#------------------------------------------------------------------------------
#$Date: 2025-07-03 03:47:34 +0300 (Thu, 03 Jul 2025) $
#$Revision: 300300 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/38/7063875.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7063875
loop_
_publ_author_name
'Guo, Feng'
'Zhang, Xiaowei'
'Wu, Jinxiu'
'Liu, Zhaogang'
_publ_section_title
;
 Chiral Eu(III) Tetrahedral Cage: Circularly Polarized Luminescence
 Induced by an Ancillary Chiral Terpyridyl Ligand
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ01193K
_journal_year                    2025
_chemical_absolute_configuration ad
_chemical_formula_moiety         '2(C118 H91 Eu2 F18 N8 O12), C2 H2 O0.5'
_chemical_formula_sum            'C238 H184 Eu4 F36 N16 O24.5'
_chemical_formula_weight         4951.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2025-05-28
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2025-05-30 deposited with the CCDC.	2025-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.616(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.7416(15)
_cell_length_b                   29.0218(7)
_cell_length_c                   46.1827(17)
_cell_measurement_reflns_used    11612
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.5890
_cell_measurement_theta_min      3.6020
_cell_volume                     42665(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1787
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  55.00   0.30   20.39    --   17.35 -99.00 -90.00  250
  2  ω      3.00  75.00   0.30   20.39    --   17.35  57.00  90.00  240
  3  ω    -16.00  45.20   0.30   20.39    --   17.35 -19.00 -90.00  204
  4  ω     -8.00  18.10   0.30   20.39    --   17.35  77.00-180.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0144997000
_diffrn_orient_matrix_UB_12      -0.0185446000
_diffrn_orient_matrix_UB_13      -0.0042110000
_diffrn_orient_matrix_UB_21      -0.0168994000
_diffrn_orient_matrix_UB_22      0.0159284000
_diffrn_orient_matrix_UB_23      -0.0048314000
_diffrn_orient_matrix_UB_31      -0.0004359000
_diffrn_orient_matrix_UB_32      0.0000910000
_diffrn_orient_matrix_UB_33      -0.0154907000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0852
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            61811
_diffrn_reflns_point_group_measured_fraction_full 0.819
_diffrn_reflns_point_group_measured_fraction_max 0.819
_diffrn_reflns_theta_full        20.000
_diffrn_reflns_theta_max         20.000
_diffrn_reflns_theta_min         3.276
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.632
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    0.771
_exptl_crystal_description       block
_exptl_crystal_F_000             9984
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.857
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2682
_refine_ls_number_reflns         32601
_refine_ls_number_restraints     7342
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0902
_refine_ls_shift/su_max          2.110
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1874P)²+27.5142P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2509
_refine_ls_wR_factor_ref         0.2888
_reflns_Friedel_coverage         0.605
_reflns_Friedel_fraction_full    0.634
_reflns_Friedel_fraction_max     0.634
_reflns_number_gt                22685
_reflns_number_total             32601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj01193k2.cif
_cod_data_source_block           20210525-ldf-c6
_cod_original_formula_sum        'C238 H184 Eu4 F36 N16 O24.50'
_cod_database_code               7063875
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.939
_shelx_estimated_absorpt_t_min   0.922
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.99(2)
 0.01(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 F15-C160 = F17-C160 = F11-C160 = F1-C110 = F7-C110 = F16-C110 = F26-C165 = F8-
 C165 = F10-C165
 1.2 with sigma of 0.01
 C228-C194 = C227-C194 = C194-C191 = C211-C191 = C211-C173 = C194-C173
 1.5 with sigma of 0.01
 C224-C216 = C223-C216
 1.5 with sigma of 0.01
 F27-C169 = F33-C169
 1.2 with sigma of 0.01
 C224-C223
 2.5 with sigma of 0.01
 C217-C223 = C223-C214
 2.5 with sigma of 0.01
 F33-F27
 2.2 with sigma of 0.02
 F7-F16 = F17-F15
 2 with sigma of 0.02
 C175-F27
 2.2 with sigma of 0.01
 F18-C199 = F22-C199 = F25-C199
 1.2 with sigma of 0.01
 Eu4-C182
 3.5 with sigma of 0.01
 C170-C140 = C202-C170
 1.25 with sigma of 0.01
 C202-C201
 1.46 with sigma of 0.01
 F23-C201 = F29-C201 = F28-C201
 1.2 with sigma of 0.01
 F29-F28 = F29-F23
 2.2 with sigma of 0.01
 F25-F22 = F22-F18
 2.2 with sigma of 0.01
 F22-C172 = C172-F25
 2.2 with sigma of 0.02
 F18-C172
 2.2 with sigma of 0.02
 C199-C172
 1.46 with sigma of 0.01
 C165-C136
 1.46 with sigma of 0.01
 F28-C202 = C202-F23
 2.2 with sigma of 0.01
 C203-C182
 1.46 with sigma of 0.01
 F30-C203 = F32-C203 = F31-C203
 1.2 with sigma of 0.01
 F30-F32 = F32-F31
 2.2 with sigma of 0.01
 F25-F18 = F18-F22
 2.2 with sigma of 0.01
 F31-C182 = C182-F32
 2.2 with sigma of 0.01
 C215-C217 = C215-C214 = C214-C216 = C217-C216
 1.6 with sigma of 0.01
 C167-C163 = C179-C167 = C179-C174 = C174-C163
 1.5 with sigma of 0.01
 C217-C216 = C215-C217 = C215-C214 = C214-C216
 1.5 with sigma of 0.01
 C219-C197 = C197-C190 = C220-C190 = C220-C219
 1.5 with sigma of 0.01
 F30-F31
 2.2 with sigma of 0.01
 F32-C182 = C182-F30
 2.2 with sigma of 0.01
 C182-F31
 2.2 with sigma of 0.01
 F14-F4 = F14-F13
 2.2 with sigma of 0.02
 F13-C229 = F14-C229 = F4-C229
 1.2 with sigma of 0.02
 F2-C40 = F9-C40 = F6-C40
 1.2 with sigma of 0.01
 C175-C169
 1.46 with sigma of 0.01
 C229-C133
 1.46 with sigma of 0.01
 C31-C140
 1.46 with sigma of 0.01
 F14-C133 = C133-F4
 2.2 with sigma of 0.02
 C133-F13
 2.2 with sigma of 0.02
 C175-C134
 1.4 with sigma of 0.01
 C175-F33
 2.2 with sigma of 0.01
 C40-C19
 1.46 with sigma of 0.01
 F6-C19 = C19-F9
 2.2 with sigma of 0.01
 C19-F2
 2.2 with sigma of 0.01
 F3-F20 = F20-F12
 2.2 with sigma of 0.01
 C193-C166 = C193-C164 = C198-C193 = C200-C193 = C200-C176 = C198-C176
 1.5 with sigma of 0.01
 C222-C219 = C221-C219
 1.5 with sigma of 0.01
 C222-C197 = C197-C221
 2.5 with sigma of 0.01
 C222-C221
 2.5 with sigma of 0.01
 C217-C224 = C224-C214
 2.5 with sigma of 0.01
 C212-C196 = C213-C212 = C212-C187 = C212-C143 = C185-C143 = C187-C185
 1.5 with sigma of 0.01
 C225-C189 = C226-C225 = C225-C178 = C225-C195 = C195-C177 = C178-C177
 1.5 with sigma of 0.01
 C234-C233 = C233-C230 = C233-C181 = C233-C231 = C231-C192 = C192-C181
 1.5 with sigma of 0.01
 C210-C179 = C209-C179
 1.5 with sigma of 0.01
 C81-C161
 1.5 with sigma of 0.01
 F28-F23
 2.2 with sigma of 0.01
 C218-C214
 1.5 with sigma of 0.01
 C125-C186
 1.4 with sigma of 0.01
 C77-C220
 2.5 with sigma of 0.01
 C77-C0AA = C220-C0AA
 1.45 with sigma of 0.01
 C186-C191
 1.4 with sigma of 0.01
 C39-C117
 1.43 with sigma of 0.01
 C58-C90
 1.46 with sigma of 0.01
 C117-C
 1.45 with sigma of 0.01
 F237-C
 1.27 with sigma of 0.01
 F235-C
 1.27 with sigma of 0.01
 F238-C
 1.27 with sigma of 0.01
 F19-C169
 1.22 with sigma of 0.01
 F19-C169 \\sim F27A-C169 \\sim F27-C169 \\sim F33-C169 \\sim F33A-C169 \\sim
F19A-C169
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.1 and sigma
for terminal atoms of 0.2
Uanis(C) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(C23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F27) \\sim Ueq, Uanis(F33) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.001
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C169, F19A, F27A, F33A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C169, F27, F33, F19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
6. Others
 Sof(F19A)=Sof(F27A)=Sof(F33A)=1-FVAR(1)
 Sof(F27)=Sof(F33)=Sof(F19)=FVAR(1)
 Fixed X: Eu3(0.508121)
 Fixed Y: Eu3(0.561851)
 Fixed Z: Eu3(0.664221)
7.a Riding coordinates:
 C223(H22P,H22Q,H22R), C227(H22D,H22E,H22F)
7.b Ternary CH refined with riding coordinates:
 C143(H143), C167(H167), C173(H173), C174(H174), C178(H178), C181(H181),
 C187(H187), C191(H191), C195(H195), C197(H197), C198(H198), C200(H200),
 C214(H214), C217(H217), C220(H220), C231(H231)
7.c Secondary CH2 refined with riding coordinates:
 C163(H16C,H16D), C168(H16A,H16B), C176(H17C,H17D), C177(H17A,H17B), C180(H18H,
 H18I), C184(H18A,H18B), C185(H18C,H18D), C188(H18J,H18K), C190(H19F,H19G),
 C192(H19A,H19B), C211(H21A,H21B), C215(H21I,H21J), C218(H21K,H21L), C232(H23D,
 H23E)
7.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C42(H42), C84(H84), C89(H89), C80(H80), C7(H7), C22(H22),
 C146(H146), C145(H145), C9(H9), C10(H10), C11(H11), C13(H13), C15(H15),
 C16(H16), C17(H17), C21(H21), C235(H235), C27(H27), C29(H29), C30(H30),
 C34(H34), C116(H116), C171(H171), C142(H142), C64(H64), C67(H67), C139(H139),
 C122(H122), C37(H37), C38(H38), C39(H39), C44(H44), C45(H45), C47(H47),
 C48(H48), C51(H51), C53(H53), C54(H54), C55(H55), C60(H60), C63(H63), C66(H66),
  C68(H68), C71(H71), C74(H74), C76(H76), C79(H79), C83(H83), C85(H85),
 C86(H86), C91(H91), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C99(H99),
  C101(H101), C102(H102), C103(H103), C105(H105), C106(H106), C108(H108),
 C112(H112), C115(H115), C118(H118), C121(H121), C124(H124), C127(H127),
 C128(H128), C131(H131), C132(H132), C134(H134), C137(H137), C141(H141),
 C148(H148), C152(H152), C153(H153), C154(H154), C157(H157), C158(H158),
 C159(H159), C170(H170), C183(H183), C186(H186), C204(H204), C207(H207),
 C0AA(H0AA), C23(H23), C25(H25)
7.e Fitted hexagon refined as free rotating group:
 N3(C1,C238,C3,C4,C5), C6(C42,C84,C81,C89,C80), C7(C22,C24,C146,C145,C32),
 C8(C9,C10,C11,C12,N4), N5(C14,C15,C16,C17,C18), C235(C27,C28,C29,C30,C31),
 C34(C116,C149,C171,C142,C82), C35(C64,C67,C43,C139,C122), C44(C45,C46,C47,C48,
 C49), N7(C52,C53,C54,C55,C56), N8(C59,C60,C61,C62,C63), N9(C70,C71,C72,C73,
 C74), N10(C75,C76,C77,C78,C79), N11(C96,C97,C98,C99,C100), C103(C104,C105,C106,
 C107,C108), C111(N12,C112,C113,C114,C115), N13(C123,C124,C125,C126,C127),
 N15(C151,C152,C153,C154,C155), N16(C204,C205,C206,C207,C208)
7.f Idealised Me refined as rotating group:
 C164(H16E,H16F,H16G), C166(H16H,H16I,H16J), C189(H18E,H18F,H18G), C196(H19C,
 H19D,H19E), C209(H20A,H20B,H20C), C210(H21F,H21G,H21H), C213(H21C,H21D,H21E),
 C221(H22J,H22K,H22L), C222(H22M,H22N,H22O), C224(H22S,H22T,H22U), C226(H22A,
 H22B,H22C), C228(H22G,H22H,H22I), C230(H23A,H23B,H23C), C234(H23F,H23G,H23H)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.097
_oxdiff_exptl_absorpt_empirical_full_min 0.605
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 1.00993(5) 0.93660(6) 0.84062(3) 0.0971(5) Uani 1 1 d . U . . .
Eu2 Eu 0.76661(4) 0.59498(6) 0.92907(4) 0.1035(5) Uani 1 1 d . U . . .
Eu3 Eu 0.508121 0.561851 0.664221 0.0970(5) Uani 1 1 d . U . . .
Eu4 Eu 0.73338(5) 0.90896(7) 0.55540(4) 0.1162(6) Uani 1 1 d D U . . .
O1 O 0.8278(5) 0.6061(6) 0.9180(4) 0.108(4) Uani 1 1 d . U . . .
O26 O 0.7951(5) 0.6704(5) 0.9469(4) 0.096(4) Uani 1 1 d . U . . .
O3 O 0.9862(6) 1.0128(6) 1.1371(4) 0.112(5) Uani 1 1 d . U . . .
O4 O 0.5593(5) 0.5699(6) 0.6413(3) 0.100(4) Uani 1 1 d . U . . .
O5 O 0.9619(5) 0.9336(6) 1.1030(4) 0.100(4) Uani 1 1 d . U . . .
O6 O 0.4963(6) 0.4856(6) 0.3609(4) 0.114(5) Uani 1 1 d . U . . .
O7 O 0.5317(5) 0.5640(6) 0.3920(4) 0.098(4) Uani 1 1 d . U . . .
N1 N 0.8978(6) 0.8558(6) 0.9637(4) 0.089(4) Uani 1 1 d . U . . .
O8 O 0.9533(5) 0.9291(6) 0.8578(3) 0.099(4) Uani 1 1 d . U . . .
O9 O 0.3282(5) 0.9105(7) 0.4930(4) 0.113(5) Uani 1 1 d . U . . .
O10 O 1.1768(5) 0.5877(6) 1.0203(4) 0.103(4) Uani 1 1 d . U . . .
O11 O 0.4975(6) 0.6115(6) 0.7042(4) 0.124(4) Uani 1 1 d . U . . .
O12 O 1.0352(6) 0.8888(6) 0.8087(4) 0.116(4) Uani 1 1 d . U . . .
O13 O 0.7082(6) 0.8304(7) 0.5444(5) 0.120(5) Uani 1 1 d . U . . .
O14 O 0.9504(6) 0.8972(6) 0.7992(4) 0.112(4) Uani 1 1 d . U . . .
O15 O 0.5731(6) 0.5957(7) 0.7017(4) 0.117(4) Uani 1 1 d . U . . .
O16 O 0.5031(6) 0.6413(6) 0.6468(4) 0.105(4) Uani 1 1 d . U . . .
N2 N 1.0032(6) 0.6654(7) 0.9194(5) 0.102(5) Uani 1 1 d . U . . .
N3 N 1.0923(4) 0.9366(6) 0.8627(4) 0.112(4) Uani 1 1 d G U . . .
C1 C 1.1143(6) 0.9072(6) 0.8876(4) 0.128(7) Uani 1 1 d G U . . .
H1 H 1.101078 0.894315 0.899613 0.154 Uiso 1 1 calc R U . . .
C238 C 1.1562(6) 0.8970(6) 0.8945(4) 0.135(7) Uani 1 1 d G U . . .
C3 C 1.1760(4) 0.9163(7) 0.8766(5) 0.137(7) Uani 1 1 d G U . . .
C4 C 1.1540(6) 0.9457(7) 0.8517(4) 0.137(8) Uani 1 1 d G U . . .
H4 H 1.167250 0.958636 0.839679 0.164 Uiso 1 1 calc R U . . .
C5 C 1.1121(5) 0.9559(6) 0.8448(3) 0.112(6) Uani 1 1 d G U . . .
O17 O 0.7540(5) 0.5625(7) 0.8773(5) 0.123(4) Uani 1 1 d . U . . .
O18 O 0.7330(5) 0.6336(6) 0.9599(4) 0.114(4) Uani 1 1 d . U . . .
C6 C 1.0108(5) 0.7047(5) 0.9049(4) 0.097(6) Uani 1 1 d G U . . .
C42 C 1.0428(5) 0.7034(5) 0.8940(4) 0.107(6) Uani 1 1 d G U . . .
H42 H 1.060340 0.677767 0.898189 0.128 Uiso 1 1 calc R U . . .
C84 C 1.0487(5) 0.7402(6) 0.8770(4) 0.109(7) Uani 1 1 d G U . . .
H84 H 1.070090 0.739320 0.869788 0.131 Uiso 1 1 calc R U . . .
C81 C 1.0225(5) 0.7785(5) 0.8708(4) 0.100(6) Uani 1 1 d DG U . . .
C89 C 0.9905(5) 0.7799(5) 0.8817(4) 0.103(6) Uani 1 1 d G U . . .
H89 H 0.973037 0.805484 0.877512 0.124 Uiso 1 1 calc R U . . .
C80 C 0.9847(5) 0.7430(6) 0.8987(4) 0.105(6) Uani 1 1 d G U . . .
H80 H 0.963286 0.743931 0.905913 0.126 Uiso 1 1 calc R U . . .
C7 C 0.9098(5) 0.6240(6) 0.9319(3) 0.103(6) Uani 1 1 d G U . . .
H7 H 0.901939 0.616720 0.948383 0.124 Uiso 1 1 calc R U . . .
C22 C 0.9503(4) 0.6394(6) 0.9383(3) 0.107(7) Uani 1 1 d G U . . .
H22 H 0.969536 0.642422 0.959166 0.129 Uiso 1 1 calc R U . . .
C24 C 0.9619(4) 0.6503(6) 0.9137(4) 0.092(5) Uani 1 1 d G U . . .
C146 C 0.9331(5) 0.6458(6) 0.8826(3) 0.107(7) Uani 1 1 d G U . . .
H146 H 0.940929 0.653129 0.866066 0.129 Uiso 1 1 calc R U . . .
C145 C 0.8926(5) 0.6304(6) 0.8761(3) 0.113(7) Uani 1 1 d G U . . .
H145 H 0.873333 0.627427 0.855283 0.135 Uiso 1 1 calc R U . . .
C32 C 0.8809(4) 0.6195(6) 0.9008(4) 0.098(6) Uani 1 1 d G U . . .
O19 O 1.2031(6) 0.5165(6) 1.0653(5) 0.125(5) Uani 1 1 d . U . . .
C8 C 0.6678(6) 0.6160(5) 0.8687(4) 0.117(6) Uani 1 1 d G U . . .
C9 C 0.6253(6) 0.6108(6) 0.8498(4) 0.136(8) Uani 1 1 d G U . . .
H9 H 0.613091 0.627702 0.831202 0.163 Uiso 1 1 calc R U . . .
C10 C 0.6011(4) 0.5804(7) 0.8587(5) 0.144(8) Uani 1 1 d G U . . .
H10 H 0.572672 0.576916 0.846019 0.172 Uiso 1 1 calc R U . . .
C11 C 0.6194(5) 0.5552(6) 0.8864(5) 0.135(8) Uani 1 1 d G U . . .
H11 H 0.603191 0.534800 0.892373 0.162 Uiso 1 1 calc R U . . .
C12 C 0.6619(5) 0.5604(6) 0.9053(4) 0.118(6) Uani 1 1 d G U . . .
N4 N 0.6861(4) 0.5908(6) 0.8965(4) 0.115(4) Uani 1 1 d G U . . .
C13 C 0.9382(7) 0.8853(8) 1.0475(6) 0.082(5) Uani 1 1 d . U . . .
H13 H 0.940696 0.870714 1.066103 0.098 Uiso 1 1 calc R U . . .
N5 N 1.0448(6) 0.9889(5) 0.8119(3) 0.112(4) Uani 1 1 d G U . . .
C14 C 1.0870(5) 0.9832(5) 0.8176(3) 0.109(5) Uani 1 1 d G U . . .
C15 C 1.1040(5) 1.0065(6) 0.7992(4) 0.120(7) Uani 1 1 d G U . . .
H15 H 1.132237 1.002631 0.803022 0.144 Uiso 1 1 calc R U . . .
C16 C 1.0789(6) 1.0355(6) 0.7751(4) 0.127(7) Uani 1 1 d G U . . .
H16 H 1.090343 1.051066 0.762768 0.153 Uiso 1 1 calc R U . . .
C17 C 1.0368(6) 1.0412(6) 0.7693(4) 0.133(7) Uani 1 1 d G U . . .
H17 H 1.019985 1.060641 0.753208 0.160 Uiso 1 1 calc R U . . .
C18 C 1.0197(5) 1.0179(6) 0.7877(4) 0.118(6) Uani 1 1 d G U . . .
C19 C 0.9883(8) 1.0308(5) 1.1115(6) 0.120(6) Uani 1 1 d D U . . .
C20 C 0.5949(8) 0.6084(9) 0.6158(6) 0.095(6) Uani 1 1 d . U . . .
C21 C 0.9242(8) 0.8604(8) 1.0209(5) 0.089(5) Uani 1 1 d . U . . .
H21 H 0.919142 0.828983 1.021328 0.107 Uiso 1 1 calc R U . . .
O20 O 1.0139(6) 0.8582(6) 0.8580(4) 0.103(4) Uani 1 1 d . U . . .
N6 N 0.5087(6) 0.8312(8) 0.5804(5) 0.113(5) Uani 1 1 d . U . . .
C26 C 0.5514(8) 0.5683(9) 0.4461(6) 0.096(5) Uani 1 1 d . U . . .
F1 F 0.6630(8) 0.6590(10) 0.7284(5) 0.233(9) Uani 1 1 d D U . . .
C236 C 0.8711(7) 0.8176(8) 0.9634(5) 0.084(5) Uani 1 1 d . U . . .
O21 O 0.7515(6) 0.9425(7) 0.6073(5) 0.136(5) Uani 1 1 d . U . . .
C235 C 0.5231(5) 0.7156(5) 0.6178(4) 0.103(6) Uani 1 1 d G U . . .
H235 H 0.536699 0.688065 0.617513 0.124 Uiso 1 1 calc R U . . .
C27 C 0.5249(5) 0.7523(6) 0.5990(4) 0.114(7) Uani 1 1 d G U . . .
H27 H 0.539799 0.749381 0.586287 0.137 Uiso 1 1 calc R U . . .
C28 C 0.5046(6) 0.7934(5) 0.5994(4) 0.105(6) Uani 1 1 d G U . . .
C29 C 0.4823(6) 0.7977(5) 0.6185(5) 0.128(7) Uani 1 1 d G U . . .
H29 H 0.468714 0.825217 0.618706 0.154 Uiso 1 1 calc R U . . .
C30 C 0.4805(6) 0.7610(6) 0.6372(4) 0.124(7) Uani 1 1 d G U . . .
H30 H 0.465614 0.763902 0.649933 0.149 Uiso 1 1 calc R U . . .
C31 C 0.5008(6) 0.7199(5) 0.6368(4) 0.102(5) Uani 1 1 d DG U . . .
F2 F 1.0368(8) 1.0842(8) 1.1327(6) 0.248(9) Uani 1 1 d D U . . .
C33 C 0.9262(8) 0.8985(9) 0.8531(6) 0.101(6) Uani 1 1 d . U . . .
C34 C 1.0736(5) 0.6645(4) 0.9625(4) 0.101(6) Uani 1 1 d G U . . .
H34 H 1.075265 0.696345 0.961129 0.122 Uiso 1 1 calc R U . . .
C116 C 1.1069(4) 0.6400(6) 0.9844(3) 0.095(5) Uani 1 1 d G U . . .
H116 H 1.130963 0.655498 0.997685 0.114 Uiso 1 1 calc R U . . .
C149 C 1.1044(4) 0.5924(6) 0.9864(4) 0.105(6) Uani 1 1 d G U . . .
C171 C 1.0685(5) 0.5693(4) 0.9665(4) 0.123(8) Uani 1 1 d G U . . .
H171 H 1.066848 0.537410 0.967828 0.147 Uiso 1 1 calc R U . . .
C142 C 1.0352(4) 0.5937(6) 0.9446(4) 0.111(6) Uani 1 1 d G U . . .
H142 H 1.011149 0.578256 0.931272 0.133 Uiso 1 1 calc R U . . .
C82 C 1.0377(4) 0.6413(6) 0.9426(4) 0.097(6) Uani 1 1 d G U . . .
C35 C 0.9043(5) 0.8664(5) 0.9363(3) 0.081(5) Uani 1 1 d G U . . .
C64 C 0.9432(4) 0.8817(5) 0.9383(3) 0.089(5) Uani 1 1 d G U . . .
H64 H 0.965365 0.884982 0.957992 0.107 Uiso 1 1 calc R U . . .
C67 C 0.9491(4) 0.8922(5) 0.9110(4) 0.094(6) Uani 1 1 d G U . . .
H67 H 0.975156 0.902476 0.912392 0.113 Uiso 1 1 calc R U . . .
C43 C 0.9161(5) 0.8874(5) 0.8816(3) 0.089(5) Uani 1 1 d G U . . .
C139 C 0.8771(4) 0.8721(6) 0.8795(3) 0.106(7) Uani 1 1 d G U . . .
H139 H 0.855012 0.868816 0.859885 0.127 Uiso 1 1 calc R U . . .
C122 C 0.8713(4) 0.8616(6) 0.9069(4) 0.117(8) Uani 1 1 d G U . . .
H122 H 0.845220 0.851322 0.905485 0.141 Uiso 1 1 calc R U . . .
C36 C 0.4012(8) 0.9065(10) 0.5217(7) 0.109(6) Uani 1 1 d . U . . .
C37 C 0.5817(8) 0.5738(9) 0.5038(6) 0.099(6) Uani 1 1 d . U . . .
H37 H 0.588968 0.559145 0.523178 0.119 Uiso 1 1 calc R U . . .
C38 C 0.8764(7) 0.7764(7) 0.9515(5) 0.085(5) Uani 1 1 d . U . . .
H38 H 0.897223 0.772583 0.943867 0.103 Uiso 1 1 calc R U . . .
C39 C 0.9058(9) 0.8755(10) 0.8251(6) 0.127(8) Uani 1 1 d D U . . .
H39 H 0.881625 0.859039 0.822505 0.153 Uiso 1 1 calc R U . . .
C40 C 1.0013(8) 1.0789(6) 1.1124(5) 0.172(7) Uani 1 1 d D U . . .
C41 C 0.8186(8) 0.7451(8) 0.9633(6) 0.092(6) Uani 1 1 d . U . . .
O22 O 0.6781(6) 0.8983(6) 0.5724(4) 0.120(4) Uani 1 1 d . U . . .
C44 C 0.6533(6) 0.7613(5) 0.5426(4) 0.112(7) Uani 1 1 d G U . . .
H44 H 0.650600 0.789160 0.551593 0.135 Uiso 1 1 calc R U . . .
C45 C 0.6290(5) 0.7237(6) 0.5435(4) 0.111(7) Uani 1 1 d G U . . .
H45 H 0.609997 0.726421 0.552993 0.133 Uiso 1 1 calc R U . . .
C46 C 0.6330(5) 0.6820(5) 0.5301(4) 0.101(5) Uani 1 1 d G U . . .
C47 C 0.6613(6) 0.6780(5) 0.5159(4) 0.116(7) Uani 1 1 d G U . . .
H47 H 0.663989 0.650080 0.506940 0.139 Uiso 1 1 calc R U . . .
C48 C 0.6856(5) 0.7155(6) 0.5151(4) 0.118(7) Uani 1 1 d G U . . .
H48 H 0.704593 0.712818 0.505541 0.142 Uiso 1 1 calc R U . . .
C49 C 0.6816(6) 0.7572(5) 0.5284(5) 0.115(6) Uani 1 1 d G U . . .
C50 C 0.9175(7) 0.8824(8) 0.9926(5) 0.082(5) Uani 1 1 d . U . . .
C51 C 0.5643(8) 0.5481(9) 0.4760(6) 0.096(6) Uani 1 1 d . U . . .
H51 H 0.561125 0.516416 0.477372 0.115 Uiso 1 1 calc R U . . .
N7 N 0.4736(5) 0.5032(5) 0.6895(3) 0.110(4) Uani 1 1 d G U . . .
C52 C 0.4319(5) 0.5075(6) 0.6856(4) 0.115(6) Uani 1 1 d G U . . .
C53 C 0.4157(4) 0.4782(7) 0.7018(4) 0.122(7) Uani 1 1 d G U . . .
H53 H 0.387855 0.481058 0.699188 0.146 Uiso 1 1 calc R U . . .
C54 C 0.4412(6) 0.4447(6) 0.7219(4) 0.121(7) Uani 1 1 d G U . . .
H54 H 0.430354 0.425125 0.732734 0.146 Uiso 1 1 calc R U . . .
C55 C 0.4828(6) 0.4404(5) 0.7258(4) 0.121(6) Uani 1 1 d G U . . .
H55 H 0.499872 0.418015 0.739273 0.145 Uiso 1 1 calc R U . . .
C56 C 0.4990(4) 0.4697(6) 0.7096(4) 0.108(5) Uani 1 1 d G U . . .
C57 C 0.8393(8) 0.6003(9) 0.8957(6) 0.096(5) Uani 1 1 d . U . . .
C58 C 0.9491(6) 0.9316(8) 1.0492(4) 0.075(4) Uani 1 1 d D U . . .
N8 N 0.5574(5) 0.4988(5) 0.7019(4) 0.115(5) Uani 1 1 d G U . . .
C59 C 0.5387(5) 0.4612(7) 0.7097(4) 0.110(5) Uani 1 1 d G U . . .
C60 C 0.5598(6) 0.4192(5) 0.7173(4) 0.127(6) Uani 1 1 d G U . . .
H60 H 0.547243 0.394054 0.722478 0.153 Uiso 1 1 calc R U . . .
C61 C 0.5995(6) 0.4150(6) 0.7170(4) 0.131(6) Uani 1 1 d G U . . .
C62 C 0.6182(5) 0.4526(8) 0.7092(5) 0.140(6) Uani 1 1 d G U . . .
C63 C 0.5971(6) 0.4945(6) 0.7017(4) 0.128(7) Uani 1 1 d G U . . .
H63 H 0.609658 0.519705 0.696468 0.154 Uiso 1 1 calc R U . . .
O25 O 0.7608(6) 0.8707(7) 0.5206(5) 0.136(5) Uani 1 1 d . U . . .
C65 C 0.5881(8) 0.6193(9) 0.5030(6) 0.095(5) Uani 1 1 d . U . . .
C66 C 0.5759(9) 0.6411(10) 0.4752(6) 0.110(7) Uani 1 1 d . U . . .
H66 H 0.580585 0.672616 0.474867 0.132 Uiso 1 1 calc R U . . .
C68 C 0.8498(7) 0.7396(8) 0.9511(5) 0.081(5) Uani 1 1 d . U . . .
H68 H 0.852674 0.711362 0.942599 0.097 Uiso 1 1 calc R U . . .
C69 C 0.5887(8) 0.5971(9) 0.6446(6) 0.093(5) Uani 1 1 d . U . . .
N9 N 0.7260(5) 0.5392(6) 0.9486(4) 0.125(4) Uani 1 1 d G U . . .
C70 C 0.6823(5) 0.5381(6) 0.9350(4) 0.116(6) Uani 1 1 d G U . . .
C71 C 0.6606(4) 0.5148(7) 0.9501(5) 0.134(7) Uani 1 1 d G U . . .
H71 H 0.631351 0.514052 0.940968 0.161 Uiso 1 1 calc R U . . .
C72 C 0.6824(6) 0.4927(6) 0.9787(5) 0.137(7) Uani 1 1 d G U . . .
C73 C 0.7261(6) 0.4938(7) 0.9923(4) 0.143(7) Uani 1 1 d G U . . .
C74 C 0.7479(4) 0.5171(7) 0.9772(5) 0.132(7) Uani 1 1 d G U . . .
H74 H 0.777061 0.517815 0.986309 0.159 Uiso 1 1 calc R U . . .
N10 N 0.7637(7) 0.9659(7) 0.5263(5) 0.147(5) Uani 1 1 d G U . . .
C75 C 0.8069(6) 0.9714(8) 0.5368(5) 0.156(8) Uani 1 1 d G U . . .
C76 C 0.8238(6) 0.9916(9) 0.5172(6) 0.193(11) Uani 1 1 d G U . . .
H76 H 0.852704 0.995287 0.524206 0.232 Uiso 1 1 calc R U . . .
C77 C 0.7974(9) 1.0061(9) 0.4871(6) 0.200(10) Uani 1 1 d DG U . . .
C78 C 0.7542(8) 1.0006(10) 0.4766(5) 0.206(9) Uani 1 1 d G U . . .
C79 C 0.7374(5) 0.9804(8) 0.4962(6) 0.176(10) Uani 1 1 d G U . . .
H79 H 0.708446 0.976728 0.489195 0.211 Uiso 1 1 calc R U . . .
C83 C 0.9274(8) 0.9274(8) 0.9940(6) 0.094(6) Uani 1 1 d . U . . .
H83 H 0.923340 0.942232 0.975127 0.113 Uiso 1 1 calc R U . . .
C85 C 0.5548(8) 0.6156(9) 0.4444(6) 0.101(6) Uani 1 1 d . U . . .
H85 H 0.544532 0.630969 0.425102 0.121 Uiso 1 1 calc R U . . .
F3 F 1.0862(9) 0.7979(6) 0.7921(6) 0.226(8) Uani 1 1 d D U . . .
C86 C 0.9430(7) 0.9529(8) 1.0211(5) 0.087(5) Uani 1 1 d . U . . .
H86 H 0.949434 0.983914 1.020562 0.104 Uiso 1 1 calc R U . . .
C87 C 0.3642(10) 0.9297(11) 0.5003(7) 0.121(7) Uani 1 1 d . U . . .
C88 C 0.7901(8) 0.7047(9) 0.9613(7) 0.099(6) Uani 1 1 d . U . . .
C90 C 0.9607(7) 0.9572(8) 1.0789(5) 0.092(5) Uani 1 1 d D U . . .
F4 F 1.1191(7) 0.4493(8) 1.0493(7) 0.272(11) Uani 1 1 d D U . . .
C91 C 0.4403(9) 0.9265(11) 0.5391(7) 0.128(8) Uani 1 1 d . U . . .
H91 H 0.442445 0.958086 0.536910 0.154 Uiso 1 1 calc R U . . .
C92 C 0.8141(8) 0.7880(8) 0.9753(6) 0.098(6) Uani 1 1 d . U . . .
H92 H 0.793993 0.793001 0.983525 0.118 Uiso 1 1 calc R U . . .
C93 C 0.9735(8) 1.0033(9) 1.0825(6) 0.102(6) Uani 1 1 d . U . . .
H93 H 0.972500 1.018202 1.064428 0.122 Uiso 1 1 calc R U . . .
F5 F 0.7665(8) 0.5332(11) 0.8105(6) 0.247(9) Uani 1 1 d . U . . .
F6 F 1.0054(9) 1.0897(6) 1.0885(5) 0.211(7) Uani 1 1 d D U . . .
F7 F 0.6492(8) 0.6079(11) 0.7522(5) 0.249(9) Uani 1 1 d D U . . .
C94 C 0.4751(9) 0.9045(10) 0.5588(7) 0.123(7) Uani 1 1 d . U . . .
H94 H 0.499683 0.920625 0.570192 0.148 Uiso 1 1 calc R U . . .
C95 C 0.6313(8) 0.6262(10) 0.6152(6) 0.119(8) Uani 1 1 d . U . . .
H95 H 0.653900 0.631278 0.634353 0.142 Uiso 1 1 calc R U . . .
N11 N 0.7344(6) 0.6535(6) 0.8834(4) 0.121(4) Uani 1 1 d G U . . .
C96 C 0.7612(5) 0.6846(7) 0.8780(5) 0.136(8) Uani 1 1 d G U . . .
H96 H 0.788557 0.688282 0.893002 0.163 Uiso 1 1 calc R U . . .
C97 C 0.7473(7) 0.7100(7) 0.8502(6) 0.171(9) Uani 1 1 d G U . . .
C98 C 0.7065(8) 0.7044(8) 0.8278(4) 0.175(10) Uani 1 1 d G U . . .
C99 C 0.6796(5) 0.6734(8) 0.8332(5) 0.154(9) Uani 1 1 d G U . . .
H99 H 0.652309 0.669686 0.818198 0.185 Uiso 1 1 calc R U . . .
C100 C 0.6935(5) 0.6480(6) 0.8610(5) 0.124(7) Uani 1 1 d G U . . .
F8 F 0.4897(8) 0.4075(7) 0.4124(5) 0.201(7) Uani 1 1 d D U . . .
C101 C 0.5626(8) 0.6021(9) 0.5865(5) 0.101(6) Uani 1 1 d . U . . .
H101 H 0.537528 0.589258 0.585360 0.122 Uiso 1 1 calc R U . . .
F9 F 0.9794(10) 1.1041(6) 1.1207(8) 0.253(9) Uani 1 1 d D U . . .
C102 C 0.5184(9) 0.4990(9) 0.4145(6) 0.108(7) Uani 1 1 d . U . . .
H102 H 0.519575 0.486009 0.433238 0.130 Uiso 1 1 calc R U . . .
C103 C 0.6203(5) 0.8707(7) 0.6191(3) 0.125(8) Uani 1 1 d G U . . .
H103 H 0.641141 0.873993 0.639271 0.150 Uiso 1 1 calc R U . . .
C104 C 0.6284(4) 0.8823(6) 0.5928(4) 0.107(6) Uani 1 1 d G U . . .
C105 C 0.5971(5) 0.8773(6) 0.5626(4) 0.112(7) Uani 1 1 d G U . . .
H105 H 0.602579 0.885133 0.545095 0.135 Uiso 1 1 calc R U . . .
C106 C 0.5578(5) 0.8607(7) 0.5586(3) 0.124(8) Uani 1 1 d G U . . .
H106 H 0.536913 0.857407 0.538400 0.149 Uiso 1 1 calc R U . . .
C107 C 0.5497(4) 0.8491(7) 0.5848(4) 0.110(6) Uani 1 1 d G U . . .
C108 C 0.5809(5) 0.8541(7) 0.6150(4) 0.125(8) Uani 1 1 d G U . . .
H108 H 0.575475 0.846267 0.632576 0.150 Uiso 1 1 calc R U . . .
C109 C 0.5324(8) 0.5419(9) 0.4159(6) 0.097(6) Uani 1 1 d . U . . .
F10 F 0.5076(10) 0.3979(7) 0.3766(6) 0.235(8) Uani 1 1 d D U . . .
F11 F 0.7506(8) 0.9540(12) 0.6802(5) 0.254(9) Uani 1 1 d D U . . .
C110 C 0.6350(10) 0.6375(11) 0.7316(6) 0.191(8) Uani 1 1 d D U . . .
C111 C 0.4076(6) 0.5408(6) 0.6639(4) 0.119(6) Uani 1 1 d G U . . .
N12 N 0.4288(4) 0.5707(6) 0.6518(4) 0.116(5) Uani 1 1 d G U . . .
C112 C 0.4075(6) 0.6070(6) 0.6324(4) 0.120(7) Uani 1 1 d G U . . .
H112 H 0.421727 0.627015 0.624373 0.144 Uiso 1 1 calc R U . . .
C113 C 0.3650(6) 0.6135(7) 0.6250(5) 0.156(8) Uani 1 1 d G U . . .
C114 C 0.3437(4) 0.5837(8) 0.6371(6) 0.169(9) Uani 1 1 d G U . . .
C115 C 0.3651(6) 0.5473(7) 0.6565(5) 0.154(9) Uani 1 1 d G U . . .
H115 H 0.350843 0.527351 0.664532 0.185 Uiso 1 1 calc R U . . .
F12 F 1.0421(7) 0.8334(8) 0.7605(4) 0.207(7) Uani 1 1 d D U . . .
C117 C 0.9195(10) 0.8753(11) 0.7998(6) 0.135(7) Uani 1 1 d D U . . .
C118 C 1.1345(9) 0.5265(10) 1.0241(7) 0.118(7) Uani 1 1 d . U . . .
H118 H 1.107322 0.514790 1.016076 0.141 Uiso 1 1 calc R U . . .
C119 C 1.1408(9) 0.5682(10) 1.0110(7) 0.112(6) Uani 1 1 d . U . . .
C120 C 1.0511(11) 0.8477(11) 0.8134(7) 0.131(6) Uani 1 1 d . U . . .
F13 F 1.1658(9) 0.4589(8) 1.0882(6) 0.264(9) Uani 1 1 d D U . . .
C121 C 0.6358(8) 0.6365(10) 0.5886(6) 0.109(7) Uani 1 1 d . U . . .
H121 H 0.661739 0.647397 0.590119 0.131 Uiso 1 1 calc R U . . .
N13 N 0.9603(6) 0.9955(5) 0.7998(4) 0.124(5) Uani 1 1 d G U . . .
C123 C 0.9755(5) 1.0254(7) 0.7833(5) 0.124(6) Uani 1 1 d G U . . .
C124 C 0.9494(8) 1.0591(6) 0.7638(4) 0.152(8) Uani 1 1 d G U . . .
H124 H 0.959554 1.079068 0.752837 0.183 Uiso 1 1 calc R U . . .
C125 C 0.9080(7) 1.0628(7) 0.7608(5) 0.165(8) Uani 1 1 d DG U . . .
C126 C 0.8928(5) 1.0329(9) 0.7773(6) 0.164(8) Uani 1 1 d G U . . .
C127 C 0.9189(6) 0.9993(7) 0.7967(5) 0.145(8) Uani 1 1 d G U . . .
H127 H 0.908739 0.979245 0.807755 0.174 Uiso 1 1 calc R U . . .
N14 N 0.6079(7) 0.6438(7) 0.5306(5) 0.105(5) Uani 1 1 d . U . . .
C128 C 0.8410(8) 0.8229(8) 0.9745(6) 0.105(7) Uani 1 1 d . U . . .
H128 H 0.838012 0.851692 0.982185 0.126 Uiso 1 1 calc R U . . .
C129 C 0.4731(8) 0.8573(10) 0.5613(6) 0.105(6) Uani 1 1 d . U . . .
F14 F 1.1787(9) 0.4243(7) 1.0529(8) 0.280(10) Uani 1 1 d D U . . .
F15 F 0.7637(9) 1.0039(11) 0.6560(6) 0.266(10) Uani 1 1 d D U . . .
C130 C 0.6049(8) 0.6320(9) 0.5597(6) 0.101(6) Uani 1 1 d . U . . .
C131 C 0.3666(11) 0.9767(12) 0.4901(9) 0.158(10) Uani 1 1 d . U . . .
H131 H 0.392431 0.990823 0.501111 0.190 Uiso 1 1 calc R U . . .
C132 C 0.3991(9) 0.8596(10) 0.5264(7) 0.118(7) Uani 1 1 d . U . . .
H132 H 0.373818 0.844169 0.516095 0.141 Uiso 1 1 calc R U . . .
F16 F 0.6169(9) 0.6656(10) 0.7418(6) 0.256(9) Uani 1 1 d D U . . .
F17 F 0.8011(8) 0.9496(11) 0.6684(6) 0.268(10) Uani 1 1 d D U . . .
C133 C 1.1658(10) 0.5005(8) 1.0484(8) 0.164(9) Uani 1 1 d D U . . .
C134 C 0.7622(9) 0.7062(9) 0.9744(8) 0.134(8) Uani 1 1 d D U . . .
H134 H 0.760915 0.733894 0.984136 0.161 Uiso 1 1 calc R U . . .
C135 C 0.7735(10) 0.5598(12) 0.8612(8) 0.136(7) Uani 1 1 d . U . . .
C136 C 0.5026(10) 0.4723(8) 0.3880(7) 0.123(7) Uani 1 1 d D U . . .
C137 C 0.5665(8) 0.6147(9) 0.5584(6) 0.111(7) Uani 1 1 d . U . . .
H137 H 0.543800 0.611461 0.539020 0.134 Uiso 1 1 calc R U . . .
C138 C 0.6698(9) 0.8992(10) 0.5956(7) 0.109(6) Uani 1 1 d . U . . .
C140 C 0.5015(10) 0.6819(8) 0.6585(5) 0.118(6) Uani 1 1 d D U . . .
F18 F 0.3786(6) 1.0610(8) 0.4692(7) 0.276(11) Uani 1 1 d D U . . .
C141 C 0.4341(8) 0.8354(10) 0.5460(7) 0.119(7) Uani 1 1 d . U . . .
H141 H 0.431707 0.804023 0.549157 0.142 Uiso 1 1 calc R U . . .
C143 C 1.1806(9) 0.8694(12) 0.9230(8) 0.159(6) Uani 1 1 d D U . . .
H143 H 1.167141 0.860309 0.937175 0.191 Uiso 1 1 calc R U . . .
C144 C 0.7060(10) 0.7996(11) 0.5266(8) 0.126(7) Uani 1 1 d . U . . .
F20 F 1.0977(7) 0.8721(6) 0.7901(5) 0.210(8) Uani 1 1 d D U . . .
C147 C 0.7513(15) 0.5401(19) 0.8308(11) 0.199(8) Uani 1 1 d . U . . .
F21 F 0.7422(11) 0.4924(11) 0.8347(7) 0.276(11) Uani 1 1 d . U . . .
C148 C 0.6096(9) 0.6178(10) 0.6726(6) 0.119(8) Uani 1 1 d . U . . .
H148 H 0.632899 0.634834 0.673927 0.143 Uiso 1 1 calc R U . . .
C150 C 0.6024(10) 0.6177(11) 0.6983(7) 0.136(7) Uani 1 1 d . U . . .
F22 F 0.3164(8) 1.0783(8) 0.4669(8) 0.298(11) Uani 1 1 d D U . . .
N15 N 0.8153(5) 0.9198(7) 0.5811(5) 0.145(5) Uani 1 1 d G U . . .
C151 C 0.8397(8) 0.8998(7) 0.6100(6) 0.154(8) Uani 1 1 d G U . . .
C152 C 0.8814(7) 0.9130(9) 0.6260(5) 0.178(10) Uani 1 1 d G U . . .
H152 H 0.897682 0.899610 0.645348 0.213 Uiso 1 1 calc R U . . .
C153 C 0.8986(5) 0.9463(9) 0.6131(6) 0.184(10) Uani 1 1 d G U . . .
H153 H 0.926491 0.955147 0.623844 0.221 Uiso 1 1 calc R U . . .
C154 C 0.8742(7) 0.9663(7) 0.5842(6) 0.168(9) Uani 1 1 d G U . . .
H154 H 0.885761 0.988591 0.575601 0.201 Uiso 1 1 calc R U . . .
C155 C 0.8325(7) 0.9531(8) 0.5682(5) 0.152(8) Uani 1 1 d G U . . .
C156 C 0.7363(11) 0.9367(14) 0.6274(8) 0.153(8) Uani 1 1 d . U . . .
F23 F 0.4637(8) 0.6576(7) 0.7402(5) 0.254(9) Uani 1 1 d D U . . .
F24 F 0.7134(9) 0.5568(15) 0.8143(6) 0.287(10) Uani 1 1 d . U . . .
C157 C 0.6979(9) 0.9206(11) 0.6220(7) 0.132(8) Uani 1 1 d . U . . .
H157 H 0.689214 0.924435 0.638464 0.159 Uiso 1 1 calc R U . . .
C158 C 0.8132(8) 0.5781(9) 0.8667(7) 0.112(7) Uani 1 1 d . U . . .
H158 H 0.823062 0.575680 0.850828 0.135 Uiso 1 1 calc R U . . .
C159 C 1.0501(9) 0.8135(10) 0.8335(6) 0.114(6) Uani 1 1 d . U . . .
H159 H 1.063306 0.785466 0.833854 0.136 Uiso 1 1 calc R U . . .
C160 C 0.7646(10) 0.9622(12) 0.6605(8) 0.220(9) Uani 1 1 d D U . . .
C161 C 1.0291(9) 0.8206(7) 0.8540(6) 0.097(5) Uani 1 1 d D U . . .
F25 F 0.3234(9) 1.0535(9) 0.4256(5) 0.283(10) Uani 1 1 d D U . . .
C162 C 1.0685(15) 0.8373(14) 0.7891(9) 0.164(6) Uani 1 1 d . U . . .
C163 C 0.6575(12) 0.4022(10) 0.6919(7) 0.162(7) Uani 1 1 d D U . . .
H16C H 0.679367 0.399642 0.683936 0.195 Uiso 1 1 calc R U . . .
H16D H 0.629880 0.396791 0.675289 0.195 Uiso 1 1 calc R U . . .
F26 F 0.4516(9) 0.4157(8) 0.3704(6) 0.224(8) Uani 1 1 d D U . . .
C164 C 0.2779(13) 0.6637(13) 0.5544(10) 0.204(12) Uani 1 1 d D U . . .
H16E H 0.297178 0.683047 0.549844 0.305 Uiso 1 1 calc R U . . .
H16F H 0.262499 0.681974 0.563486 0.305 Uiso 1 1 calc R U . . .
H16G H 0.258682 0.649695 0.535245 0.305 Uiso 1 1 calc R U . . .
C165 C 0.4886(9) 0.4238(9) 0.3875(6) 0.167(7) Uani 1 1 d D U . . .
C166 C 0.3073(14) 0.5825(12) 0.5627(9) 0.206(13) Uani 1 1 d D U . . .
H16H H 0.294392 0.584940 0.540135 0.309 Uiso 1 1 calc R U . . .
H16I H 0.294400 0.557846 0.569504 0.309 Uiso 1 1 calc R U . . .
H16J H 0.336751 0.576157 0.569314 0.309 Uiso 1 1 calc R U . . .
C167 C 0.6661(11) 0.3758(11) 0.7220(7) 0.160(6) Uani 1 1 d D U . . .
H167 H 0.683213 0.347911 0.725194 0.192 Uiso 1 1 calc R U . . .
O24 O 0.2982(7) 0.9845(6) 0.4517(5) 0.139(6) Uani 1 1 d . U . . .
C168 C 0.6629(11) 0.4708(13) 1.0000(9) 0.165(8) Uani 1 1 d . U . . .
H16A H 0.646413 0.494027 1.005000 0.198 Uiso 1 1 calc R U . . .
H16B H 0.643904 0.446480 0.988317 0.198 Uiso 1 1 calc R U . . .
C169 C 0.7081(9) 0.6747(9) 0.9942(6) 0.173(7) Uani 1 1 d D U . . .
C170 C 0.5001(12) 0.6848(10) 0.6860(6) 0.152(9) Uani 1 1 d D U . . .
H170 H 0.501954 0.715738 0.691725 0.183 Uiso 1 1 calc R U . . .
C172 C 0.3349(11) 1.0072(8) 0.4651(9) 0.201(10) Uani 1 1 d D U . . .
F27 F 0.6719(9) 0.6642(18) 0.9762(10) 0.183(10) Uani 0.46(3) 1 d D U P A 1
C173 C 0.8504(12) 1.0371(13) 0.7715(8) 0.182(7) Uani 1 1 d D U . . .
H173 H 0.839522 1.015476 0.782696 0.218 Uiso 1 1 calc R U . . .
C174 C 0.6604(10) 0.4446(11) 0.7114(7) 0.159(6) Uani 1 1 d D U . . .
H174 H 0.673791 0.471233 0.706173 0.191 Uiso 1 1 calc R U . . .
C175 C 0.7344(9) 0.6718(10) 0.9755(9) 0.159(7) Uani 1 1 d D U . . .
C176 C 0.3141(12) 0.6718(13) 0.6178(9) 0.187(8) Uani 1 1 d D U . . .
H17C H 0.303815 0.702713 0.610831 0.224 Uiso 1 1 calc R U . . .
H17D H 0.326769 0.669567 0.640661 0.224 Uiso 1 1 calc R U . . .
F28 F 0.5053(10) 0.7139(6) 0.7440(5) 0.281(11) Uani 1 1 d D U . . .
C177 C 0.7272(10) 0.4253(9) 1.0230(9) 0.165(7) Uani 1 1 d D U . . .
H17A H 0.743625 0.403663 1.039319 0.199 Uiso 1 1 calc R U . . .
H17B H 0.716948 0.411374 1.002190 0.199 Uiso 1 1 calc R U . . .
C178 C 0.6943(10) 0.4513(11) 1.0302(10) 0.173(7) Uani 1 1 d D U . . .
H178 H 0.682685 0.435272 1.043588 0.207 Uiso 1 1 calc R U . . .
C179 C 0.6881(10) 0.4178(12) 0.7402(7) 0.174(7) Uani 1 1 d D U . . .
C180 C 0.6198(11) 0.3691(12) 0.7229(8) 0.156(7) Uani 1 1 d . U . . .
H18H H 0.603056 0.347495 0.706709 0.187 Uiso 1 1 calc R U . . .
H18I H 0.622592 0.357425 0.743307 0.187 Uiso 1 1 calc R U . . .
C181 C 0.7790(12) 0.7425(13) 0.8450(8) 0.185(8) Uani 1 1 d D U . . .
H181 H 0.806780 0.745251 0.862367 0.222 Uiso 1 1 calc R U . . .
C182 C 0.7496(9) 0.8374(7) 0.4995(6) 0.180(8) Uani 1 1 d D U . . .
C183 C 0.7234(11) 0.8011(11) 0.5029(8) 0.153(9) Uani 1 1 d . U . . .
H183 H 0.717127 0.776719 0.488654 0.184 Uiso 1 1 calc R U . . .
C184 C 1.2229(10) 0.8993(14) 0.8870(9) 0.171(8) Uani 1 1 d . U . . .
H18A H 1.225690 0.883871 0.869315 0.205 Uiso 1 1 calc R U . . .
H18B H 1.241390 0.925919 0.892377 0.205 Uiso 1 1 calc R U . . .
C185 C 1.2234(10) 0.8921(13) 0.9371(8) 0.172(8) Uani 1 1 d D U . . .
H18C H 1.222262 0.925382 0.935191 0.207 Uiso 1 1 calc R U . . .
H18D H 1.239931 0.882869 0.958770 0.207 Uiso 1 1 calc R U . . .
C186 C 0.8803(11) 1.0967(13) 0.7414(9) 0.210(10) Uani 1 1 d D U . . .
H186 H 0.888390 1.118893 0.730454 0.252 Uiso 1 1 calc R U . . .
C187 C 1.2362(12) 0.8686(12) 0.9135(9) 0.177(7) Uani 1 1 d D U . . .
H187 H 1.265339 0.857809 0.921249 0.213 Uiso 1 1 calc R U . . .
C188 C 0.2932(11) 0.5857(15) 0.6220(11) 0.203(10) Uani 1 1 d . U . . .
H18J H 0.282254 0.586814 0.638263 0.244 Uiso 1 1 calc R U . . .
H18K H 0.281191 0.559359 0.608382 0.244 Uiso 1 1 calc R U . . .
C189 C 0.7134(13) 0.5383(10) 1.0450(10) 0.191(11) Uani 1 1 d D U . . .
H18E H 0.686038 0.542921 1.028530 0.287 Uiso 1 1 calc R U . . .
H18F H 0.733486 0.557106 1.041025 0.287 Uiso 1 1 calc R U . . .
H18G H 0.712927 0.546692 1.064973 0.287 Uiso 1 1 calc R U . . .
F29 F 0.5304(8) 0.6470(8) 0.7619(5) 0.277(10) Uani 1 1 d D U . . .
C190 C 0.7498(16) 0.9941(16) 0.4241(11) 0.254(11) Uani 1 1 d D U . . .
H19F H 0.730537 0.992557 0.402057 0.305 Uiso 1 1 calc R U . . .
H19G H 0.765245 0.965563 0.431051 0.305 Uiso 1 1 calc R U . . .
C191 C 0.8394(13) 1.0937(14) 0.7403(10) 0.210(8) Uani 1 1 d D U . . .
H191 H 0.819365 1.116441 0.726837 0.252 Uiso 1 1 calc R U . . .
C192 C 0.7538(13) 0.7856(12) 0.8344(9) 0.191(9) Uani 1 1 d D U . . .
H19A H 0.770203 0.813174 0.835698 0.229 Uiso 1 1 calc R U . . .
H19B H 0.732993 0.790427 0.843144 0.229 Uiso 1 1 calc R U . . .
C193 C 0.3018(12) 0.6270(12) 0.5773(8) 0.182(8) Uani 1 1 d D U . . .
C194 C 0.8397(12) 1.0874(13) 0.7728(9) 0.203(8) Uani 1 1 d D U . . .
C195 C 0.7472(11) 0.4718(9) 1.0252(8) 0.160(6) Uani 1 1 d D U . . .
H195 H 0.777966 0.472486 1.034769 0.192 Uiso 1 1 calc R U . . .
C196 C 1.2181(14) 0.7937(13) 0.9362(10) 0.214(12) Uani 1 1 d D U . . .
H19C H 1.244866 0.782706 0.937615 0.321 Uiso 1 1 calc R U . . .
H19D H 1.197898 0.769198 0.929134 0.321 Uiso 1 1 calc R U . . .
H19E H 1.220570 0.804242 0.956536 0.321 Uiso 1 1 calc R U . . .
C197 C 0.7304(15) 1.0119(11) 0.4457(9) 0.239(10) Uani 1 1 d D U . . .
H197 H 0.700455 1.004902 0.438755 0.287 Uiso 1 1 calc R U . . .
C198 C 0.3396(11) 0.6510(12) 0.6014(8) 0.168(7) Uani 1 1 d D U . . .
H198 H 0.355112 0.672137 0.593517 0.201 Uiso 1 1 calc R U . . .
C199 C 0.3391(7) 1.0561(7) 0.4556(6) 0.241(10) Uani 1 1 d D U . . .
C200 C 0.2835(12) 0.6340(13) 0.6015(9) 0.194(8) Uani 1 1 d D U . . .
H200 H 0.253931 0.643430 0.592719 0.232 Uiso 1 1 calc R U . . .
C201 C 0.4999(8) 0.6704(7) 0.7417(4) 0.224(9) Uani 1 1 d D U . . .
C202 C 0.4971(12) 0.6606(8) 0.7086(6) 0.186(8) Uani 1 1 d D U . . .
C203 C 0.7699(8) 0.8348(8) 0.4759(5) 0.212(10) Uani 1 1 d D U . . .
F30 F 0.7507(11) 0.8021(9) 0.4574(6) 0.351(15) Uani 1 1 d D U . . .
F31 F 0.8086(8) 0.8263(14) 0.4934(6) 0.351(14) Uani 1 1 d D U . . .
F32 F 0.7630(11) 0.8745(8) 0.4632(7) 0.330(13) Uani 1 1 d D U . . .
N16 N 0.7768(8) 0.8553(7) 0.6016(5) 0.149(5) Uani 1 1 d G U . . .
C204 C 0.7543(6) 0.8228(9) 0.6105(6) 0.172(10) Uani 1 1 d G U . . .
H204 H 0.726183 0.817398 0.597795 0.206 Uiso 1 1 calc R U . . .
C205 C 0.7739(11) 0.7984(9) 0.6385(7) 0.233(11) Uani 1 1 d G U . . .
C206 C 0.8159(11) 0.8065(11) 0.6576(6) 0.253(14) Uani 1 1 d G U . . .
C207 C 0.8384(7) 0.8390(12) 0.6486(6) 0.233(14) Uani 1 1 d G U . . .
H207 H 0.866521 0.844362 0.661313 0.280 Uiso 1 1 calc R U . . .
C208 C 0.8189(8) 0.8634(8) 0.6206(7) 0.164(9) Uani 1 1 d G U . . .
C209 C 0.6882(13) 0.4301(17) 0.7717(8) 0.221(14) Uani 1 1 d D U . . .
H20A H 0.679408 0.461486 0.771393 0.332 Uiso 1 1 calc R U . . .
H20B H 0.716095 0.426452 0.787756 0.332 Uiso 1 1 calc R U . . .
H20C H 0.669298 0.410136 0.776246 0.332 Uiso 1 1 calc R U . . .
C210 C 0.7344(10) 0.4171(15) 0.7476(10) 0.214(12) Uani 1 1 d D U . . .
H21F H 0.746724 0.389863 0.759417 0.321 Uiso 1 1 calc R U . . .
H21G H 0.747453 0.443873 0.759768 0.321 Uiso 1 1 calc R U . . .
H21H H 0.738486 0.417186 0.728208 0.321 Uiso 1 1 calc R U . . .
C211 C 0.8235(13) 1.0448(13) 0.7370(8) 0.194(9) Uani 1 1 d D U . . .
H21A H 0.793588 1.042411 0.731722 0.233 Uiso 1 1 calc R U . . .
H21B H 0.831506 1.026005 0.722915 0.233 Uiso 1 1 calc R U . . .
C212 C 1.2038(11) 0.8333(10) 0.9127(8) 0.167(7) Uani 1 1 d D U . . .
C213 C 1.1795(13) 0.8084(15) 0.8821(9) 0.215(14) Uani 1 1 d D U . . .
H21C H 1.157221 0.790947 0.883983 0.323 Uiso 1 1 calc R U . . .
H21D H 1.198049 0.788021 0.877394 0.323 Uiso 1 1 calc R U . . .
H21E H 1.167944 0.830501 0.865310 0.323 Uiso 1 1 calc R U . . .
C214 C 0.8074(15) 0.7571(16) 0.6990(9) 0.299(13) Uani 1 1 d D U . . .
H214 H 0.817177 0.743762 0.720258 0.359 Uiso 1 1 calc R U . . .
C215 C 0.7684(18) 0.7892(18) 0.6876(10) 0.295(13) Uani 1 1 d D U . . .
H21I H 0.775681 0.821432 0.687549 0.355 Uiso 1 1 calc R U . . .
H21J H 0.750993 0.784858 0.699352 0.355 Uiso 1 1 calc R U . . .
C216 C 0.7788(10) 0.7279(12) 0.6705(7) 0.285(13) Uani 1 1 d D U . . .
C217 C 0.7488(14) 0.7681(13) 0.6539(10) 0.270(12) Uani 1 1 d D U . . .
H217 H 0.718413 0.763300 0.643018 0.323 Uiso 1 1 calc R U . . .
C218 C 0.8390(16) 0.778(2) 0.6883(12) 0.303(15) Uani 1 1 d D U . . .
H21K H 0.855547 0.753828 0.684373 0.364 Uiso 1 1 calc R U . . .
H21L H 0.857849 0.797888 0.704786 0.364 Uiso 1 1 calc R U . . .
C219 C 0.7394(11) 1.0586(12) 0.4359(8) 0.256(10) Uani 1 1 d D U . . .
C220 C 0.7768(11) 1.0365(14) 0.4326(7) 0.262(10) Uani 1 1 d D U . . .
H220 H 0.785150 1.049125 0.416331 0.314 Uiso 1 1 calc R U . . .
C221 C 0.7486(16) 1.0940(13) 0.4618(10) 0.279(15) Uani 1 1 d D U . . .
H22J H 0.752488 1.078756 0.481269 0.418 Uiso 1 1 calc R U . . .
H22K H 0.725418 1.115072 0.456280 0.418 Uiso 1 1 calc R U . . .
H22L H 0.773621 1.110643 0.464431 0.418 Uiso 1 1 calc R U . . .
C222 C 0.7045(16) 1.0743(15) 0.4055(9) 0.309(17) Uani 1 1 d D U . . .
H22M H 0.697277 1.049760 0.390275 0.464 Uiso 1 1 calc R U . . .
H22N H 0.713735 1.100562 0.397334 0.464 Uiso 1 1 calc R U . . .
H22O H 0.680322 1.082541 0.409483 0.464 Uiso 1 1 calc R U . . .
C223 C 0.8021(14) 0.7115(13) 0.6518(10) 0.282(16) Uani 1 1 d D U . . .
H22P H 0.827349 0.696399 0.665597 0.424 Uiso 1 1 d R U . . .
H22Q H 0.809079 0.737159 0.641717 0.424 Uiso 1 1 d R U . . .
H22R H 0.785029 0.690089 0.635947 0.424 Uiso 1 1 d R U . . .
C224 C 0.7564(14) 0.6915(14) 0.6805(11) 0.32(2) Uani 1 1 d D U . . .
H22S H 0.758874 0.697813 0.701607 0.480 Uiso 1 1 calc R U . . .
H22T H 0.768717 0.662001 0.680083 0.480 Uiso 1 1 calc R U . . .
H22U H 0.727292 0.691150 0.666382 0.480 Uiso 1 1 calc R U . . .
C225 C 0.7256(11) 0.4884(10) 1.0458(8) 0.168(7) Uani 1 1 d D U . . .
C226 C 0.7519(13) 0.4756(15) 1.0796(8) 0.206(12) Uani 1 1 d D U . . .
H22A H 0.737821 0.452210 1.086343 0.309 Uiso 1 1 calc R U . . .
H22B H 0.756208 0.502301 1.092779 0.309 Uiso 1 1 calc R U . . .
H22C H 0.778629 0.464105 1.081170 0.309 Uiso 1 1 calc R U . . .
C227 C 0.7965(13) 1.0942(18) 0.7723(11) 0.246(13) Uani 1 1 d D U . . .
H22D H 0.785067 1.122369 0.761340 0.369 Uiso 1 1 d R U . . .
H22E H 0.797917 1.095919 0.793470 0.369 Uiso 1 1 d R U . . .
H22F H 0.778797 1.068889 0.761440 0.369 Uiso 1 1 d R U . . .
C228 C 0.8716(15) 1.1160(16) 0.7986(11) 0.248(16) Uani 1 1 d D U . . .
H22G H 0.862504 1.119945 0.815552 0.372 Uiso 1 1 calc R U . . .
H22H H 0.874120 1.145673 0.790300 0.372 Uiso 1 1 calc R U . . .
H22I H 0.898306 1.100754 0.806395 0.372 Uiso 1 1 calc R U . . .
C229 C 1.1572(9) 0.4554(8) 1.0586(7) 0.218(9) Uani 1 1 d D U . . .
F33 F 0.7166(16) 0.7110(14) 1.0093(12) 0.182(10) Uani 0.46(3) 1 d D U P A 1
C230 C 0.8060(13) 0.7686(14) 0.8056(9) 0.203(11) Uani 1 1 d D U . . .
H23A H 0.790150 0.785461 0.786676 0.305 Uiso 1 1 calc R U . . .
H23B H 0.828153 0.751944 0.802871 0.305 Uiso 1 1 calc R U . . .
H23C H 0.817805 0.789675 0.822973 0.305 Uiso 1 1 calc R U . . .
C231 C 0.7375(14) 0.7621(15) 0.8027(9) 0.204(8) Uani 1 1 d D U . . .
H231 H 0.733154 0.783379 0.785155 0.244 Uiso 1 1 calc R U . . .
C232 C 0.6959(15) 0.7290(16) 0.7967(9) 0.216(12) Uani 1 1 d . U . . .
H23D H 0.670732 0.747453 0.791311 0.259 Uiso 1 1 calc R U . . .
H23E H 0.691626 0.707078 0.779805 0.259 Uiso 1 1 calc R U . . .
C233 C 0.7775(14) 0.7353(13) 0.8124(9) 0.203(8) Uani 1 1 d D U . . .
C234 C 0.7748(16) 0.6858(13) 0.8021(10) 0.229(14) Uani 1 1 d D U . . .
H23F H 0.800196 0.670061 0.814938 0.343 Uiso 1 1 calc R U . . .
H23G H 0.771137 0.684585 0.780340 0.343 Uiso 1 1 calc R U . . .
H23H H 0.751319 0.671280 0.804297 0.343 Uiso 1 1 calc R U . . .
C0AA C 0.8103(10) 1.0275(18) 0.4635(7) 0.247(12) Uani 1 1 d D U . . .
H0AA H 0.838189 1.034745 0.468029 0.296 Uiso 1 1 calc R U . . .
F237 F 0.8665(9) 0.8228(10) 0.7705(5) 0.229(8) Uani 1 1 d D U . . .
F235 F 0.9176(9) 0.8297(9) 0.7572(6) 0.231(8) Uani 1 1 d D U . . .
C C 0.8968(8) 0.8483(10) 0.7715(6) 0.168(6) Uani 1 1 d D U . . .
F238 F 0.8792(8) 0.8734(10) 0.7467(5) 0.226(7) Uani 1 1 d D U . . .
C23 C 0.9995(14) 0.7714(15) 0.9671(12) 0.200(13) Uani 1 1 d . U . . .
H23 H 0.992189 0.780089 0.946182 0.240 Uiso 1 1 calc R U . . .
C25 C 1.0145(18) 0.7330(16) 0.9846(10) 0.228(16) Uani 1 1 d . U . . .
H25 H 1.033521 0.711684 0.982973 0.273 Uiso 1 1 calc R U . . .
O23 O 1.000000 0.7965(13) 1.000000 0.218(13) Uani 1 2 d S TU P . .
F19 F 0.7218(17) 0.6405(15) 1.0118(12) 0.182(10) Uani 0.46(3) 1 d D U P A 1
F19A F 0.7279(14) 0.681(2) 1.0244(8) 0.221(11) Uani 0.54(3) 1 d D U P A 2
F27A F 0.6967(17) 0.6392(13) 1.0051(14) 0.199(11) Uani 0.54(3) 1 d D U P A 2
F33A F 0.6862(16) 0.7121(14) 0.9861(13) 0.209(12) Uani 0.54(3) 1 d D U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O12 143.8(5) 2_757 . ?
O3 Eu1 O14 129.8(6) 2_757 . ?
O3 Eu1 N3 88.1(6) 2_757 . ?
O3 Eu1 N5 74.1(5) 2_757 . ?
O3 Eu1 N13 67.5(6) 2_757 . ?
O5 Eu1 O3 69.0(5) 2_757 2_757 ?
O5 Eu1 O8 70.7(5) 2_757 . ?
O5 Eu1 O12 123.4(6) 2_757 . ?
O5 Eu1 O14 132.9(5) 2_757 . ?
O5 Eu1 N3 70.7(5) 2_757 . ?
O5 Eu1 N5 120.3(5) 2_757 . ?
O5 Eu1 O20 69.9(5) 2_757 . ?
O5 Eu1 N13 132.3(6) 2_757 . ?
O8 Eu1 O3 81.8(5) . 2_757 ?
O8 Eu1 O12 133.6(5) . . ?
O8 Eu1 O14 70.9(5) . . ?
O8 Eu1 N3 141.2(5) . . ?
O8 Eu1 N5 145.7(6) . . ?
O8 Eu1 N13 84.6(6) . . ?
O12 Eu1 O14 70.0(6) . . ?
O12 Eu1 N3 68.5(6) . . ?
O12 Eu1 N5 70.7(5) . . ?
O12 Eu1 N13 103.3(6) . . ?
O14 Eu1 N3 138.3(5) . . ?
O14 Eu1 N5 106.9(5) . . ?
O14 Eu1 N13 68.7(6) . . ?
N5 Eu1 N3 62.7(5) . . ?
N5 Eu1 N13 63.9(6) . . ?
O20 Eu1 O3 137.6(5) . 2_757 ?
O20 Eu1 O8 75.4(6) . . ?
O20 Eu1 O12 71.1(5) . . ?
O20 Eu1 O14 74.8(6) . . ?
O20 Eu1 N3 87.9(6) . . ?
O20 Eu1 N5 138.2(6) . . ?
O20 Eu1 N13 142.5(6) . . ?
N13 Eu1 N3 125.5(6) . . ?
O1 Eu2 O26 70.9(5) . . ?
O1 Eu2 O17 70.7(6) . . ?
O1 Eu2 O18 137.1(5) . . ?
O1 Eu2 O19 76.8(6) . 2_757 ?
O1 Eu2 N4 136.4(6) . . ?
O1 Eu2 N9 145.9(6) . . ?
O1 Eu2 N11 82.5(6) . . ?
O26 Eu2 O17 125.1(6) . . ?
O26 Eu2 O18 67.1(5) . . ?
O26 Eu2 O19 134.5(6) . 2_757 ?
O26 Eu2 N4 116.2(5) . . ?
O26 Eu2 N9 132.0(5) . . ?
O26 Eu2 N11 70.5(6) . . ?
O10 Eu2 O1 76.5(6) 2_757 . ?
O10 Eu2 O26 71.4(6) 2_757 . ?
O10 Eu2 O17 132.7(6) 2_757 . ?
O10 Eu2 O18 82.5(6) 2_757 . ?
O10 Eu2 O19 70.5(6) 2_757 2_757 ?
O10 Eu2 N4 147.0(5) 2_757 . ?
O10 Eu2 N9 87.3(6) 2_757 . ?
O10 Eu2 N11 140.7(6) 2_757 . ?
O17 Eu2 O18 143.9(6) . . ?
O17 Eu2 O19 69.5(7) . 2_757 ?
O17 Eu2 N4 71.6(5) . . ?
O17 Eu2 N9 101.2(6) . . ?
O17 Eu2 N11 66.9(6) . . ?
O18 Eu2 O19 129.9(6) . 2_757 ?
O18 Eu2 N4 72.8(5) . . ?
O18 Eu2 N9 67.8(5) . . ?
O18 Eu2 N11 91.3(6) . . ?
O19 Eu2 N4 109.4(6) 2_757 . ?
O19 Eu2 N9 69.5(6) 2_757 . ?
O19 Eu2 N11 135.8(6) 2_757 . ?
N9 Eu2 N4 63.5(6) . . ?
N9 Eu2 N11 126.0(6) . . ?
N11 Eu2 N4 62.8(6) . . ?
O4 Eu3 O6 78.4(6) . 2_656 ?
O4 Eu3 O11 128.6(6) . . ?
O4 Eu3 O15 68.7(5) . . ?
O4 Eu3 O16 74.4(6) . . ?
O4 Eu3 N7 144.0(6) . . ?
O4 Eu3 N8 87.6(5) . . ?
O4 Eu3 N12 142.8(5) . . ?
O6 Eu3 O11 150.2(5) 2_656 . ?
O6 Eu3 N7 71.0(5) 2_656 . ?
O6 Eu3 N8 65.8(5) 2_656 . ?
O6 Eu3 N12 97.1(6) 2_656 . ?
O7 Eu3 O4 74.3(5) 2_656 . ?
O7 Eu3 O6 67.4(6) 2_656 2_656 ?
O7 Eu3 O11 126.5(6) 2_656 . ?
O7 Eu3 O15 136.5(5) 2_656 . ?
O7 Eu3 O16 71.6(6) 2_656 . ?
O7 Eu3 N7 109.3(5) 2_656 . ?
O7 Eu3 N8 132.3(5) 2_656 . ?
O7 Eu3 N12 70.0(5) 2_656 . ?
O11 Eu3 N7 79.3(5) . . ?
O11 Eu3 N8 99.4(5) . . ?
O11 Eu3 N12 69.2(6) . . ?
O15 Eu3 O6 124.0(6) . 2_656 ?
O15 Eu3 O11 67.0(6) . . ?
O15 Eu3 N7 114.0(5) . . ?
O15 Eu3 N8 68.8(6) . . ?
O15 Eu3 N12 135.9(6) . . ?
O16 Eu3 O6 135.4(5) . 2_656 ?
O16 Eu3 O11 71.5(5) . . ?
O16 Eu3 O15 77.0(6) . . ?
O16 Eu3 N7 141.5(5) . . ?
O16 Eu3 N8 145.2(6) . . ?
O16 Eu3 N12 84.5(6) . . ?
N7 Eu3 N8 62.9(5) . . ?
N12 Eu3 N7 61.7(5) . . ?
N12 Eu3 N8 124.6(5) . . ?
O9 Eu4 O13 73.1(7) 2_656 . ?
O9 Eu4 O21 134.1(6) 2_656 . ?
O9 Eu4 O25 80.3(7) 2_656 . ?
O9 Eu4 N10 84.3(7) 2_656 . ?
O9 Eu4 N15 145.0(7) 2_656 . ?
O9 Eu4 O24 70.7(7) 2_656 2_656 ?
O9 Eu4 N16 142.1(7) 2_656 . ?
O13 Eu4 O21 120.9(7) . . ?
O13 Eu4 O25 68.7(6) . . ?
O13 Eu4 N10 132.5(6) . . ?
O13 Eu4 N15 116.3(7) . . ?
O13 Eu4 N16 69.4(7) . . ?
O21 Eu4 O25 145.0(7) . . ?
O21 Eu4 N10 104.9(7) . . ?
O21 Eu4 N15 72.6(6) . . ?
O21 Eu4 N16 65.9(7) . . ?
O22 Eu4 O9 76.9(6) . 2_656 ?
O22 Eu4 O13 70.9(6) . . ?
O22 Eu4 O21 69.4(6) . . ?
O22 Eu4 O25 137.8(6) . . ?
O22 Eu4 N10 143.5(7) . . ?
O22 Eu4 N15 137.9(7) . . ?
O22 Eu4 O24 77.2(7) . 2_656 ?
O22 Eu4 N16 86.0(7) . . ?
O25 Eu4 N10 66.7(6) . . ?
O25 Eu4 N15 73.4(6) . . ?
O25 Eu4 N16 90.9(7) . . ?
N10 Eu4 N15 64.4(8) . . ?
O24 Eu4 O13 136.0(6) 2_656 . ?
O24 Eu4 O21 72.2(7) 2_656 . ?
O24 Eu4 O25 126.9(7) 2_656 . ?
O24 Eu4 N10 67.0(7) 2_656 . ?
O24 Eu4 N15 107.7(7) 2_656 . ?
O24 Eu4 N16 138.0(7) 2_656 . ?
N16 Eu4 N10 125.8(8) . . ?
N16 Eu4 N15 62.0(8) . . ?
C57 O1 Eu2 139.0(16) . . ?
C88 O26 Eu2 141.6(15) . . ?
C19 O3 Eu1 136.7(12) . 2_757 ?
C69 O4 Eu3 135.5(16) . . ?
C90 O5 Eu1 141.0(14) . 2_757 ?
C136 O6 Eu3 134.6(16) . 2_656 ?
C109 O7 Eu3 136.8(17) . 2_656 ?
C236 N1 C50 119.1(17) . . ?
C35 N1 C236 119.5(17) . . ?
C35 N1 C50 121.4(16) . . ?
C33 O8 Eu1 131.7(16) . . ?
C87 O9 Eu4 131.5(18) . 2_656 ?
C119 O10 Eu2 132.8(17) . 2_757 ?
C202 O11 Eu3 133.8(10) . . ?
C120 O12 Eu1 131.0(16) . . ?
C144 O13 Eu4 140.1(19) . . ?
C117 O14 Eu1 132.3(14) . . ?
C150 O15 Eu3 132.8(16) . . ?
C140 O16 Eu3 136.8(11) . . ?
C6 N2 C24 122.2(17) . . ?
C6 N2 C82 119.6(16) . . ?
C24 N2 C82 118.0(15) . . ?
C1 N3 Eu1 118.3(8) . . ?
C1 N3 C5 120.0 . . ?
C5 N3 Eu1 119.5(8) . . ?
N3 C1 H1 120.0 . . ?
C238 C1 N3 120.0 . . ?
C238 C1 H1 120.0 . . ?
C1 C238 C3 120.0 . . ?
C1 C238 C143 119.5(18) . . ?
C3 C238 C143 120.2(18) . . ?
C238 C3 C184 112.9(18) . . ?
C4 C3 C238 120.0 . . ?
C4 C3 C184 127.1(19) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
N3 C5 C14 117.9(13) . . ?
C4 C5 N3 120.0 . . ?
C4 C5 C14 121.9(13) . . ?
C135 O17 Eu2 135.5(19) . . ?
C175 O18 Eu2 141.7(13) . . ?
C42 C6 N2 118.7(13) . . ?
C42 C6 C80 120.0 . . ?
C80 C6 N2 121.0(13) . . ?
C6 C42 H42 120.0 . . ?
C84 C42 C6 120.0 . . ?
C84 C42 H42 120.0 . . ?
C42 C84 H84 120.0 . . ?
C42 C84 C81 120.0 . . ?
C81 C84 H84 120.0 . . ?
C84 C81 C161 122.1(15) . . ?
C89 C81 C84 120.0 . . ?
C89 C81 C161 117.8(14) . . ?
C81 C89 H89 120.0 . . ?
C80 C89 C81 120.0 . . ?
C80 C89 H89 120.0 . . ?
C6 C80 H80 120.0 . . ?
C89 C80 C6 120.0 . . ?
C89 C80 H80 120.0 . . ?
C22 C7 H7 120.0 . . ?
C22 C7 C32 120.0 . . ?
C32 C7 H7 120.0 . . ?
C7 C22 H22 120.0 . . ?
C24 C22 C7 120.0 . . ?
C24 C22 H22 120.0 . . ?
C22 C24 N2 121.5(13) . . ?
C146 C24 N2 118.5(13) . . ?
C146 C24 C22 120.0 . . ?
C24 C146 H146 120.0 . . ?
C145 C146 C24 120.0 . . ?
C145 C146 H146 120.0 . . ?
C146 C145 H145 120.0 . . ?
C146 C145 C32 120.0 . . ?
C32 C145 H145 120.0 . . ?
C7 C32 C57 116.9(14) . . ?
C145 C32 C7 120.0 . . ?
C145 C32 C57 123.0(14) . . ?
C133 O19 Eu2 132.1(15) . 2_757 ?
C9 C8 N4 120.0 . . ?
C9 C8 C100 121.9(16) . . ?
N4 C8 C100 118.1(16) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C70 123.4(14) . . ?
N4 C12 C11 120.0 . . ?
N4 C12 C70 116.5(14) . . ?
C8 N4 Eu2 119.9(9) . . ?
C12 N4 Eu2 119.8(9) . . ?
C12 N4 C8 120.0 . . ?
C21 C13 H13 117.9 . . ?
C21 C13 C58 124(2) . . ?
C58 C13 H13 117.8 . . ?
C14 N5 Eu1 120.1(9) . . ?
C14 N5 C18 120.0 . . ?
C18 N5 Eu1 119.3(8) . . ?
N5 C14 C5 117.1(13) . . ?
N5 C14 C15 120.0 . . ?
C15 C14 C5 122.7(13) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
N5 C18 C123 118.8(13) . . ?
C17 C18 N5 120.0 . . ?
C17 C18 C123 121.1(13) . . ?
O3 C19 C40 118.7(16) . . ?
O3 C19 C93 118.5(17) . . ?
C40 C19 C93 122.5(18) . . ?
C95 C20 C69 125(2) . . ?
C95 C20 C101 115(2) . . ?
C101 C20 C69 120(2) . . ?
C13 C21 H21 120.7 . . ?
C13 C21 C50 119(2) . . ?
C50 C21 H21 120.7 . . ?
C161 O20 Eu1 138.2(12) . . ?
C28 N6 C107 121.1(18) . . ?
C129 N6 C28 120.6(18) . . ?
C129 N6 C107 117.3(18) . . ?
C51 C26 C109 123(2) . . ?
C85 C26 C51 118(2) . . ?
C85 C26 C109 118(2) . . ?
C38 C236 N1 119.4(19) . . ?
C128 C236 N1 120(2) . . ?
C128 C236 C38 120(2) . . ?
C156 O21 Eu4 131(2) . . ?
C27 C235 H235 120.0 . . ?
C27 C235 C31 120.0 . . ?
C31 C235 H235 120.0 . . ?
C235 C27 H27 120.0 . . ?
C28 C27 C235 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 N6 117.9(14) . . ?
C29 C28 N6 122.0(14) . . ?
C29 C28 C27 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C235 C31 C140 119.9(15) . . ?
C30 C31 C235 120.0 . . ?
C30 C31 C140 120.0(15) . . ?
O8 C33 C43 115(2) . . ?
O8 C33 C39 125(2) . . ?
C39 C33 C43 120(2) . . ?
C116 C34 H34 120.0 . . ?
C116 C34 C82 120.0 . . ?
C82 C34 H34 120.0 . . ?
C34 C116 H116 120.0 . . ?
C149 C116 C34 120.0 . . ?
C149 C116 H116 120.0 . . ?
C116 C149 C119 117.5(16) . . ?
C171 C149 C116 120.0 . . ?
C171 C149 C119 122.5(16) . . ?
C149 C171 H171 120.0 . . ?
C149 C171 C142 120.0 . . ?
C142 C171 H171 120.0 . . ?
C171 C142 H142 120.0 . . ?
C82 C142 C171 120.0 . . ?
C82 C142 H142 120.0 . . ?
C34 C82 N2 121.3(14) . . ?
C142 C82 N2 118.7(14) . . ?
C142 C82 C34 120.0 . . ?
C64 C35 N1 120.8(12) . . ?
C64 C35 C122 120.0 . . ?
C122 C35 N1 119.2(12) . . ?
C35 C64 H64 120.0 . . ?
C67 C64 C35 120.0 . . ?
C67 C64 H64 120.0 . . ?
C64 C67 H67 120.0 . . ?
C64 C67 C43 120.0 . . ?
C43 C67 H67 120.0 . . ?
C67 C43 C33 115.8(14) . . ?
C67 C43 C139 120.0 . . ?
C139 C43 C33 124.2(14) . . ?
C43 C139 H139 120.0 . . ?
C122 C139 C43 120.0 . . ?
C122 C139 H139 120.0 . . ?
C35 C122 H122 120.0 . . ?
C139 C122 C35 120.0 . . ?
C139 C122 H122 120.0 . . ?
C91 C36 C87 127(3) . . ?
C132 C36 C87 119(3) . . ?
C132 C36 C91 115(3) . . ?
C51 C37 H37 119.5 . . ?
C65 C37 H37 119.4 . . ?
C65 C37 C51 121(3) . . ?
C236 C38 H38 120.6 . . ?
C236 C38 C68 119(2) . . ?
C68 C38 H38 120.7 . . ?
C33 C39 H39 118.1 . . ?
C33 C39 C117 124(2) . . ?
C117 C39 H39 118.1 . . ?
F2 C40 C19 110.4(14) . . ?
F6 C40 C19 111.7(14) . . ?
F6 C40 F2 102(2) . . ?
F6 C40 F9 116(3) . . ?
F9 C40 C19 110.9(13) . . ?
F9 C40 F2 104(3) . . ?
C68 C41 C88 118(2) . . ?
C92 C41 C68 119(2) . . ?
C92 C41 C88 123(2) . . ?
C138 O22 Eu4 143.1(19) . . ?
C45 C44 H44 120.0 . . ?
C45 C44 C49 120.0 . . ?
C49 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C47 120.0 . . ?
C45 C46 N14 120.1(13) . . ?
C47 C46 N14 119.9(13) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C44 C49 C144 118.3(16) . . ?
C48 C49 C44 120.0 . . ?
C48 C49 C144 121.6(16) . . ?
C21 C50 N1 117(2) . . ?
C83 C50 N1 125(2) . . ?
C83 C50 C21 117(2) . . ?
C26 C51 H51 119.0 . . ?
C37 C51 C26 122(2) . . ?
C37 C51 H51 118.9 . . ?
C52 N7 Eu3 121.6(8) . . ?
C52 N7 C56 120.0 . . ?
C56 N7 Eu3 118.1(8) . . ?
N7 C52 C53 120.0 . . ?
N7 C52 C111 116.7(13) . . ?
C53 C52 C111 123.2(13) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
N7 C56 C59 119.2(13) . . ?
C55 C56 N7 120.0 . . ?
C55 C56 C59 120.1(14) . . ?
O1 C57 C32 115(2) . . ?
O1 C57 C158 123(2) . . ?
C158 C57 C32 122(2) . . ?
C13 C58 C90 121(2) . . ?
C86 C58 C13 116.5(19) . . ?
C86 C58 C90 122(2) . . ?
C59 N8 Eu3 118.0(9) . . ?
C59 N8 C63 120.0 . . ?
C63 N8 Eu3 116.3(9) . . ?
N8 C59 C56 115.0(15) . . ?
N8 C59 C60 120.0 . . ?
C60 C59 C56 125.0(15) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 C180 118.8(19) . . ?
C62 C61 C60 120.0 . . ?
C62 C61 C180 121.1(19) . . ?
C61 C62 C63 120.0 . . ?
C61 C62 C174 115(2) . . ?
C63 C62 C174 125(2) . . ?
N8 C63 H63 120.0 . . ?
C62 C63 N8 120.0 . . ?
C62 C63 H63 120.0 . . ?
C182 O25 Eu4 138.2(14) . . ?
C37 C65 N14 121(3) . . ?
C66 C65 C37 120(3) . . ?
C66 C65 N14 120(2) . . ?
C65 C66 H66 119.3 . . ?
C65 C66 C85 121(3) . . ?
C85 C66 H66 119.3 . . ?
C38 C68 C41 121(2) . . ?
C38 C68 H68 119.6 . . ?
C41 C68 H68 119.7 . . ?
O4 C69 C20 116(2) . . ?
O4 C69 C148 120(2) . . ?
C148 C69 C20 124(2) . . ?
C70 N9 Eu2 121.1(9) . . ?
C70 N9 C74 120.0 . . ?
C74 N9 Eu2 117.6(9) . . ?
N9 C70 C12 117.2(14) . . ?
C71 C70 C12 122.7(14) . . ?
C71 C70 N9 120.0 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 C168 126(2) . . ?
C73 C72 C71 120.0 . . ?
C73 C72 C168 114(2) . . ?
C72 C73 C195 116.0(17) . . ?
C74 C73 C72 120.0 . . ?
C74 C73 C195 123.8(17) . . ?
N9 C74 H74 120.0 . . ?
C73 C74 N9 120.0 . . ?
C73 C74 H74 120.0 . . ?
C75 N10 Eu4 119.9(12) . . ?
C75 N10 C79 120.0 . . ?
C79 N10 Eu4 118.0(12) . . ?
N10 C75 C155 116.5(18) . . ?
C76 C75 N10 120.0 . . ?
C76 C75 C155 123.4(18) . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C76 C77 C0AA 126.5(18) . . ?
C78 C77 C76 120.0 . . ?
C78 C77 C0AA 113.5(17) . . ?
C77 C78 C79 120.0 . . ?
C197 C78 C77 117(3) . . ?
C197 C78 C79 123(3) . . ?
N10 C79 H79 120.0 . . ?
C78 C79 N10 120.0 . . ?
C78 C79 H79 120.0 . . ?
C50 C83 H83 117.6 . . ?
C50 C83 C86 125(2) . . ?
C86 C83 H83 117.6 . . ?
C26 C85 C66 117(2) . . ?
C26 C85 H85 121.5 . . ?
C66 C85 H85 121.5 . . ?
C58 C86 H86 120.8 . . ?
C83 C86 C58 118(2) . . ?
C83 C86 H86 120.8 . . ?
O9 C87 C36 119(3) . . ?
O9 C87 C131 120(3) . . ?
C36 C87 C131 121(3) . . ?
O26 C88 C41 115(2) . . ?
O26 C88 C134 123(2) . . ?
C134 C88 C41 121(2) . . ?
O5 C90 C58 116(2) . . ?
O5 C90 C93 120.3(19) . . ?
C93 C90 C58 123(2) . . ?
C36 C91 H91 116.7 . . ?
C94 C91 C36 127(3) . . ?
C94 C91 H91 116.7 . . ?
C41 C92 H92 121.4 . . ?
C128 C92 C41 117(2) . . ?
C128 C92 H92 121.4 . . ?
C19 C93 H93 116.2 . . ?
C90 C93 C19 128(2) . . ?
C90 C93 H93 116.3 . . ?
C91 C94 H94 121.2 . . ?
C91 C94 C129 118(3) . . ?
C129 C94 H94 121.2 . . ?
C20 C95 H95 118.2 . . ?
C121 C95 C20 123(2) . . ?
C121 C95 H95 118.3 . . ?
C96 N11 Eu2 118.0(10) . . ?
C96 N11 C100 120.0 . . ?
C100 N11 Eu2 120.6(10) . . ?
N11 C96 H96 120.0 . . ?
N11 C96 C97 120.0 . . ?
C97 C96 H96 120.0 . . ?
C96 C97 C181 118(2) . . ?
C98 C97 C96 120.0 . . ?
C98 C97 C181 122(2) . . ?
C97 C98 C99 120.0 . . ?
C97 C98 C232 116(2) . . ?
C99 C98 C232 123(2) . . ?
C98 C99 H99 120.0 . . ?
C100 C99 C98 120.0 . . ?
C100 C99 H99 120.0 . . ?
N11 C100 C8 116.4(16) . . ?
C99 C100 C8 123.6(16) . . ?
C99 C100 N11 120.0 . . ?
C20 C101 H101 119.0 . . ?
C20 C101 C137 122(2) . . ?
C137 C101 H101 119.1 . . ?
C109 C102 H102 117.1 . . ?
C109 C102 C136 126(3) . . ?
C136 C102 H102 117.1 . . ?
C104 C103 H103 120.0 . . ?
C104 C103 C108 120.0 . . ?
C108 C103 H103 120.0 . . ?
C103 C104 C138 122.4(16) . . ?
C105 C104 C103 120.0 . . ?
C105 C104 C138 117.6(16) . . ?
C104 C105 H105 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C105 C106 C107 120.0 . . ?
C107 C106 H106 120.0 . . ?
C106 C107 N6 119.7(14) . . ?
C106 C107 C108 120.0 . . ?
C108 C107 N6 120.3(14) . . ?
C103 C108 H108 120.0 . . ?
C107 C108 C103 120.0 . . ?
C107 C108 H108 120.0 . . ?
O7 C109 C26 114(2) . . ?
O7 C109 C102 123(3) . . ?
C102 C109 C26 123(3) . . ?
F1 C110 F7 111(3) . . ?
F1 C110 F16 105(3) . . ?
F1 C110 C150 111(2) . . ?
F7 C110 F16 106(2) . . ?
F7 C110 C150 114(3) . . ?
F16 C110 C150 109(3) . . ?
N12 C111 C52 116.8(13) . . ?
N12 C111 C115 120.0 . . ?
C115 C111 C52 122.9(13) . . ?
C111 N12 Eu3 122.5(9) . . ?
C111 N12 C112 120.0 . . ?
C112 N12 Eu3 117.5(9) . . ?
N12 C112 H112 120.0 . . ?
N12 C112 C113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C113 C198 121.3(17) . . ?
C114 C113 C112 120.0 . . ?
C114 C113 C198 118.5(17) . . ?
C113 C114 C188 117.7(18) . . ?
C115 C114 C113 120.0 . . ?
C115 C114 C188 120.9(19) . . ?
C111 C115 H115 120.0 . . ?
C114 C115 C111 120.0 . . ?
C114 C115 H115 120.0 . . ?
O14 C117 C39 126(2) . . ?
O14 C117 C 114.2(19) . . ?
C39 C117 C 120(2) . . ?
C119 C118 H118 116.9 . . ?
C119 C118 C133 126(3) . . ?
C133 C118 H118 116.9 . . ?
O10 C119 C149 117(2) . . ?
O10 C119 C118 122(3) . . ?
C118 C119 C149 120(3) . . ?
O12 C120 C159 131(3) . . ?
O12 C120 C162 109(3) . . ?
C159 C120 C162 119(3) . . ?
C95 C121 H121 118.3 . . ?
C95 C121 C130 123(2) . . ?
C130 C121 H121 118.3 . . ?
C123 N13 Eu1 121.1(10) . . ?
C123 N13 C127 120.0 . . ?
C127 N13 Eu1 118.7(10) . . ?
N13 C123 C18 115.7(15) . . ?
N13 C123 C124 120.0 . . ?
C124 C123 C18 124.3(15) . . ?
C123 C124 H124 120.0 . . ?
C123 C124 C125 120.0 . . ?
C125 C124 H124 120.0 . . ?
C124 C125 C186 122(2) . . ?
C126 C125 C124 120.0 . . ?
C126 C125 C186 118(2) . . ?
C125 C126 C127 120.0 . . ?
C125 C126 C173 116(2) . . ?
C127 C126 C173 123(2) . . ?
N13 C127 H127 120.0 . . ?
C126 C127 N13 120.0 . . ?
C126 C127 H127 120.0 . . ?
C46 N14 C130 118.7(19) . . ?
C65 N14 C46 118.0(18) . . ?
C65 N14 C130 123(2) . . ?
C236 C128 C92 124(2) . . ?
C236 C128 H128 117.9 . . ?
C92 C128 H128 117.9 . . ?
C94 C129 N6 121(3) . . ?
C94 C129 C141 119(3) . . ?
C141 C129 N6 120(2) . . ?
C121 C130 N14 125(2) . . ?
C121 C130 C137 117(2) . . ?
C137 C130 N14 118(2) . . ?
C87 C131 H131 113.8 . . ?
C87 C131 C172 132(3) . . ?
C172 C131 H131 113.8 . . ?
C36 C132 H132 119.5 . . ?
C141 C132 C36 121(3) . . ?
C141 C132 H132 119.4 . . ?
O19 C133 C118 123(2) . . ?
O19 C133 C229 114(2) . . ?
C118 C133 C229 122(2) . . ?
C88 C134 H134 115.6 . . ?
C88 C134 C175 129(2) . . ?
C175 C134 H134 115.5 . . ?
O17 C135 C147 115(3) . . ?
O17 C135 C158 129(3) . . ?
C158 C135 C147 116(3) . . ?
O6 C136 C102 125(2) . . ?
O6 C136 C165 111(2) . . ?
C102 C136 C165 124(3) . . ?
C101 C137 H137 120.3 . . ?
C130 C137 C101 119(2) . . ?
C130 C137 H137 120.3 . . ?
O22 C138 C104 119(3) . . ?
O22 C138 C157 117(3) . . ?
C157 C138 C104 123(2) . . ?
O16 C140 C31 112.4(17) . . ?
C170 C140 O16 119.4(19) . . ?
C170 C140 C31 128(2) . . ?
C129 C141 H141 119.5 . . ?
C132 C141 C129 121(3) . . ?
C132 C141 H141 119.4 . . ?
C238 C143 H143 118.7 . . ?
C238 C143 C185 105(3) . . ?
C238 C143 C212 106(3) . . ?
C185 C143 H143 118.7 . . ?
C212 C143 H143 118.7 . . ?
C212 C143 C185 83(2) . . ?
O13 C144 C49 117(2) . . ?
O13 C144 C183 124(3) . . ?
C183 C144 C49 119(3) . . ?
F5 C147 C135 125(4) . . ?
F5 C147 F21 97(4) . . ?
F5 C147 F24 104(4) . . ?
C135 C147 F21 109(4) . . ?
F24 C147 C135 116(4) . . ?
F24 C147 F21 102(4) . . ?
C69 C148 H148 114.8 . . ?
C150 C148 C69 130(3) . . ?
C150 C148 H148 114.9 . . ?
O15 C150 C110 111(2) . . ?
O15 C150 C148 125(3) . . ?
C148 C150 C110 123(3) . . ?
C151 N15 Eu4 121.1(13) . . ?
C151 N15 C155 120.0 . . ?
C155 N15 Eu4 117.7(13) . . ?
N15 C151 C152 120.0 . . ?
N15 C151 C208 115(2) . . ?
C152 C151 C208 125(2) . . ?
C151 C152 H152 120.0 . . ?
C151 C152 C153 120.0 . . ?
C153 C152 H152 120.0 . . ?
C152 C153 H153 120.0 . . ?
C152 C153 C154 120.0 . . ?
C154 C153 H153 120.0 . . ?
C153 C154 H154 120.0 . . ?
C155 C154 C153 120.0 . . ?
C155 C154 H154 120.0 . . ?
N15 C155 C75 118.8(19) . . ?
C154 C155 C75 121.1(19) . . ?
C154 C155 N15 120.0 . . ?
O21 C156 C157 127(3) . . ?
O21 C156 C160 111(3) . . ?
C157 C156 C160 121(3) . . ?
C138 C157 H157 115.6 . . ?
C156 C157 C138 129(3) . . ?
C156 C157 H157 115.7 . . ?
C57 C158 H158 118.4 . . ?
C135 C158 C57 123(3) . . ?
C135 C158 H158 118.4 . . ?
C120 C159 H159 119.9 . . ?
C120 C159 C161 120(3) . . ?
C161 C159 H159 119.8 . . ?
F11 C160 F15 109(3) . . ?
F11 C160 F17 113(3) . . ?
F11 C160 C156 110(2) . . ?
F15 C160 C156 109(3) . . ?
F17 C160 F15 108(2) . . ?
F17 C160 C156 108(3) . . ?
O20 C161 C81 117.9(19) . . ?
O20 C161 C159 125.6(17) . . ?
C159 C161 C81 116(2) . . ?
F3 C162 C120 115(3) . . ?
F3 C162 F20 109(3) . . ?
F12 C162 F3 99(3) . . ?
F12 C162 C120 117(4) . . ?
F12 C162 F20 108(2) . . ?
F20 C162 C120 109(3) . . ?
H16C C163 H16D 111.5 . . ?
C167 C163 H16C 114.3 . . ?
C167 C163 H16D 114.5 . . ?
C174 C163 H16C 114.4 . . ?
C174 C163 H16D 114.3 . . ?
C174 C163 C167 86(2) . . ?
H16E C164 H16F 109.5 . . ?
H16E C164 H16G 109.5 . . ?
H16F C164 H16G 109.5 . . ?
C193 C164 H16E 109.4 . . ?
C193 C164 H16F 109.5 . . ?
C193 C164 H16G 109.5 . . ?
F8 C165 F10 109(3) . . ?
F8 C165 C136 118(2) . . ?
F8 C165 F26 99(2) . . ?
F10 C165 C136 111(2) . . ?
F26 C165 F10 102(3) . . ?
F26 C165 C136 116(3) . . ?
H16H C166 H16I 109.5 . . ?
H16H C166 H16J 109.4 . . ?
H16I C166 H16J 109.4 . . ?
C193 C166 H16H 109.5 . . ?
C193 C166 H16I 109.5 . . ?
C193 C166 H16J 109.4 . . ?
C163 C167 H167 116.3 . . ?
C163 C167 C180 104(3) . . ?
C179 C167 C163 88(2) . . ?
C179 C167 H167 116.3 . . ?
C179 C167 C180 112(3) . . ?
C180 C167 H167 116.2 . . ?
C172 O24 Eu4 143.4(15) . 2_656 ?
C72 C168 H16A 108.8 . . ?
C72 C168 H16B 108.6 . . ?
H16A C168 H16B 107.6 . . ?
C178 C168 C72 114(3) . . ?
C178 C168 H16A 108.7 . . ?
C178 C168 H16B 108.7 . . ?
F27 C169 C175 107.0(13) . . ?
F27 C169 F19 105(4) . . ?
F33 C169 F27 123(2) . . ?
F33 C169 C175 108.2(13) . . ?
F33 C169 F19 112(4) . . ?
F19 C169 C175 100(3) . . ?
F19A C169 C175 117(3) . . ?
F27A C169 C175 123(3) . . ?
F27A C169 F19A 79(4) . . ?
F27A C169 F33A 123(4) . . ?
F33A C169 C175 108(3) . . ?
F33A C169 F19A 100(4) . . ?
C140 C170 H170 108.4 . . ?
C140 C170 C202 143(2) . . ?
C202 C170 H170 108.4 . . ?
O24 C172 C131 109(2) . . ?
O24 C172 C199 121(2) . . ?
C199 C172 C131 130(3) . . ?
C126 C173 H173 116.4 . . ?
C126 C173 C194 110(3) . . ?
C126 C173 C211 112(3) . . ?
C194 C173 H173 116.4 . . ?
C211 C173 H173 116.5 . . ?
C211 C173 C194 81(3) . . ?
C62 C174 C163 105(3) . . ?
C62 C174 H174 115.1 . . ?
C62 C174 C179 114(3) . . ?
C163 C174 H174 115.1 . . ?
C163 C174 C179 88(2) . . ?
C179 C174 H174 115.1 . . ?
O18 C175 C134 117(2) . . ?
O18 C175 C169 117.9(18) . . ?
C134 C175 C169 125(2) . . ?
H17C C176 H17D 111.7 . . ?
C198 C176 H17C 114.6 . . ?
C198 C176 H17D 114.6 . . ?
C198 C176 C200 84(3) . . ?
C200 C176 H17C 114.7 . . ?
C200 C176 H17D 114.7 . . ?
H17A C177 H17B 111.7 . . ?
C178 C177 H17A 114.6 . . ?
C178 C177 H17B 114.5 . . ?
C195 C177 H17A 114.5 . . ?
C195 C177 H17B 114.5 . . ?
C195 C177 C178 85(2) . . ?
C168 C178 C177 109(3) . . ?
C168 C178 H178 116.1 . . ?
C177 C178 H178 116.0 . . ?
C225 C178 C168 107(3) . . ?
C225 C178 C177 90(2) . . ?
C225 C178 H178 116.0 . . ?
C167 C179 C174 86(2) . . ?
C209 C179 C167 123(3) . . ?
C209 C179 C174 119(3) . . ?
C209 C179 C210 101(3) . . ?
C210 C179 C167 112(3) . . ?
C210 C179 C174 117(3) . . ?
C61 C180 C167 107(2) . . ?
C61 C180 H18H 110.5 . . ?
C61 C180 H18I 110.2 . . ?
C167 C180 H18H 110.5 . . ?
C167 C180 H18I 110.2 . . ?
H18H C180 H18I 108.6 . . ?
C97 C181 H181 117.2 . . ?
C192 C181 C97 102(3) . . ?
C192 C181 H181 117.2 . . ?
C192 C181 C233 90(3) . . ?
C233 C181 C97 109(3) . . ?
C233 C181 H181 117.1 . . ?
O25 C182 C183 118.0(18) . . ?
O25 C182 C203 118.9(15) . . ?
C183 C182 C203 122.5(16) . . ?
C144 C183 H183 117.4 . . ?
C182 C183 C144 125(3) . . ?
C182 C183 H183 117.4 . . ?
C3 C184 H18A 108.9 . . ?
C3 C184 H18B 109.0 . . ?
H18A C184 H18B 107.8 . . ?
C187 C184 C3 113(3) . . ?
C187 C184 H18A 108.8 . . ?
C187 C184 H18B 109.0 . . ?
C143 C185 H18C 113.4 . . ?
C143 C185 H18D 113.5 . . ?
H18C C185 H18D 110.8 . . ?
C187 C185 C143 91(3) . . ?
C187 C185 H18C 113.5 . . ?
C187 C185 H18D 113.6 . . ?
C125 C186 H186 123.2 . . ?
C191 C186 C125 114(3) . . ?
C191 C186 H186 123.1 . . ?
C184 C187 C185 104(3) . . ?
C184 C187 H187 116.4 . . ?
C184 C187 C212 115(3) . . ?
C185 C187 H187 116.2 . . ?
C185 C187 C212 84(2) . . ?
C212 C187 H187 116.3 . . ?
C114 C188 H18J 111.2 . . ?
C114 C188 H18K 111.2 . . ?
C114 C188 C200 102(3) . . ?
H18J C188 H18K 109.2 . . ?
C200 C188 H18J 111.3 . . ?
C200 C188 H18K 111.3 . . ?
H18E C189 H18F 109.5 . . ?
H18E C189 H18G 109.5 . . ?
H18F C189 H18G 109.5 . . ?
C225 C189 H18E 109.5 . . ?
C225 C189 H18F 109.4 . . ?
C225 C189 H18G 109.5 . . ?
H19F C190 H19G 111.4 . . ?
C197 C190 H19F 114.4 . . ?
C197 C190 H19G 114.0 . . ?
C197 C190 C220 87(3) . . ?
C220 C190 H19F 114.5 . . ?
C220 C190 H19G 113.9 . . ?
C186 C191 H191 115.7 . . ?
C186 C191 C194 112(4) . . ?
C186 C191 C211 113(4) . . ?
C194 C191 H191 115.6 . . ?
C194 C191 C211 81(3) . . ?
C211 C191 H191 115.6 . . ?
C181 C192 H19A 114.8 . . ?
C181 C192 H19B 114.7 . . ?
C181 C192 C231 83(3) . . ?
H19A C192 H19B 111.8 . . ?
C231 C192 H19A 114.6 . . ?
C231 C192 H19B 114.8 . . ?
C164 C193 C166 116(3) . . ?
C164 C193 C198 105(3) . . ?
C164 C193 C200 99(3) . . ?
C166 C193 C198 120(3) . . ?
C200 C193 C166 128(3) . . ?
C200 C193 C198 84(3) . . ?
C191 C194 C173 89(3) . . ?
C191 C194 C228 116(4) . . ?
C227 C194 C173 113(4) . . ?
C227 C194 C191 111(4) . . ?
C227 C194 C228 110(4) . . ?
C228 C194 C173 117(4) . . ?
C73 C195 H195 116.0 . . ?
C177 C195 C73 106(3) . . ?
C177 C195 H195 116.1 . . ?
C177 C195 C225 90(2) . . ?
C225 C195 C73 109(3) . . ?
C225 C195 H195 116.1 . . ?
H19C C196 H19D 109.5 . . ?
H19C C196 H19E 109.5 . . ?
H19D C196 H19E 109.5 . . ?
C212 C196 H19C 109.5 . . ?
C212 C196 H19D 109.6 . . ?
C212 C196 H19E 109.4 . . ?
C78 C197 C190 111(4) . . ?
C78 C197 H197 114.2 . . ?
C78 C197 C219 115(3) . . ?
C190 C197 H197 114.1 . . ?
C190 C197 C219 85(3) . . ?
C219 C197 H197 114.4 . . ?
C113 C198 H198 117.4 . . ?
C176 C198 C113 102(3) . . ?
C176 C198 C193 93(3) . . ?
C176 C198 H198 117.4 . . ?
C193 C198 C113 106(3) . . ?
C193 C198 H198 117.3 . . ?
F18 C199 F22 117.6(12) . . ?
F18 C199 F25 116.7(13) . . ?
F18 C199 C172 99.9(16) . . ?
F22 C199 C172 102.1(16) . . ?
F25 C199 F22 114.2(13) . . ?
F25 C199 C172 102.2(16) . . ?
C176 C200 C188 113(3) . . ?
C176 C200 H200 114.5 . . ?
C188 C200 H200 114.5 . . ?
C193 C200 C176 93(3) . . ?
C193 C200 C188 105(3) . . ?
C193 C200 H200 114.5 . . ?
F23 C201 F29 112.7(12) . . ?
F23 C201 C202 103.1(12) . . ?
F28 C201 F23 113.4(14) . . ?
F28 C201 F29 114.3(13) . . ?
F28 C201 C202 102.6(11) . . ?
F29 C201 C202 109(2) . . ?
O11 C202 C201 109.2(17) . . ?
C170 C202 O11 114.5(17) . . ?
C170 C202 C201 135.5(19) . . ?
F30 C203 C182 104.5(11) . . ?
F30 C203 F31 114.5(13) . . ?
F30 C203 F32 114.5(13) . . ?
F31 C203 C182 103.2(10) . . ?
F32 C203 C182 103.4(10) . . ?
F32 C203 F31 114.7(13) . . ?
C204 N16 Eu4 116.3(15) . . ?
C204 N16 C208 120.0 . . ?
C208 N16 Eu4 122.6(15) . . ?
N16 C204 H204 120.0 . . ?
N16 C204 C205 120.0 . . ?
C205 C204 H204 120.0 . . ?
C204 C205 C206 120.0 . . ?
C204 C205 C217 123(3) . . ?
C206 C205 C217 116(3) . . ?
C205 C206 C218 121(3) . . ?
C207 C206 C205 120.0 . . ?
C207 C206 C218 119(3) . . ?
C206 C207 H207 120.0 . . ?
C206 C207 C208 120.0 . . ?
C208 C207 H207 120.0 . . ?
N16 C208 C151 116(2) . . ?
C207 C208 C151 124(2) . . ?
C207 C208 N16 120.0 . . ?
C179 C209 H20A 113.0 . . ?
C179 C209 H20B 112.4 . . ?
C179 C209 H20C 112.3 . . ?
H20A C209 H20B 106.2 . . ?
H20A C209 H20C 106.0 . . ?
H20B C209 H20C 106.3 . . ?
C179 C210 H21F 109.7 . . ?
C179 C210 H21G 109.3 . . ?
C179 C210 H21H 109.6 . . ?
H21F C210 H21G 109.4 . . ?
H21F C210 H21H 109.4 . . ?
H21G C210 H21H 109.4 . . ?
C173 C211 C191 89(3) . . ?
C173 C211 H21A 113.7 . . ?
C173 C211 H21B 113.8 . . ?
C191 C211 H21A 113.8 . . ?
C191 C211 H21B 113.8 . . ?
H21A C211 H21B 111.0 . . ?
C143 C212 C187 90(2) . . ?
C143 C212 C196 111(3) . . ?
C143 C212 C213 117(3) . . ?
C187 C212 C196 118(3) . . ?
C213 C212 C187 118(3) . . ?
C213 C212 C196 102(3) . . ?
C212 C213 H21C 109.5 . . ?
C212 C213 H21D 109.6 . . ?
C212 C213 H21E 109.5 . . ?
H21C C213 H21D 109.4 . . ?
H21C C213 H21E 109.4 . . ?
H21D C213 H21E 109.4 . . ?
C215 C214 H214 118.8 . . ?
C216 C214 H214 118.9 . . ?
C216 C214 C215 82(3) . . ?
C218 C214 H214 118.9 . . ?
C218 C214 C215 107(5) . . ?
C218 C214 C216 104(3) . . ?
C214 C215 H21I 112.8 . . ?
C214 C215 H21J 112.9 . . ?
C214 C215 C217 94(3) . . ?
H21I C215 H21J 110.3 . . ?
C217 C215 H21I 112.8 . . ?
C217 C215 H21J 112.9 . . ?
C214 C216 C217 95(3) . . ?
C223 C216 C214 111.0(11) . . ?
C223 C216 C217 111.7(11) . . ?
C223 C216 C224 115.3(12) . . ?
C224 C216 C214 111.2(11) . . ?
C224 C216 C217 111.0(11) . . ?
C205 C217 H217 121.3 . . ?
C215 C217 C205 97(3) . . ?
C215 C217 H217 121.3 . . ?
C216 C217 C205 105(2) . . ?
C216 C217 C215 82(3) . . ?
C216 C217 H217 121.3 . . ?
C206 C218 H21K 109.6 . . ?
C206 C218 H21L 109.8 . . ?
C214 C218 C206 110(4) . . ?
C214 C218 H21K 109.7 . . ?
C214 C218 H21L 109.7 . . ?
H21K C218 H21L 108.2 . . ?
C197 C219 C220 86(3) . . ?
C197 C219 C221 112.2(13) . . ?
C197 C219 C222 111.5(13) . . ?
C220 C219 C221 117(3) . . ?
C220 C219 C222 116(3) . . ?
C221 C219 C222 111.6(13) . . ?
C190 C220 C219 84(3) . . ?
C190 C220 H220 116.7 . . ?
C219 C220 H220 116.9 . . ?
C0AA C220 C190 106(3) . . ?
C0AA C220 C219 111(3) . . ?
C0AA C220 H220 116.9 . . ?
C219 C221 H22J 113.5 . . ?
C219 C221 H22K 113.3 . . ?
C219 C221 H22L 113.7 . . ?
H22J C221 H22K 105.2 . . ?
H22J C221 H22L 105.1 . . ?
H22K C221 H22L 105.1 . . ?
C219 C222 H22M 118.6 . . ?
C219 C222 H22N 118.2 . . ?
C219 C222 H22O 118.6 . . ?
H22M C222 H22N 99.1 . . ?
H22M C222 H22O 99.1 . . ?
H22N C222 H22O 99.3 . . ?
C216 C223 H22P 109.0 . . ?
C216 C223 H22Q 109.7 . . ?
C216 C223 H22R 109.7 . . ?
H22P C223 H22Q 109.5 . . ?
H22P C223 H22R 109.5 . . ?
H22Q C223 H22R 109.5 . . ?
C216 C224 H22S 109.5 . . ?
C216 C224 H22T 109.5 . . ?
C216 C224 H22U 109.5 . . ?
H22S C224 H22T 109.5 . . ?
H22S C224 H22U 109.5 . . ?
H22T C224 H22U 109.5 . . ?
C178 C225 C189 123(3) . . ?
C178 C225 C195 85(2) . . ?
C178 C225 C226 110(3) . . ?
C189 C225 C195 120(3) . . ?
C226 C225 C189 108(3) . . ?
C226 C225 C195 109(3) . . ?
C225 C226 H22A 109.4 . . ?
C225 C226 H22B 109.4 . . ?
C225 C226 H22C 109.6 . . ?
H22A C226 H22B 109.5 . . ?
H22A C226 H22C 109.5 . . ?
H22B C226 H22C 109.5 . . ?
C194 C227 H22D 108.6 . . ?
C194 C227 H22E 110.3 . . ?
C194 C227 H22F 109.5 . . ?
H22D C227 H22E 109.5 . . ?
H22D C227 H22F 109.5 . . ?
H22E C227 H22F 109.5 . . ?
C194 C228 H22G 109.3 . . ?
C194 C228 H22H 109.6 . . ?
C194 C228 H22I 109.5 . . ?
H22G C228 H22H 109.5 . . ?
H22G C228 H22I 109.5 . . ?
H22H C228 H22I 109.5 . . ?
F4 C229 F13 98(3) . . ?
F4 C229 F14 118(2) . . ?
F4 C229 C133 110(2) . . ?
F13 C229 C133 106(2) . . ?
F14 C229 F13 112(2) . . ?
F14 C229 C133 111(2) . . ?
H23A C230 H23B 109.5 . . ?
H23A C230 H23C 109.5 . . ?
H23B C230 H23C 109.5 . . ?
C233 C230 H23A 109.5 . . ?
C233 C230 H23B 109.4 . . ?
C233 C230 H23C 109.5 . . ?
C192 C231 H231 113.0 . . ?
C192 C231 C232 113(3) . . ?
C232 C231 H231 113.1 . . ?
C233 C231 C192 90(3) . . ?
C233 C231 H231 113.0 . . ?
C233 C231 C232 113(3) . . ?
C98 C232 C231 104(3) . . ?
C98 C232 H23D 110.8 . . ?
C98 C232 H23E 111.0 . . ?
C231 C232 H23D 110.8 . . ?
C231 C232 H23E 110.8 . . ?
H23D C232 H23E 108.9 . . ?
C181 C233 C230 111(3) . . ?
C231 C233 C181 83(3) . . ?
C231 C233 C230 102(3) . . ?
C231 C233 C234 118(4) . . ?
C234 C233 C181 115(3) . . ?
C234 C233 C230 121(3) . . ?
C233 C234 H23F 109.6 . . ?
C233 C234 H23G 109.6 . . ?
C233 C234 H23H 109.3 . . ?
H23F C234 H23G 109.5 . . ?
H23F C234 H23H 109.5 . . ?
H23G C234 H23H 109.5 . . ?
C77 C0AA H0AA 122.0 . . ?
C220 C0AA C77 116.1(15) . . ?
C220 C0AA H0AA 122.0 . . ?
F237 C C117 119(2) . . ?
F237 C F235 111(3) . . ?
F237 C F238 102(2) . . ?
F235 C C117 119(2) . . ?
F235 C F238 87(2) . . ?
F238 C C117 113(2) . . ?
C25 C23 H23 136.3 . . ?
C25 C23 O23 87(4) . . ?
O23 C23 H23 136.3 . . ?
C23 C25 C25 104(4) . 2_757 ?
C23 C25 H25 128.2 . . ?
C25 C25 H25 128.2 2_757 . ?
C23 O23 C23 129(4) 2_757 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.419(19) 2_757 ?
Eu1 O5 2.387(15) 2_757 ?
Eu1 O8 2.409(14) . ?
Eu1 O12 2.432(18) . ?
Eu1 O14 2.465(18) . ?
Eu1 N3 2.625(14) . ?
Eu1 N5 2.614(11) . ?
Eu1 O20 2.398(16) . ?
Eu1 N13 2.617(14) . ?
Eu2 O1 2.400(15) . ?
Eu2 O26 2.407(15) . ?
Eu2 O10 2.386(17) 2_757 ?
Eu2 O17 2.442(19) . ?
Eu2 O18 2.447(17) . ?
Eu2 O19 2.48(2) 2_757 ?
Eu2 N4 2.594(12) . ?
Eu2 N9 2.539(12) . ?
Eu2 N11 2.588(15) . ?
Eu3 O4 2.419(14) . ?
Eu3 O6 2.474(18) 2_656 ?
Eu3 O7 2.405(15) 2_656 ?
Eu3 O11 2.482(17) . ?
Eu3 O15 2.435(18) . ?
Eu3 O16 2.425(17) . ?
Eu3 N7 2.614(11) . ?
Eu3 N8 2.631(14) . ?
Eu3 N12 2.592(13) . ?
Eu4 O9 2.397(18) 2_656 ?
Eu4 O13 2.423(19) . ?
Eu4 O21 2.43(2) . ?
Eu4 O22 2.367(16) . ?
Eu4 O25 2.438(18) . ?
Eu4 N10 2.603(15) . ?
Eu4 N15 2.627(15) . ?
Eu4 O24 2.41(2) 2_656 ?
Eu4 N16 2.582(18) . ?
O1 C57 1.26(2) . ?
O26 C88 1.25(3) . ?
O3 C19 1.32(2) . ?
O4 C69 1.25(2) . ?
O5 C90 1.29(3) . ?
O6 C136 1.25(3) . ?
O7 C109 1.27(3) . ?
N1 C236 1.44(3) . ?
N1 C35 1.411(19) . ?
N1 C50 1.45(3) . ?
O8 C33 1.25(3) . ?
O9 C87 1.29(3) . ?
O10 C119 1.28(3) . ?
O11 C202 1.44(3) . ?
O12 C120 1.29(3) . ?
O13 C144 1.19(3) . ?
O14 C117 1.26(3) . ?
O15 C150 1.26(3) . ?
O16 C140 1.31(3) . ?
N2 C6 1.40(2) . ?
N2 C24 1.42(2) . ?
N2 C82 1.43(2) . ?
N3 C1 1.3900 . ?
N3 C5 1.3900 . ?
C1 H1 0.9300 . ?
C1 C238 1.3900 . ?
C238 C3 1.3900 . ?
C238 C143 1.48(3) . ?
C3 C4 1.3900 . ?
C3 C184 1.58(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 C14 1.445(18) . ?
O17 C135 1.19(3) . ?
O18 C175 1.31(3) . ?
C6 C42 1.3900 . ?
C6 C80 1.3900 . ?
C42 H42 0.9300 . ?
C42 C84 1.3900 . ?
C84 H84 0.9300 . ?
C84 C81 1.3900 . ?
C81 C89 1.3900 . ?
C81 C161 1.513(12) . ?
C89 H89 0.9300 . ?
C89 C80 1.3900 . ?
C80 H80 0.9300 . ?
C7 H7 0.9300 . ?
C7 C22 1.3900 . ?
C7 C32 1.3900 . ?
C22 H22 0.9300 . ?
C22 C24 1.3900 . ?
C24 C146 1.3900 . ?
C146 H146 0.9300 . ?
C146 C145 1.3900 . ?
C145 H145 0.9300 . ?
C145 C32 1.3900 . ?
C32 C57 1.48(2) . ?
O19 C133 1.30(3) . ?
C8 C9 1.3900 . ?
C8 N4 1.3900 . ?
C8 C100 1.427(19) . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 N4 1.3900 . ?
C12 C70 1.42(2) . ?
C13 H13 0.9300 . ?
C13 C21 1.34(3) . ?
C13 C58 1.39(3) . ?
N5 C14 1.3900 . ?
N5 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C15 C16 1.3900 . ?
C16 H16 0.9300 . ?
C16 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C18 1.3900 . ?
C18 C123 1.48(2) . ?
C19 C40 1.462(13) . ?
C19 C93 1.46(3) . ?
C20 C69 1.47(3) . ?
C20 C95 1.37(3) . ?
C20 C101 1.38(3) . ?
C21 H21 0.9300 . ?
C21 C50 1.39(3) . ?
O20 C161 1.26(3) . ?
N6 C28 1.45(2) . ?
N6 C107 1.45(2) . ?
N6 C129 1.42(3) . ?
C26 C51 1.40(3) . ?
C26 C85 1.38(3) . ?
C26 C109 1.49(3) . ?
F1 C110 1.215(13) . ?
C236 C38 1.36(3) . ?
C236 C128 1.35(3) . ?
O21 C156 1.25(3) . ?
C235 H235 0.9300 . ?
C235 C27 1.3900 . ?
C235 C31 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 C140 1.484(12) . ?
F2 C40 1.225(13) . ?
C33 C43 1.53(3) . ?
C33 C39 1.37(3) . ?
C34 H34 0.9300 . ?
C34 C116 1.3900 . ?
C34 C82 1.3900 . ?
C116 H116 0.9300 . ?
C116 C149 1.3900 . ?
C149 C171 1.3900 . ?
C149 C119 1.49(3) . ?
C171 H171 0.9300 . ?
C171 C142 1.3900 . ?
C142 H142 0.9300 . ?
C142 C82 1.3900 . ?
C35 C64 1.3900 . ?
C35 C122 1.3900 . ?
C64 H64 0.9300 . ?
C64 C67 1.3900 . ?
C67 H67 0.9300 . ?
C67 C43 1.3900 . ?
C43 C139 1.3900 . ?
C139 H139 0.9300 . ?
C139 C122 1.3900 . ?
C122 H122 0.9300 . ?
C36 C87 1.44(4) . ?
C36 C91 1.40(4) . ?
C36 C132 1.38(4) . ?
C37 H37 0.9300 . ?
C37 C51 1.40(3) . ?
C37 C65 1.34(3) . ?
C38 H38 0.9300 . ?
C38 C68 1.41(3) . ?
C39 H39 0.9300 . ?
C39 C117 1.428(13) . ?
C40 F6 1.211(12) . ?
C40 F9 1.219(12) . ?
C41 C68 1.42(3) . ?
C41 C88 1.51(3) . ?
C41 C92 1.40(3) . ?
O22 C138 1.22(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.3900 . ?
C44 C49 1.3900 . ?
C45 H45 0.9300 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C46 N14 1.42(2) . ?
C47 H47 0.9300 . ?
C47 C48 1.3900 . ?
C48 H48 0.9300 . ?
C48 C49 1.3900 . ?
C49 C144 1.51(3) . ?
C50 C83 1.35(3) . ?
C51 H51 0.9300 . ?
N7 C52 1.3900 . ?
N7 C56 1.3900 . ?
C52 C53 1.3900 . ?
C52 C111 1.408(19) . ?
C53 H53 0.9300 . ?
C53 C54 1.3900 . ?
C54 H54 0.9300 . ?
C54 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C56 1.3900 . ?
C56 C59 1.400(18) . ?
C57 C158 1.43(3) . ?
C58 C86 1.38(3) . ?
C58 C90 1.468(12) . ?
N8 C59 1.3900 . ?
N8 C63 1.3900 . ?
C59 C60 1.3900 . ?
C60 H60 0.9300 . ?
C60 C61 1.3900 . ?
C61 C62 1.3900 . ?
C61 C180 1.48(3) . ?
C62 C63 1.3900 . ?
C62 C174 1.45(3) . ?
C63 H63 0.9300 . ?
O25 C182 1.32(2) . ?
C65 C66 1.34(3) . ?
C65 N14 1.38(3) . ?
C66 H66 0.9300 . ?
C66 C85 1.51(3) . ?
C68 H68 0.9300 . ?
C69 C148 1.34(3) . ?
N9 C70 1.3900 . ?
N9 C74 1.3900 . ?
C70 C71 1.3900 . ?
C71 H71 0.9300 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C72 C168 1.54(3) . ?
C73 C74 1.3900 . ?
C73 C195 1.54(4) . ?
C74 H74 0.9300 . ?
N10 C75 1.3900 . ?
N10 C79 1.3900 . ?
C75 C76 1.3900 . ?
C75 C155 1.46(3) . ?
C76 H76 0.9300 . ?
C76 C77 1.3900 . ?
C77 C78 1.3900 . ?
C77 C0AA 1.468(13) . ?
C78 C79 1.3900 . ?
C78 C197 1.37(4) . ?
C79 H79 0.9300 . ?
C83 H83 0.9300 . ?
C83 C86 1.37(3) . ?
C85 H85 0.9300 . ?
F3 C162 1.28(4) . ?
C86 H86 0.9300 . ?
C87 C131 1.46(4) . ?
C88 C134 1.34(3) . ?
C90 C93 1.40(3) . ?
F4 C229 1.23(2) . ?
C91 H91 0.9300 . ?
C91 C94 1.35(3) . ?
C92 H92 0.9300 . ?
C92 C128 1.39(3) . ?
C93 H93 0.9300 . ?
F5 C147 1.26(4) . ?
F7 C110 1.227(13) . ?
C94 H94 0.9300 . ?
C94 C129 1.38(4) . ?
C95 H95 0.9300 . ?
C95 C121 1.33(3) . ?
N11 C96 1.3900 . ?
N11 C100 1.3900 . ?
C96 H96 0.9300 . ?
C96 C97 1.3900 . ?
C97 C98 1.3900 . ?
C97 C181 1.54(4) . ?
C98 C99 1.3900 . ?
C98 C232 1.51(4) . ?
C99 H99 0.9300 . ?
C99 C100 1.3900 . ?
F8 C165 1.230(13) . ?
C101 H101 0.9300 . ?
C101 C137 1.41(3) . ?
C102 H102 0.9300 . ?
C102 C109 1.33(3) . ?
C102 C136 1.36(3) . ?
C103 H103 0.9300 . ?
C103 C104 1.3900 . ?
C103 C108 1.3900 . ?
C104 C105 1.3900 . ?
C104 C138 1.48(3) . ?
C105 H105 0.9300 . ?
C105 C106 1.3900 . ?
C106 H106 0.9300 . ?
C106 C107 1.3900 . ?
C107 C108 1.3900 . ?
C108 H108 0.9300 . ?
F10 C165 1.236(13) . ?
F11 C160 1.216(13) . ?
C110 F16 1.229(13) . ?
C110 C150 1.61(4) . ?
C111 N12 1.3900 . ?
C111 C115 1.3900 . ?
N12 C112 1.3900 . ?
C112 H112 0.9300 . ?
C112 C113 1.3900 . ?
C113 C114 1.3900 . ?
C113 C198 1.54(4) . ?
C114 C115 1.3900 . ?
C114 C188 1.61(4) . ?
C115 H115 0.9300 . ?
F12 C162 1.27(4) . ?
C117 C 1.456(13) . ?
C118 H118 0.9300 . ?
C118 C119 1.41(4) . ?
C118 C133 1.43(4) . ?
C120 C159 1.37(3) . ?
C120 C162 1.50(4) . ?
F13 C229 1.28(2) . ?
C121 H121 0.9300 . ?
C121 C130 1.34(3) . ?
N13 C123 1.3900 . ?
N13 C127 1.3900 . ?
C123 C124 1.3900 . ?
C124 H124 0.9300 . ?
C124 C125 1.3900 . ?
C125 C126 1.3900 . ?
C125 C186 1.417(13) . ?
C126 C127 1.3900 . ?
C126 C173 1.39(4) . ?
C127 H127 0.9300 . ?
N14 C130 1.43(3) . ?
C128 H128 0.9300 . ?
C129 C141 1.40(3) . ?
F14 C229 1.27(2) . ?
F15 C160 1.227(13) . ?
C130 C137 1.40(3) . ?
C131 H131 0.9300 . ?
C131 C172 1.52(4) . ?
C132 H132 0.9300 . ?
C132 C141 1.38(3) . ?
F17 C160 1.225(13) . ?
C133 C229 1.462(13) . ?
C134 H134 0.9300 . ?
C134 C175 1.404(13) . ?
C135 C147 1.42(5) . ?
C135 C158 1.40(3) . ?
C136 C165 1.484(13) . ?
C137 H137 0.9300 . ?
C138 C157 1.37(3) . ?
C140 C170 1.293(12) . ?
F18 C199 1.270(12) . ?
C141 H141 0.9300 . ?
C143 H143 0.9800 . ?
C143 C185 1.512(13) . ?
C143 C212 1.510(13) . ?
C144 C183 1.45(4) . ?
F20 C162 1.42(4) . ?
C147 F21 1.45(5) . ?
C147 F24 1.32(5) . ?
C148 H148 0.9300 . ?
C148 C150 1.31(3) . ?
F22 C199 1.279(12) . ?
N15 C151 1.3900 . ?
N15 C155 1.3900 . ?
C151 C152 1.3900 . ?
C151 C208 1.47(3) . ?
C152 H152 0.9300 . ?
C152 C153 1.3900 . ?
C153 H153 0.9300 . ?
C153 C154 1.3900 . ?
C154 H154 0.9300 . ?
C154 C155 1.3900 . ?
C156 C157 1.34(4) . ?
C156 C160 1.63(4) . ?
F23 C201 1.289(12) . ?
C157 H157 0.9300 . ?
C158 H158 0.9300 . ?
C159 H159 0.9300 . ?
C159 C161 1.42(3) . ?
F25 C199 1.274(12) . ?
C163 H16C 0.9700 . ?
C163 H16D 0.9700 . ?
C163 C167 1.510(13) . ?
C163 C174 1.504(13) . ?
F26 C165 1.232(13) . ?
C164 H16E 0.9600 . ?
C164 H16F 0.9600 . ?
C164 H16G 0.9600 . ?
C164 C193 1.496(13) . ?
C166 H16H 0.9602 . ?
C166 H16I 0.9602 . ?
C166 H16J 0.9602 . ?
C166 C193 1.504(13) . ?
C167 H167 0.9800 . ?
C167 C179 1.505(13) . ?
C167 C180 1.64(4) . ?
O24 C172 1.35(3) . ?
C168 H16A 0.9700 . ?
C168 H16B 0.9700 . ?
C168 C178 1.50(4) . ?
C169 F27 1.236(11) . ?
C169 C175 1.489(13) . ?
C169 F33 1.234(11) . ?
C169 F19 1.248(11) . ?
C169 F19A 1.30(2) . ?
C169 F27A 1.27(2) . ?
C169 F33A 1.29(2) . ?
C170 H170 0.9300 . ?
C170 C202 1.296(13) . ?
C172 C199 1.508(13) . ?
C173 H173 0.9800 . ?
C173 C194 1.512(13) . ?
C173 C211 1.507(13) . ?
C174 H174 0.9800 . ?
C174 C179 1.509(13) . ?
C176 H17C 0.9700 . ?
C176 H17D 0.9700 . ?
C176 C198 1.503(13) . ?
C176 C200 1.504(13) . ?
F28 C201 1.274(12) . ?
C177 H17A 0.9700 . ?
C177 H17B 0.9700 . ?
C177 C178 1.513(13) . ?
C177 C195 1.505(13) . ?
C178 H178 0.9800 . ?
C178 C225 1.496(13) . ?
C179 C209 1.497(13) . ?
C179 C210 1.504(13) . ?
C180 H18H 0.9700 . ?
C180 H18I 0.9700 . ?
C181 H181 0.9800 . ?
C181 C192 1.493(13) . ?
C181 C233 1.503(13) . ?
C182 C183 1.44(3) . ?
C182 C203 1.517(12) . ?
C183 H183 0.9300 . ?
C184 H18A 0.9700 . ?
C184 H18B 0.9700 . ?
C184 C187 1.43(4) . ?
C185 H18C 0.9700 . ?
C185 H18D 0.9700 . ?
C185 C187 1.499(13) . ?
C186 H186 0.9300 . ?
C186 C191 1.403(13) . ?
C187 H187 0.9800 . ?
C187 C212 1.512(13) . ?
C188 H18J 0.9700 . ?
C188 H18K 0.9700 . ?
C188 C200 1.65(5) . ?
C189 H18E 0.9601 . ?
C189 H18F 0.9601 . ?
C189 H18G 0.9601 . ?
C189 C225 1.504(13) . ?
F29 C201 1.290(12) . ?
C190 H19F 0.9700 . ?
C190 H19G 0.9700 . ?
C190 C197 1.501(13) . ?
C190 C220 1.500(13) . ?
C191 H191 0.9800 . ?
C191 C194 1.507(13) . ?
C191 C211 1.509(13) . ?
C192 H19A 0.9700 . ?
C192 H19B 0.9700 . ?
C192 C231 1.504(13) . ?
C193 C198 1.510(13) . ?
C193 C200 1.504(13) . ?
C194 C227 1.507(13) . ?
C194 C228 1.511(13) . ?
C195 H195 0.9800 . ?
C195 C225 1.508(13) . ?
C196 H19C 0.9600 . ?
C196 H19D 0.9600 . ?
C196 H19E 0.9600 . ?
C196 C212 1.518(13) . ?
C197 H197 0.9800 . ?
C197 C219 1.501(13) . ?
C198 H198 0.9800 . ?
C200 H200 0.9800 . ?
C201 C202 1.518(12) . ?
C203 F30 1.271(12) . ?
C203 F31 1.285(12) . ?
C203 F32 1.274(12) . ?
N16 C204 1.3900 . ?
N16 C208 1.3900 . ?
C204 H204 0.9300 . ?
C204 C205 1.3900 . ?
C205 C206 1.3900 . ?
C205 C217 1.59(4) . ?
C206 C207 1.3900 . ?
C206 C218 1.56(5) . ?
C207 H207 0.9300 . ?
C207 C208 1.3900 . ?
C209 H20A 0.9922 . ?
C209 H20B 0.9906 . ?
C209 H20C 0.9903 . ?
C210 H21F 0.9608 . ?
C210 H21G 0.9608 . ?
C210 H21H 0.9608 . ?
C211 H21A 0.9700 . ?
C211 H21B 0.9700 . ?
C212 C213 1.510(13) . ?
C213 H21C 0.9605 . ?
C213 H21D 0.9605 . ?
C213 H21E 0.9605 . ?
C214 H214 0.9800 . ?
C214 C215 1.551(10) . ?
C214 C216 1.547(9) . ?
C214 C218 1.499(13) . ?
C215 H21I 0.9700 . ?
C215 H21J 0.9700 . ?
C215 C217 1.553(10) . ?
C216 C217 1.547(9) . ?
C216 C223 1.481(12) . ?
C216 C224 1.490(12) . ?
C217 H217 0.9800 . ?
C218 H21K 0.9700 . ?
C218 H21L 0.9700 . ?
C219 C220 1.508(13) . ?
C219 C221 1.511(13) . ?
C219 C222 1.513(13) . ?
C220 H220 0.9800 . ?
C220 C0AA 1.460(13) . ?
C221 H22J 1.0008 . ?
C221 H22K 0.9997 . ?
C221 H22L 1.0014 . ?
C222 H22M 1.0515 . ?
C222 H22N 1.0488 . ?
C222 H22O 1.0519 . ?
C223 H22P 0.9600 . ?
C223 H22Q 0.9599 . ?
C223 H22R 0.9600 . ?
C224 H22S 0.9601 . ?
C224 H22T 0.9601 . ?
C224 H22U 0.9601 . ?
C225 C226 1.505(13) . ?
C226 H22A 0.9600 . ?
C226 H22B 0.9600 . ?
C226 H22C 0.9600 . ?
C227 H22D 0.9602 . ?
C227 H22E 0.9605 . ?
C227 H22F 0.9592 . ?
C228 H22G 0.9600 . ?
C228 H22H 0.9600 . ?
C228 H22I 0.9600 . ?
C230 H23A 0.9600 . ?
C230 H23B 0.9600 . ?
C230 H23C 0.9600 . ?
C230 C233 1.504(13) . ?
C231 H231 0.9800 . ?
C231 C232 1.66(5) . ?
C231 C233 1.498(13) . ?
C232 H23D 0.9700 . ?
C232 H23E 0.9700 . ?
C233 C234 1.503(13) . ?
C234 H23F 0.9601 . ?
C234 H23G 0.9601 . ?
C234 H23H 0.9601 . ?
C0AA H0AA 0.9300 . ?
F237 C 1.273(13) . ?
F235 C 1.275(13) . ?
C F238 1.287(13) . ?
C23 H23 0.9300 . ?
C23 C25 1.35(5) . ?
C23 O23 1.68(5) . ?
C25 C25 2.05(9) 2_757 ?
C25 H25 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1 O5 0.93 2.43 2.95(2) 115.7 2_757 yes
C13 H13 O5 0.93 2.40 2.74(3) 101.4 . yes
C17 H17 F29 0.93 2.54 3.09(3) 117.9 3 yes
C39 H39 F237 0.93 2.48 2.79(3) 100.0 . yes
C63 H63 O15 0.93 2.60 3.05(3) 110.3 . yes
C74 H74 O10 0.93 2.68 3.29(2) 124.1 2_757 yes
C74 H74 O19 0.93 2.73 3.07(3) 102.6 2_757 yes
C79 H79 O9 0.93 2.61 3.23(3) 124.7 2_656 yes
C96 H96 O1 0.93 2.76 3.24(3) 113.4 . yes
C96 H96 O26 0.93 2.46 2.95(3) 112.4 . yes
C112 H112 O16 0.93 2.63 3.27(2) 126.9 . yes
C124 H124 F23 0.93 2.37 3.17(2) 143.9 3 yes
C127 H127 O8 0.93 2.64 3.29(2) 127.2 . yes
C148 H148 F1 0.93 2.41 2.77(3) 103.0 . yes
C157 H157 F11 0.93 2.39 2.75(4) 102.9 . yes
C158 H158 F5 0.93 2.43 2.77(3) 101.6 . yes
C159 H159 F3 0.93 2.39 2.71(3) 100.2 . yes
C170 H170 F28 0.93 2.37 2.74(3) 103.6 . yes
C187 H187 F14 0.98 2.66 3.18(4) 113.4 4_757 yes
C188 H18J F15 0.97 2.70 3.23(5) 114.9 3_445 yes
C204 H204 O13 0.93 2.32 2.83(3) 114.4 . yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O3 C19 C40 -155.4(16) 2_757 . . . ?
Eu1 O3 C19 C93 31(4) 2_757 . . . ?
Eu1 O5 C90 C58 161.2(14) 2_757 . . . ?
Eu1 O5 C90 C93 -13(4) 2_757 . . . ?
Eu1 O8 C33 C43 140.9(15) . . . . ?
Eu1 O8 C33 C39 -39(4) . . . . ?
Eu1 O12 C120 C159 17(6) . . . . ?
Eu1 O12 C120 C162 -170(2) . . . . ?
Eu1 O14 C117 C39 14(5) . . . . ?
Eu1 O14 C117 C -166.2(18) . . . . ?
Eu1 N3 C1 C238 163.1(11) . . . . ?
Eu1 N3 C5 C4 -162.9(11) . . . . ?
Eu1 N3 C5 C14 12.1(15) . . . . ?
Eu1 N5 C14 C5 -14.3(15) . . . . ?
Eu1 N5 C14 C15 171.1(10) . . . . ?
Eu1 N5 C18 C17 -171.2(10) . . . . ?
Eu1 N5 C18 C123 12.1(16) . . . . ?
Eu1 O20 C161 C81 -179.4(14) . . . . ?
Eu1 O20 C161 C159 -3(5) . . . . ?
Eu1 N13 C123 C18 6.7(16) . . . . ?
Eu1 N13 C123 C124 -174.4(12) . . . . ?
Eu1 N13 C127 C126 174.5(11) . . . . ?
Eu2 O1 C57 C32 172.2(15) . . . . ?
Eu2 O1 C57 C158 -5(4) . . . . ?
Eu2 O26 C88 C41 -176.3(17) . . . . ?
Eu2 O26 C88 C134 4(5) . . . . ?
Eu2 O10 C119 C149 140.8(17) 2_757 . . . ?
Eu2 O10 C119 C118 -36(4) 2_757 . . . ?
Eu2 O17 C135 C147 -175(3) . . . . ?
Eu2 O17 C135 C158 -3(6) . . . . ?
Eu2 O18 C175 C134 5(6) . . . . ?
Eu2 O18 C175 C169 -172.3(18) . . . . ?
Eu2 O19 C133 C118 11(5) 2_757 . . . ?
Eu2 O19 C133 C229 -162.9(17) 2_757 . . . ?
Eu2 N9 C70 C12 15.3(16) . . . . ?
Eu2 N9 C70 C71 -166.3(11) . . . . ?
Eu2 N9 C74 C73 166.7(11) . . . . ?
Eu2 N11 C96 C97 166.7(12) . . . . ?
Eu2 N11 C100 C8 14.7(16) . . . . ?
Eu2 N11 C100 C99 -166.3(12) . . . . ?
Eu3 O4 C69 C20 -143.6(18) . . . . ?
Eu3 O4 C69 C148 30(4) . . . . ?
Eu3 O6 C136 C102 -16(5) 2_656 . . . ?
Eu3 O6 C136 C165 161.8(18) 2_656 . . . ?
Eu3 O7 C109 C26 -157.0(16) 2_656 . . . ?
Eu3 O7 C109 C102 24(4) 2_656 . . . ?
Eu3 O11 C202 C170 5(5) . . . . ?
Eu3 O11 C202 C201 -165.9(15) . . . . ?
Eu3 O15 C150 C110 172.6(18) . . . . ?
Eu3 O15 C150 C148 -18(5) . . . . ?
Eu3 O16 C140 C31 176.9(14) . . . . ?
Eu3 O16 C140 C170 -4(5) . . . . ?
Eu3 N7 C52 C53 -174.0(10) . . . . ?
Eu3 N7 C52 C111 8.6(16) . . . . ?
Eu3 N7 C56 C55 174.2(10) . . . . ?
Eu3 N7 C56 C59 -15.4(15) . . . . ?
Eu3 N8 C59 C56 -28.6(14) . . . . ?
Eu3 N8 C59 C60 152.4(10) . . . . ?
Eu3 N8 C63 C62 -152.9(10) . . . . ?
Eu3 N12 C112 C113 -179.8(12) . . . . ?
Eu4 O9 C87 C36 -144(2) 2_656 . . . ?
Eu4 O9 C87 C131 44(4) 2_656 . . . ?
Eu4 O13 C144 C49 -173.5(17) . . . . ?
Eu4 O13 C144 C183 4(6) . . . . ?
Eu4 O21 C156 C157 -21(6) . . . . ?
Eu4 O21 C156 C160 171.7(19) . . . . ?
Eu4 O22 C138 C104 -171.3(17) . . . . ?
Eu4 O22 C138 C157 15(5) . . . . ?
Eu4 O25 C182 C183 -28(5) . . . . ?
Eu4 O25 C182 C203 160.8(16) . . . . ?
Eu4 N10 C75 C76 162.9(14) . . . . ?
Eu4 N10 C75 C155 -14(2) . . . . ?
Eu4 N10 C79 C78 -163.2(13) . . . . ?
Eu4 N15 C151 C152 -167.5(12) . . . . ?
Eu4 N15 C151 C208 15.4(19) . . . . ?
Eu4 N15 C155 C75 -15.9(19) . . . . ?
Eu4 N15 C155 C154 167.9(12) . . . . ?
Eu4 O24 C172 C131 -17(5) 2_656 . . . ?
Eu4 O24 C172 C199 165.2(19) 2_656 . . . ?
Eu4 N16 C204 C205 -168.2(15) . . . . ?
Eu4 N16 C208 C151 -10(2) . . . . ?
Eu4 N16 C208 C207 167.5(16) . . . . ?
O1 C57 C158 C135 -2(4) . . . . ?
O26 C88 C134 C175 1(6) . . . . ?
O3 C19 C40 F2 61(3) . . . . ?
O3 C19 C40 F6 174(3) . . . . ?
O3 C19 C40 F9 -54(3) . . . . ?
O3 C19 C93 C90 -7(4) . . . . ?
O4 C69 C148 C150 -7(5) . . . . ?
O5 C90 C93 C19 -1(4) . . . . ?
O6 C136 C165 F8 -174(3) . . . . ?
O6 C136 C165 F10 60(4) . . . . ?
O6 C136 C165 F26 -57(4) . . . . ?
N1 C236 C38 C68 -179(2) . . . . ?
N1 C236 C128 C92 -179(2) . . . . ?
N1 C35 C64 C67 -179.8(15) . . . . ?
N1 C35 C122 C139 179.8(15) . . . . ?
N1 C50 C83 C86 175(2) . . . . ?
O8 C33 C43 C67 -32(3) . . . . ?
O8 C33 C43 C139 149.8(17) . . . . ?
O8 C33 C39 C117 16(5) . . . . ?
O9 C87 C131 C172 -17(6) . . . . ?
O12 C120 C159 C161 0(6) . . . . ?
O12 C120 C162 F3 178(4) . . . . ?
O12 C120 C162 F12 -67(4) . . . . ?
O12 C120 C162 F20 55(4) . . . . ?
O13 C144 C183 C182 7(6) . . . . ?
O14 C117 C F237 176(3) . . . . ?
O14 C117 C F235 35(4) . . . . ?
O14 C117 C F238 -65(4) . . . . ?
O16 C140 C170 C202 -6(8) . . . . ?
N2 C6 C42 C84 174.2(18) . . . . ?
N2 C6 C80 C89 -174.1(19) . . . . ?
N2 C24 C146 C145 179.0(17) . . . . ?
N3 C1 C238 C3 0.0 . . . . ?
N3 C1 C238 C143 174(2) . . . . ?
N3 C5 C14 N5 1.4(18) . . . . ?
N3 C5 C14 C15 175.7(10) . . . . ?
C1 N3 C5 C4 0.0 . . . . ?
C1 N3 C5 C14 175.0(16) . . . . ?
C1 C238 C3 C4 0.0 . . . . ?
C1 C238 C3 C184 -178(2) . . . . ?
C1 C238 C143 C185 -139(2) . . . . ?
C1 C238 C143 C212 134(2) . . . . ?
C238 C3 C4 C5 0.0 . . . . ?
C238 C3 C184 C187 -2(4) . . . . ?
C238 C143 C185 C187 -80(3) . . . . ?
C238 C143 C212 C187 78(3) . . . . ?
C238 C143 C212 C196 -161(3) . . . . ?
C238 C143 C212 C213 -44(4) . . . . ?
C3 C238 C143 C185 35(3) . . . . ?
C3 C238 C143 C212 -53(3) . . . . ?
C3 C4 C5 N3 0.0 . . . . ?
C3 C4 C5 C14 -174.8(17) . . . . ?
C3 C184 C187 C185 -49(4) . . . . ?
C3 C184 C187 C212 41(4) . . . . ?
C4 C3 C184 C187 -179(2) . . . . ?
C4 C5 C14 N5 176.3(10) . . . . ?
C4 C5 C14 C15 -9.4(18) . . . . ?
C5 N3 C1 C238 0.0 . . . . ?
C5 C14 C15 C16 -174.2(17) . . . . ?
O17 C135 C147 F5 -178(5) . . . . ?
O17 C135 C147 F21 -65(5) . . . . ?
O17 C135 C147 F24 49(6) . . . . ?
O17 C135 C158 C57 6(6) . . . . ?
C6 N2 C24 C22 -130.9(18) . . . . ?
C6 N2 C24 C146 50(2) . . . . ?
C6 N2 C82 C34 33(2) . . . . ?
C6 N2 C82 C142 -146.1(16) . . . . ?
C6 C42 C84 C81 0.0 . . . . ?
C42 C6 C80 C89 0.0 . . . . ?
C42 C84 C81 C89 0.0 . . . . ?
C42 C84 C81 C161 176.5(19) . . . . ?
C84 C81 C89 C80 0.0 . . . . ?
C84 C81 C161 O20 -158(2) . . . . ?
C84 C81 C161 C159 26(3) . . . . ?
C81 C89 C80 C6 0.0 . . . . ?
C89 C81 C161 O20 19(3) . . . . ?
C89 C81 C161 C159 -157.7(19) . . . . ?
C80 C6 C42 C84 0.0 . . . . ?
C7 C22 C24 N2 -179.0(17) . . . . ?
C7 C22 C24 C146 0.0 . . . . ?
C7 C32 C57 O1 26(3) . . . . ?
C7 C32 C57 C158 -156(2) . . . . ?
C22 C7 C32 C145 0.0 . . . . ?
C22 C7 C32 C57 176.4(18) . . . . ?
C22 C24 C146 C145 0.0 . . . . ?
C24 N2 C6 C42 -139.2(17) . . . . ?
C24 N2 C6 C80 35(3) . . . . ?
C24 N2 C82 C34 -142.7(15) . . . . ?
C24 N2 C82 C142 39(2) . . . . ?
C24 C146 C145 C32 0.0 . . . . ?
C146 C145 C32 C7 0.0 . . . . ?
C146 C145 C32 C57 -176.2(19) . . . . ?
C145 C32 C57 O1 -157.5(17) . . . . ?
C145 C32 C57 C158 20(3) . . . . ?
C32 C7 C22 C24 0.0 . . . . ?
C32 C57 C158 C135 -180(3) . . . . ?
O19 C133 C229 F4 158(3) . . . . ?
O19 C133 C229 F13 52(3) . . . . ?
O19 C133 C229 F14 -70(3) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C8 N4 Eu2 174.5(10) . . . . ?
C9 C8 N4 C12 0.0 . . . . ?
C9 C8 C100 N11 173.4(11) . . . . ?
C9 C8 C100 C99 -5.6(19) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 N4 0.0 . . . . ?
C10 C11 C12 C70 175.9(18) . . . . ?
C11 C12 N4 Eu2 -174.5(10) . . . . ?
C11 C12 N4 C8 0.0 . . . . ?
C11 C12 C70 N9 168.1(10) . . . . ?
C11 C12 C70 C71 -10.2(19) . . . . ?
C12 C70 C71 C72 178.3(18) . . . . ?
N4 C8 C9 C10 0.0 . . . . ?
N4 C8 C100 N11 -4.6(19) . . . . ?
N4 C8 C100 C99 176.5(11) . . . . ?
N4 C12 C70 N9 -15.9(18) . . . . ?
N4 C12 C70 C71 165.8(10) . . . . ?
C13 C21 C50 N1 -173(2) . . . . ?
C13 C21 C50 C83 3(3) . . . . ?
C13 C58 C86 C83 -1(3) . . . . ?
C13 C58 C90 O5 3(3) . . . . ?
C13 C58 C90 C93 178(2) . . . . ?
N5 C14 C15 C16 0.0 . . . . ?
N5 C18 C123 N13 -12.4(19) . . . . ?
N5 C18 C123 C124 168.8(11) . . . . ?
C14 N5 C18 C17 0.0 . . . . ?
C14 N5 C18 C123 -176.6(17) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 N5 0.0 . . . . ?
C16 C17 C18 C123 176.6(18) . . . . ?
C17 C18 C123 N13 171.0(10) . . . . ?
C17 C18 C123 C124 -8(2) . . . . ?
C18 N5 C14 C5 174.5(16) . . . . ?
C18 N5 C14 C15 0.0 . . . . ?
C18 C123 C124 C125 179(2) . . . . ?
C20 C69 C148 C150 166(3) . . . . ?
C20 C95 C121 C130 2(5) . . . . ?
C20 C101 C137 C130 3(4) . . . . ?
C21 C13 C58 C86 3(3) . . . . ?
C21 C13 C58 C90 175(2) . . . . ?
C21 C50 C83 C86 -1(4) . . . . ?
N6 C28 C29 C30 -177.7(19) . . . . ?
N6 C107 C108 C103 179.1(19) . . . . ?
N6 C129 C141 C132 -178(3) . . . . ?
F1 C110 C150 O15 -180(3) . . . . ?
F1 C110 C150 C148 11(5) . . . . ?
C236 N1 C35 C64 -143.2(16) . . . . ?
C236 N1 C35 C122 37(2) . . . . ?
C236 N1 C50 C21 26(3) . . . . ?
C236 N1 C50 C83 -150(2) . . . . ?
C236 C38 C68 C41 -1(4) . . . . ?
O21 C156 C157 C138 13(7) . . . . ?
O21 C156 C160 F11 -176(4) . . . . ?
O21 C156 C160 F15 64(4) . . . . ?
O21 C156 C160 F17 -52(4) . . . . ?
C235 C27 C28 N6 177.8(19) . . . . ?
C235 C27 C28 C29 0.0 . . . . ?
C235 C31 C140 O16 -34(3) . . . . ?
C235 C31 C140 C170 147(3) . . . . ?
C27 C235 C31 C30 0.0 . . . . ?
C27 C235 C31 C140 -175(2) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 N6 C107 C106 138.9(18) . . . . ?
C28 N6 C107 C108 -40(3) . . . . ?
C28 N6 C129 C94 140(3) . . . . ?
C28 N6 C129 C141 -37(4) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C235 0.0 . . . . ?
C29 C30 C31 C140 175(2) . . . . ?
C30 C31 C140 O16 150.1(19) . . . . ?
C30 C31 C140 C170 -29(4) . . . . ?
C31 C235 C27 C28 0.0 . . . . ?
C31 C140 C170 C202 173(5) . . . . ?
C33 C43 C139 C122 178.2(17) . . . . ?
C33 C39 C117 O14 -3(6) . . . . ?
C33 C39 C117 C 177(3) . . . . ?
C34 C116 C149 C171 0.0 . . . . ?
C34 C116 C149 C119 -178.3(17) . . . . ?
C116 C34 C82 N2 -178.7(16) . . . . ?
C116 C34 C82 C142 0.0 . . . . ?
C116 C149 C171 C142 0.0 . . . . ?
C116 C149 C119 O10 -25(3) . . . . ?
C116 C149 C119 C118 152(2) . . . . ?
C149 C171 C142 C82 0.0 . . . . ?
C171 C149 C119 O10 156.3(18) . . . . ?
C171 C149 C119 C118 -26(3) . . . . ?
C171 C142 C82 N2 178.8(16) . . . . ?
C171 C142 C82 C34 0.0 . . . . ?
C82 N2 C6 C42 46(2) . . . . ?
C82 N2 C6 C80 -140.3(16) . . . . ?
C82 N2 C24 C22 44(2) . . . . ?
C82 N2 C24 C146 -134.6(17) . . . . ?
C82 C34 C116 C149 0.0 . . . . ?
C35 N1 C236 C38 48(3) . . . . ?
C35 N1 C236 C128 -132(2) . . . . ?
C35 N1 C50 C21 -154(2) . . . . ?
C35 N1 C50 C83 30(3) . . . . ?
C35 C64 C67 C43 0.0 . . . . ?
C64 C35 C122 C139 0.0 . . . . ?
C64 C67 C43 C33 -178.3(16) . . . . ?
C64 C67 C43 C139 0.0 . . . . ?
C67 C43 C139 C122 0.0 . . . . ?
C43 C33 C39 C117 -165(3) . . . . ?
C43 C139 C122 C35 0.0 . . . . ?
C122 C35 C64 C67 0.0 . . . . ?
C36 C87 C131 C172 171(3) . . . . ?
C36 C91 C94 C129 3(5) . . . . ?
C36 C132 C141 C129 -2(4) . . . . ?
C37 C65 C66 C85 0(4) . . . . ?
C37 C65 N14 C46 148(2) . . . . ?
C37 C65 N14 C130 -31(4) . . . . ?
C38 C236 C128 C92 1(4) . . . . ?
C39 C33 C43 C67 148(2) . . . . ?
C39 C33 C43 C139 -30(3) . . . . ?
C39 C117 C F237 -4(5) . . . . ?
C39 C117 C F235 -146(3) . . . . ?
C39 C117 C F238 115(3) . . . . ?
C40 C19 C93 C90 179(2) . . . . ?
C41 C88 C134 C175 -178(3) . . . . ?
C41 C92 C128 C236 -1(4) . . . . ?
O22 C138 C157 C156 -8(5) . . . . ?
C44 C45 C46 C47 0.0 . . . . ?
C44 C45 C46 N14 -179.4(19) . . . . ?
C44 C49 C144 O13 19(4) . . . . ?
C44 C49 C144 C183 -158(2) . . . . ?
C45 C44 C49 C48 0.0 . . . . ?
C45 C44 C49 C144 177(2) . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C45 C46 N14 C65 133(2) . . . . ?
C45 C46 N14 C130 -48(3) . . . . ?
C46 C47 C48 C49 0.0 . . . . ?
C46 N14 C130 C121 -35(4) . . . . ?
C46 N14 C130 C137 145(2) . . . . ?
C47 C46 N14 C65 -46(3) . . . . ?
C47 C46 N14 C130 132.9(19) . . . . ?
C47 C48 C49 C44 0.0 . . . . ?
C47 C48 C49 C144 -177(2) . . . . ?
C48 C49 C144 O13 -164(2) . . . . ?
C48 C49 C144 C183 19(4) . . . . ?
C49 C44 C45 C46 0.0 . . . . ?
C49 C144 C183 C182 -176(3) . . . . ?
C50 N1 C236 C38 -132(2) . . . . ?
C50 N1 C236 C128 48(3) . . . . ?
C50 N1 C35 C64 37(2) . . . . ?
C50 N1 C35 C122 -143.3(17) . . . . ?
C50 C83 C86 C58 0(4) . . . . ?
C51 C26 C85 C66 5(4) . . . . ?
C51 C26 C109 O7 -165(2) . . . . ?
C51 C26 C109 C102 14(4) . . . . ?
C51 C37 C65 C66 3(4) . . . . ?
C51 C37 C65 N14 -176(2) . . . . ?
N7 C52 C53 C54 0.0 . . . . ?
N7 C52 C111 N12 -9.0(18) . . . . ?
N7 C52 C111 C115 176.9(11) . . . . ?
N7 C56 C59 N8 29.2(17) . . . . ?
N7 C56 C59 C60 -151.8(11) . . . . ?
C52 N7 C56 C55 0.0 . . . . ?
C52 N7 C56 C59 170.4(17) . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C52 C111 N12 Eu3 5.5(17) . . . . ?
C52 C111 N12 C112 -174.3(18) . . . . ?
C52 C111 C115 C114 174.0(19) . . . . ?
C53 C52 C111 N12 173.8(10) . . . . ?
C53 C52 C111 C115 0(2) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 N7 0.0 . . . . ?
C54 C55 C56 C59 -170.3(17) . . . . ?
C55 C56 C59 N8 -160.4(9) . . . . ?
C55 C56 C59 C60 18.5(18) . . . . ?
C56 N7 C52 C53 0.0 . . . . ?
C56 N7 C52 C111 -177.3(17) . . . . ?
C56 C59 C60 C61 -178.9(17) . . . . ?
C58 C13 C21 C50 -4(4) . . . . ?
C58 C90 C93 C19 -176(2) . . . . ?
N8 C59 C60 C61 0.0 . . . . ?
C59 N8 C63 C62 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C59 C60 C61 C180 -176(2) . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C60 C61 C62 C174 177(2) . . . . ?
C60 C61 C180 C167 -178.6(17) . . . . ?
C61 C62 C63 N8 0.0 . . . . ?
C61 C62 C174 C163 53(3) . . . . ?
C61 C62 C174 C179 -43(3) . . . . ?
C62 C61 C180 C167 6(3) . . . . ?
C62 C174 C179 C167 80(3) . . . . ?
C62 C174 C179 C209 -45(4) . . . . ?
C62 C174 C179 C210 -167(3) . . . . ?
C63 N8 C59 C56 179.0(16) . . . . ?
C63 N8 C59 C60 0.0 . . . . ?
C63 C62 C174 C163 -130.2(19) . . . . ?
C63 C62 C174 C179 134(2) . . . . ?
O25 C182 C183 C144 4(6) . . . . ?
O25 C182 C203 F30 -175(3) . . . . ?
O25 C182 C203 F31 65(3) . . . . ?
O25 C182 C203 F32 -55(3) . . . . ?
C65 C37 C51 C26 -2(4) . . . . ?
C65 C66 C85 C26 -5(4) . . . . ?
C65 N14 C130 C121 145(3) . . . . ?
C65 N14 C130 C137 -36(4) . . . . ?
C66 C65 N14 C46 -31(4) . . . . ?
C66 C65 N14 C130 150(3) . . . . ?
C68 C41 C88 O26 -4(4) . . . . ?
C68 C41 C88 C134 175(3) . . . . ?
C68 C41 C92 C128 0(4) . . . . ?
C69 C20 C95 C121 -179(3) . . . . ?
C69 C20 C101 C137 177(2) . . . . ?
C69 C148 C150 O15 2(6) . . . . ?
C69 C148 C150 C110 170(3) . . . . ?
N9 C70 C71 C72 0.0 . . . . ?
C70 C12 N4 Eu2 9.3(15) . . . . ?
C70 C12 N4 C8 -176.1(17) . . . . ?
C70 N9 C74 C73 0.0 . . . . ?
C70 C71 C72 C73 0.0 . . . . ?
C70 C71 C72 C168 172(2) . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C71 C72 C73 C195 175(2) . . . . ?
C71 C72 C168 C178 -177(2) . . . . ?
C72 C73 C74 N9 0.0 . . . . ?
C72 C73 C195 C177 49(3) . . . . ?
C72 C73 C195 C225 -47(2) . . . . ?
C72 C168 C178 C177 -43(4) . . . . ?
C72 C168 C178 C225 53(4) . . . . ?
C73 C72 C168 C178 -5(3) . . . . ?
C73 C195 C225 C178 83(3) . . . . ?
C73 C195 C225 C189 -42(4) . . . . ?
C73 C195 C225 C226 -167(3) . . . . ?
C74 N9 C70 C12 -178.4(17) . . . . ?
C74 N9 C70 C71 0.0 . . . . ?
C74 C73 C195 C177 -136.2(19) . . . . ?
C74 C73 C195 C225 128(2) . . . . ?
N10 C75 C76 C77 0.0 . . . . ?
N10 C75 C155 N15 20(2) . . . . ?
N10 C75 C155 C154 -163.9(13) . . . . ?
C75 N10 C79 C78 0.0 . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
C75 C76 C77 C0AA -179(4) . . . . ?
C76 C75 C155 N15 -156.9(13) . . . . ?
C76 C75 C155 C154 19(2) . . . . ?
C76 C77 C78 C79 0.0 . . . . ?
C76 C77 C78 C197 -174(3) . . . . ?
C76 C77 C0AA C220 175(3) . . . . ?
C77 C78 C79 N10 0.0 . . . . ?
C77 C78 C197 C190 44(3) . . . . ?
C77 C78 C197 C219 -51(4) . . . . ?
C78 C77 C0AA C220 -4(5) . . . . ?
C78 C197 C219 C220 80(4) . . . . ?
C78 C197 C219 C221 -38(4) . . . . ?
C78 C197 C219 C222 -163(4) . . . . ?
C79 N10 C75 C76 0.0 . . . . ?
C79 N10 C75 C155 -177(2) . . . . ?
C79 C78 C197 C190 -131(3) . . . . ?
C79 C78 C197 C219 135(3) . . . . ?
C85 C26 C51 C37 -2(4) . . . . ?
C85 C26 C109 O7 18(3) . . . . ?
C85 C26 C109 C102 -163(3) . . . . ?
C86 C58 C90 O5 174(2) . . . . ?
C86 C58 C90 C93 -11(4) . . . . ?
C87 C36 C91 C94 -179(3) . . . . ?
C87 C36 C132 C141 178(3) . . . . ?
C87 C131 C172 O24 3(5) . . . . ?
C87 C131 C172 C199 180(3) . . . . ?
C88 C41 C68 C38 178(2) . . . . ?
C88 C41 C92 C128 -177(3) . . . . ?
C88 C134 C175 O18 -5(6) . . . . ?
C88 C134 C175 C169 172(3) . . . . ?
C90 C58 C86 C83 -172(2) . . . . ?
C91 C36 C87 O9 -160(3) . . . . ?
C91 C36 C87 C131 12(5) . . . . ?
C91 C36 C132 C141 -2(4) . . . . ?
C91 C94 C129 N6 177(2) . . . . ?
C91 C94 C129 C141 -6(4) . . . . ?
C92 C41 C68 C38 1(4) . . . . ?
C92 C41 C88 O26 172(3) . . . . ?
C92 C41 C88 C134 -8(4) . . . . ?
C93 C19 C40 F2 -125(3) . . . . ?
C93 C19 C40 F6 -12(3) . . . . ?
C93 C19 C40 F9 119(3) . . . . ?
F7 C110 C150 O15 55(4) . . . . ?
F7 C110 C150 C148 -115(3) . . . . ?
C94 C129 C141 C132 6(4) . . . . ?
C95 C20 C69 O4 -161(3) . . . . ?
C95 C20 C69 C148 26(4) . . . . ?
C95 C20 C101 C137 -2(4) . . . . ?
C95 C121 C130 N14 178(3) . . . . ?
C95 C121 C130 C137 -1(5) . . . . ?
N11 C96 C97 C98 0.0 . . . . ?
N11 C96 C97 C181 -178(2) . . . . ?
C96 N11 C100 C8 -179.0(18) . . . . ?
C96 N11 C100 C99 0.0 . . . . ?
C96 C97 C98 C99 0.0 . . . . ?
C96 C97 C98 C232 -173(3) . . . . ?
C96 C97 C181 C192 -133(2) . . . . ?
C96 C97 C181 C233 132(3) . . . . ?
C97 C98 C99 C100 0.0 . . . . ?
C97 C98 C232 C231 -8(4) . . . . ?
C97 C181 C192 C231 -83(3) . . . . ?
C97 C181 C233 C230 176(3) . . . . ?
C97 C181 C233 C231 76(3) . . . . ?
C97 C181 C233 C234 -42(5) . . . . ?
C98 C97 C181 C192 49(3) . . . . ?
C98 C97 C181 C233 -46(4) . . . . ?
C98 C99 C100 C8 178.9(19) . . . . ?
C98 C99 C100 N11 0.0 . . . . ?
C99 C98 C232 C231 179(2) . . . . ?
C100 C8 C9 C10 -177.9(17) . . . . ?
C100 C8 N4 Eu2 -7.5(16) . . . . ?
C100 C8 N4 C12 177.9(16) . . . . ?
C100 N11 C96 C97 0.0 . . . . ?
C101 C20 C69 O4 21(4) . . . . ?
C101 C20 C69 C148 -152(3) . . . . ?
C101 C20 C95 C121 -1(4) . . . . ?
C102 C136 C165 F8 3(5) . . . . ?
C102 C136 C165 F10 -123(3) . . . . ?
C102 C136 C165 F26 121(3) . . . . ?
C103 C104 C105 C106 0.0 . . . . ?
C103 C104 C138 O22 162(2) . . . . ?
C103 C104 C138 C157 -25(4) . . . . ?
C104 C103 C108 C107 0.0 . . . . ?
C104 C105 C106 C107 0.0 . . . . ?
C104 C138 C157 C156 179(3) . . . . ?
C105 C104 C138 O22 -16(3) . . . . ?
C105 C104 C138 C157 157(2) . . . . ?
C105 C106 C107 N6 -179.1(19) . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C106 C107 C108 C103 0.0 . . . . ?
C107 N6 C28 C27 -57(3) . . . . ?
C107 N6 C28 C29 120(2) . . . . ?
C107 N6 C129 C94 -29(4) . . . . ?
C107 N6 C129 C141 155(2) . . . . ?
C108 C103 C104 C105 0.0 . . . . ?
C108 C103 C104 C138 -179(2) . . . . ?
C109 C26 C51 C37 -180(2) . . . . ?
C109 C26 C85 C66 -177(2) . . . . ?
C109 C102 C136 O6 -5(5) . . . . ?
C109 C102 C136 C165 178(3) . . . . ?
C111 C52 C53 C54 177.2(18) . . . . ?
C111 N12 C112 C113 0.0 . . . . ?
N12 C111 C115 C114 0.0 . . . . ?
N12 C112 C113 C114 0.0 . . . . ?
N12 C112 C113 C198 -175(2) . . . . ?
C112 C113 C114 C115 0.0 . . . . ?
C112 C113 C114 C188 -167(3) . . . . ?
C112 C113 C198 C176 -136(2) . . . . ?
C112 C113 C198 C193 127(2) . . . . ?
C113 C114 C115 C111 0.0 . . . . ?
C113 C114 C188 C200 -13(4) . . . . ?
C114 C113 C198 C176 49(3) . . . . ?
C114 C113 C198 C193 -48(3) . . . . ?
C114 C188 C200 C176 -38(4) . . . . ?
C114 C188 C200 C193 61(4) . . . . ?
C115 C111 N12 Eu3 179.8(12) . . . . ?
C115 C111 N12 C112 0.0 . . . . ?
C115 C114 C188 C200 180(2) . . . . ?
C118 C133 C229 F4 -16(4) . . . . ?
C118 C133 C229 F13 -122(3) . . . . ?
C118 C133 C229 F14 116(3) . . . . ?
C119 C149 C171 C142 178.2(18) . . . . ?
C119 C118 C133 O19 12(5) . . . . ?
C119 C118 C133 C229 -174(3) . . . . ?
C120 C159 C161 C81 169(3) . . . . ?
C120 C159 C161 O20 -8(5) . . . . ?
C121 C130 C137 C101 -1(4) . . . . ?
N13 C123 C124 C125 0.0 . . . . ?
C123 N13 C127 C126 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C123 C124 C125 C186 180(3) . . . . ?
C124 C125 C126 C127 0.0 . . . . ?
C124 C125 C126 C173 -176(3) . . . . ?
C124 C125 C186 C191 177(3) . . . . ?
C125 C126 C127 N13 0.0 . . . . ?
C125 C126 C173 C194 -47(3) . . . . ?
C125 C126 C173 C211 41(4) . . . . ?
C125 C186 C191 C194 46(5) . . . . ?
C125 C186 C191 C211 -43(5) . . . . ?
C126 C125 C186 C191 -3(5) . . . . ?
C126 C173 C194 C191 77(3) . . . . ?
C126 C173 C194 C227 -170(3) . . . . ?
C126 C173 C194 C228 -41(5) . . . . ?
C126 C173 C211 C191 -74(4) . . . . ?
C127 N13 C123 C18 -178.9(18) . . . . ?
C127 N13 C123 C124 0.0 . . . . ?
C127 C126 C173 C194 137(2) . . . . ?
C127 C126 C173 C211 -135(3) . . . . ?
N14 C46 C47 C48 179.4(19) . . . . ?
N14 C65 C66 C85 179(2) . . . . ?
N14 C130 C137 C101 179(2) . . . . ?
C128 C236 C38 C68 0(4) . . . . ?
C129 N6 C28 C27 135(2) . . . . ?
C129 N6 C28 C29 -48(3) . . . . ?
C129 N6 C107 C106 -53(3) . . . . ?
C129 N6 C107 C108 128(2) . . . . ?
C131 C172 C199 F18 14(4) . . . . ?
C131 C172 C199 F22 -107(4) . . . . ?
C131 C172 C199 F25 134(4) . . . . ?
C132 C36 C87 O9 19(4) . . . . ?
C132 C36 C87 C131 -169(3) . . . . ?
C132 C36 C91 C94 2(4) . . . . ?
F16 C110 C150 O15 -64(3) . . . . ?
F16 C110 C150 C148 127(3) . . . . ?
C133 C118 C119 O10 -1(5) . . . . ?
C133 C118 C119 C149 -178(3) . . . . ?
C136 C102 C109 O7 2(5) . . . . ?
C136 C102 C109 C26 -177(3) . . . . ?
C138 C104 C105 C106 179(2) . . . . ?
C140 C170 C202 O11 5(8) . . . . ?
C140 C170 C202 C201 173(5) . . . . ?
C143 C238 C3 C4 -174(2) . . . . ?
C143 C238 C3 C184 8(3) . . . . ?
C143 C185 C187 C184 89(3) . . . . ?
C143 C185 C187 C212 -26(3) . . . . ?
C147 C135 C158 C57 178(4) . . . . ?
N15 C151 C152 C153 0.0 . . . . ?
N15 C151 C208 N16 -4(2) . . . . ?
N15 C151 C208 C207 179.0(14) . . . . ?
C151 N15 C155 C75 176(2) . . . . ?
C151 N15 C155 C154 0.0 . . . . ?
C151 C152 C153 C154 0.0 . . . . ?
C152 C151 C208 N16 179.4(14) . . . . ?
C152 C151 C208 C207 2(2) . . . . ?
C152 C153 C154 C155 0.0 . . . . ?
C153 C154 C155 C75 -176(2) . . . . ?
C153 C154 C155 N15 0.0 . . . . ?
C155 C75 C76 C77 177(2) . . . . ?
C155 N15 C151 C152 0.0 . . . . ?
C155 N15 C151 C208 -177.1(19) . . . . ?
F23 C201 C202 O11 -71(3) . . . . ?
F23 C201 C202 C170 120(4) . . . . ?
C157 C156 C160 F11 16(5) . . . . ?
C157 C156 C160 F15 -103(4) . . . . ?
C157 C156 C160 F17 140(4) . . . . ?
C158 C135 C147 F5 9(8) . . . . ?
C158 C135 C147 F21 122(4) . . . . ?
C158 C135 C147 F24 -124(4) . . . . ?
C159 C120 C162 F3 -9(6) . . . . ?
C159 C120 C162 F12 106(4) . . . . ?
C159 C120 C162 F20 -131(3) . . . . ?
C160 C156 C157 C138 179(3) . . . . ?
C161 C81 C89 C80 -176.6(18) . . . . ?
C162 C120 C159 C161 -172(3) . . . . ?
C163 C167 C179 C174 26(3) . . . . ?
C163 C167 C179 C209 148(3) . . . . ?
C163 C167 C179 C210 -92(3) . . . . ?
C163 C167 C180 C61 -50(3) . . . . ?
C163 C174 C179 C167 -26(3) . . . . ?
C163 C174 C179 C209 -151(4) . . . . ?
C163 C174 C179 C210 87(4) . . . . ?
C164 C193 C198 C113 -179(2) . . . . ?
C164 C193 C198 C176 77(3) . . . . ?
C164 C193 C200 C176 -85(3) . . . . ?
C164 C193 C200 C188 161(3) . . . . ?
C166 C193 C198 C113 -47(4) . . . . ?
C166 C193 C198 C176 -151(3) . . . . ?
C166 C193 C200 C176 143(4) . . . . ?
C166 C193 C200 C188 28(5) . . . . ?
C167 C163 C174 C62 -89(3) . . . . ?
C167 C163 C174 C179 26(3) . . . . ?
O24 C172 C199 F18 -170(3) . . . . ?
O24 C172 C199 F22 69(3) . . . . ?
O24 C172 C199 F25 -49(3) . . . . ?
C168 C72 C73 C74 -173(2) . . . . ?
C168 C72 C73 C195 2(2) . . . . ?
C168 C178 C225 C189 37(4) . . . . ?
C168 C178 C225 C195 -85(3) . . . . ?
C168 C178 C225 C226 166(3) . . . . ?
F27 C169 C175 O18 -52(4) . . . . ?
F27 C169 C175 C134 131(4) . . . . ?
C173 C126 C127 N13 176(3) . . . . ?
C174 C62 C63 N8 -177(2) . . . . ?
C174 C163 C167 C179 -26(3) . . . . ?
C174 C163 C167 C180 86(3) . . . . ?
F28 C201 C202 O11 171(2) . . . . ?
F28 C201 C202 C170 2(5) . . . . ?
C177 C178 C225 C189 147(3) . . . . ?
C177 C178 C225 C195 24(3) . . . . ?
C177 C178 C225 C226 -84(3) . . . . ?
C177 C195 C225 C178 -24(3) . . . . ?
C177 C195 C225 C189 -149(4) . . . . ?
C177 C195 C225 C226 85(3) . . . . ?
C178 C177 C195 C73 -86(3) . . . . ?
C178 C177 C195 C225 24(3) . . . . ?
C179 C167 C180 C61 44(3) . . . . ?
C180 C61 C62 C63 175(2) . . . . ?
C180 C61 C62 C174 -8(3) . . . . ?
C180 C167 C179 C174 -79(3) . . . . ?
C180 C167 C179 C209 43(4) . . . . ?
C180 C167 C179 C210 164(3) . . . . ?
C181 C97 C98 C99 178(3) . . . . ?
C181 C97 C98 C232 5(3) . . . . ?
C181 C192 C231 C232 88(4) . . . . ?
C181 C192 C231 C233 -27(3) . . . . ?
C183 C182 C203 F30 15(3) . . . . ?
C183 C182 C203 F31 -105(3) . . . . ?
C183 C182 C203 F32 135(3) . . . . ?
C184 C3 C4 C5 177(3) . . . . ?
C184 C187 C212 C143 -77(4) . . . . ?
C184 C187 C212 C196 168(3) . . . . ?
C184 C187 C212 C213 44(5) . . . . ?
C185 C143 C212 C187 -25(3) . . . . ?
C185 C143 C212 C196 95(3) . . . . ?
C185 C143 C212 C213 -148(3) . . . . ?
C185 C187 C212 C143 26(3) . . . . ?
C185 C187 C212 C196 -89(4) . . . . ?
C185 C187 C212 C213 147(3) . . . . ?
C186 C125 C126 C127 -180(3) . . . . ?
C186 C125 C126 C173 4(3) . . . . ?
C186 C191 C194 C173 -78(4) . . . . ?
C186 C191 C194 C227 168(4) . . . . ?
C186 C191 C194 C228 41(5) . . . . ?
C186 C191 C211 C173 77(4) . . . . ?
C188 C114 C115 C111 166(3) . . . . ?
F29 C201 C202 O11 49(3) . . . . ?
F29 C201 C202 C170 -119(5) . . . . ?
C190 C197 C219 C220 -31(2) . . . . ?
C190 C197 C219 C221 -149(4) . . . . ?
C190 C197 C219 C222 85(4) . . . . ?
C190 C220 C0AA C77 -44(5) . . . . ?
C192 C181 C233 C230 74(4) . . . . ?
C192 C181 C233 C231 -27(3) . . . . ?
C192 C181 C233 C234 -145(4) . . . . ?
C192 C231 C232 C98 -42(5) . . . . ?
C192 C231 C233 C181 27(3) . . . . ?
C192 C231 C233 C230 -83(3) . . . . ?
C192 C231 C233 C234 142(3) . . . . ?
C194 C173 C211 C191 33(3) . . . . ?
C194 C191 C211 C173 -33(3) . . . . ?
C195 C73 C74 N9 -175(2) . . . . ?
C195 C177 C178 C168 84(3) . . . . ?
C195 C177 C178 C225 -24(3) . . . . ?
C197 C78 C79 N10 174(3) . . . . ?
C197 C190 C220 C219 -31(2) . . . . ?
C197 C190 C220 C0AA 79(4) . . . . ?
C197 C219 C220 C190 31(2) . . . . ?
C197 C219 C220 C0AA -74(3) . . . . ?
C198 C113 C114 C115 175(2) . . . . ?
C198 C113 C114 C188 8(3) . . . . ?
C198 C176 C200 C188 88(3) . . . . ?
C198 C176 C200 C193 -20(3) . . . . ?
C198 C193 C200 C176 20(3) . . . . ?
C198 C193 C200 C188 -95(3) . . . . ?
C200 C176 C198 C113 -87(3) . . . . ?
C200 C176 C198 C193 20(3) . . . . ?
C200 C193 C198 C113 84(3) . . . . ?
C200 C193 C198 C176 -20(3) . . . . ?
C203 C182 C183 C144 174(3) . . . . ?
N16 C204 C205 C206 0.0 . . . . ?
N16 C204 C205 C217 168(3) . . . . ?
C204 N16 C208 C151 -177(2) . . . . ?
C204 N16 C208 C207 0.0 . . . . ?
C204 C205 C206 C207 0.0 . . . . ?
C204 C205 C206 C218 -177(4) . . . . ?
C204 C205 C217 C215 -128(3) . . . . ?
C204 C205 C217 C216 148(2) . . . . ?
C205 C206 C207 C208 0.0 . . . . ?
C205 C206 C218 C214 -21(6) . . . . ?
C206 C205 C217 C215 40(3) . . . . ?
C206 C205 C217 C216 -44(3) . . . . ?
C206 C207 C208 C151 177(2) . . . . ?
C206 C207 C208 N16 0.0 . . . . ?
C207 C206 C218 C214 162(3) . . . . ?
C208 C151 C152 C153 177(2) . . . . ?
C208 N16 C204 C205 0.0 . . . . ?
C211 C173 C194 C191 -33(3) . . . . ?
C211 C173 C194 C227 80(4) . . . . ?
C211 C173 C194 C228 -151(4) . . . . ?
C211 C191 C194 C173 33(3) . . . . ?
C211 C191 C194 C227 -81(4) . . . . ?
C211 C191 C194 C228 152(4) . . . . ?
C212 C143 C185 C187 26(3) . . . . ?
C214 C215 C217 C205 -85(3) . . . . ?
C214 C215 C217 C216 19(3) . . . . ?
C214 C216 C217 C205 76(3) . . . . ?
C214 C216 C217 C215 -19(3) . . . . ?
C215 C214 C216 C217 19(3) . . . . ?
C215 C214 C216 C223 135(3) . . . . ?
C215 C214 C216 C224 -95(3) . . . . ?
C215 C214 C218 C206 -29(5) . . . . ?
C216 C214 C215 C217 -19(3) . . . . ?
C216 C214 C218 C206 58(5) . . . . ?
C217 C205 C206 C207 -169(3) . . . . ?
C217 C205 C206 C218 14(4) . . . . ?
C218 C206 C207 C208 177(4) . . . . ?
C218 C214 C215 C217 83(4) . . . . ?
C218 C214 C216 C217 -87(4) . . . . ?
C218 C214 C216 C223 29(4) . . . . ?
C218 C214 C216 C224 158(4) . . . . ?
C219 C220 C0AA C77 46(6) . . . . ?
C220 C190 C197 C78 -83(3) . . . . ?
C220 C190 C197 C219 31(2) . . . . ?
C221 C219 C220 C190 144(3) . . . . ?
C221 C219 C220 C0AA 39(4) . . . . ?
C222 C219 C220 C190 -81(3) . . . . ?
C222 C219 C220 C0AA 174(3) . . . . ?
C223 C216 C217 C205 -38(3) . . . . ?
C223 C216 C217 C215 -134(3) . . . . ?
C224 C216 C217 C205 -169(3) . . . . ?
C224 C216 C217 C215 96(3) . . . . ?
F33 C169 C175 O18 174(4) . . . . ?
F33 C169 C175 C134 -3(5) . . . . ?
C232 C98 C99 C100 172(3) . . . . ?
C232 C231 C233 C181 -88(3) . . . . ?
C232 C231 C233 C230 162(3) . . . . ?
C232 C231 C233 C234 27(5) . . . . ?
C233 C181 C192 C231 27(3) . . . . ?
C233 C231 C232 C98 58(4) . . . . ?
C0AA C77 C78 C79 179(3) . . . . ?
C0AA C77 C78 C197 5(3) . . . . ?
C25 C23 O23 C23 -20(3) . . . 2_757 ?
O23 C23 C25 C25 36(4) . . . 2_757 ?
F19 C169 C175 O18 57(4) . . . . ?
F19 C169 C175 C134 -120(5) . . . . ?
F19A C169 C175 O18 120(4) . . . . ?
F19A C169 C175 C134 -57(5) . . . . ?
F27A C169 C175 O18 26(5) . . . . ?
F27A C169 C175 C134 -151(5) . . . . ?
F33A C169 C175 O18 -128(4) . . . . ?
F33A C169 C175 C134 55(5) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.99(2)
2 0.01(2)
