#------------------------------------------------------------------------------
#$Date: 2021-10-07 02:08:40 +0300 (Thu, 07 Oct 2021) $
#$Revision: 269802 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708512.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_7708512
loop_
_publ_author_name
'Wang, Shu-ju'
'Li, Qian'
'Xiu, Guan-Lin'
'You, Li-Xin'
'Ding, Fu'
'Van Deun, Rik'
'Dragutan, Ileana'
'Dragutan, Valerian'
'Sun, Yaguang'
_publ_section_title
;
 New Ln-MOFs based on mixed organic ligands: synthesis, structure and
 efficient luminescence sensing of the Hg2+ ion in aqueous solutions
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02687A
_journal_year                    2021
_chemical_formula_moiety         'C144 H106 Eu4 N8 O25 S6, 3(H2 O), C12 H8 N2'
_chemical_formula_sum            'C156 H120 Eu4 N10 O28 S6'
_chemical_formula_weight         3382.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2021-08-09
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-08-11 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                108.9420(10)
_cell_angle_beta                 90.1040(10)
_cell_angle_gamma                98.5400(10)
_cell_formula_units_Z            2
_cell_length_a                   11.49550(10)
_cell_length_b                   22.0977(3)
_cell_length_c                   29.0980(3)
_cell_measurement_reflns_used    42210
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.0510
_cell_measurement_theta_min      3.9250
_cell_volume                     6903.91(14)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     56.00  89.00   0.50    0.80    --    0.00  57.00  30.00   66
  2  ω     20.00  78.00   0.50    0.80    --    0.00  57.00 120.00  116
  3  ω    -88.00 -17.00   0.50    0.80    --    0.00 -38.00 150.00  142
  4  ω    -52.00  18.00   0.50    0.80    --    0.00 -38.00-120.00  140
  5  ω      8.00  33.00   0.50    0.80    --    0.00 -82.00 120.00   50
  6  ω    -89.00 -35.00   0.50    0.80    --    0.00 -82.00 120.00  108
  7  ω    -21.00  22.00   0.50    0.80    --    0.00  57.00  30.00   86
  8  ω    137.00 163.00   0.50    4.50    --   95.80  82.00 -90.00   52
  9  ω     78.00 104.00   0.50    4.50    --   95.80  82.00 -90.00   52
 10  ω     83.00 131.00   0.50    4.50    --   95.80 -82.00-150.00   96
 11  ω     92.00 125.00   0.50    4.50    --   95.80 -30.00-150.00   66
 12  ω     65.00 105.00   0.50    4.50    --   95.80  61.00-180.00   80
 13  ω    116.00 142.00   0.50    4.50    --   95.80  61.00-180.00   52
 14  ω     58.00 104.00   0.50    4.50    --   95.80 -82.00 -90.00   92
 15  ω      6.00  84.00   0.50    4.50    --   95.80 -30.00-150.00  156
 16  ω      7.00 133.00   0.50    4.50    --   95.80 -82.00   0.00  252
 17  ω     88.00 126.00   0.50    4.50    --   95.80 -45.00 150.00   76
 18  ω     21.00  65.00   0.50    4.50    --   95.80 -45.00 150.00   88
 19  ω     63.00 179.00   0.50    4.50    --   95.80  30.00  90.00  232
 20  ω     51.00 119.00   0.50    4.50    --   95.80 -82.00-180.00  136
 21  ω     56.00 105.00   0.50    4.50    --   95.80 -82.00  90.00   98
 22  ω      6.00  45.00   0.50    4.50    --   95.80 -82.00-180.00   78
 23  ω     43.00  77.00   0.50    4.50    --   95.80 -82.00 120.00   68
 24  ω     94.00 132.00   0.50    4.50    --   95.80 -82.00 120.00   76
 25  ω     16.00  41.00   0.50    4.50    --   95.80 -82.00 -30.00   50
 26  ω     79.00 105.00   0.50    4.50    --   95.80 -82.00 -30.00   52
 27  ω      9.00 108.00   0.50    4.50    --   95.80 -61.00   0.00  198
 28  ω      6.00  73.00   0.50    4.50    --   95.80 -82.00-150.00  134
 29  ω    111.00 149.00   0.50    4.50    --   95.80  61.00  30.00   76
 30  ω     81.00 180.00   0.50    4.50    --   95.80  30.00 120.00  198
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0053483000
_diffrn_orient_matrix_UB_12      0.0325700000
_diffrn_orient_matrix_UB_13      0.0556343000
_diffrn_orient_matrix_UB_21      0.0454666000
_diffrn_orient_matrix_UB_22      0.0660014000
_diffrn_orient_matrix_UB_23      -0.0060834000
_diffrn_orient_matrix_UB_31      -0.1277555000
_diffrn_orient_matrix_UB_32      0.0123634000
_diffrn_orient_matrix_UB_33      -0.0030004000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            82789
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.415
_diffrn_reflns_theta_min         3.071
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_exptl_absorpt_coefficient_mu    14.316
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       block
_exptl_crystal_F_000             3396
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.592
_refine_diff_density_min         -1.332
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1892
_refine_ls_number_reflns         27158
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0620P)²+5.7694P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1078
_reflns_Friedel_coverage         0.000
_reflns_number_gt                24023
_reflns_number_total             27158
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02687a2.cif
_cod_data_source_block           exp_311
_cod_database_code               7708512
_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.
;
_reflns_odcompleteness_completeness 99.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O25) \\sim Ueq, Uanis(O26) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.01
3. Others
 Sof(H76C)=Sof(H76D)=Sof(H77C)=Sof(H77D)=Sof(S2A)=1-FVAR(1)
 Sof(S2)=Sof(H76A)=Sof(H76B)=Sof(H77A)=Sof(H77B)=FVAR(1)
 Sof(O25)=Sof(H25A)=Sof(H25B)=1-FVAR(2)
 Sof(O25A)=Sof(H25C)=Sof(H25D)=FVAR(2)
 Sof(O26A)=Sof(H26C)=Sof(H26D)=1-FVAR(3)
 Sof(O26)=Sof(H26A)=Sof(H26B)=FVAR(3)
 Fixed Sof: S6A(0.5) S6(0.5) H13C(0.5) H13D(0.5) H13A(0.5) H13B(0.5) H13G(0.5)
 H13H(0.5) H13E(0.5) H13F(0.5)
4.a Free rotating group:
 O27(H27A,H27B), O25(H25A,H25B), O26(H26A,H26B), O25A(H25C,H25D), O26A(H26C,
 H26D)
4.b Rotating group:
 O28(H28A,H28B)
4.c Secondary CH2 refined with riding coordinates:
 C149(H14A,H14B), C148(H14C,H14D), C61(H61A,H61B), C20(H20A,H20B), C60(H60A,
 H60B), C21(H21A,H21B), C76(H76A,H76B), C76(H76C,H76D), C77(H77A,H77B),
 C77(H77C,H77D), C133(H13C,H13D), C133(H13A,H13B), C117(H11A,H11B), C132(H13G,
 H13H), C132(H13E,H13F), C116(H11C,H11D)
4.d Aromatic/amide H refined with riding coordinates:
 C55(H55), C147(H147), C154(H154), C143(H143), C40(H40), C146(H146), C39(H39),
 C64(H64), C66(H66), C56(H56), C31(H31), C152(H152), C29(H29), C80(H80),
 C98(H98), C97(H97), C75(H75), C27(H27), C15(H15), C138(H138), C38(H38),
 C99(H99), C71(H71), C111(H111), C63(H63), C127(H127), C151(H151), C26(H26),
 C91(H91), C131(H131), C155(H155), C82(H82), C106(H106), C108(H108), C144(H144),
  C47(H47), C16(H16), C136(H136), C19(H19), C30(H30), C59(H59), C87(H87),
 C58(H58), C96(H96), C50(H50), C18(H18), C128(H128), C34(H34), C67(H67),
 C107(H107), C85(H85), C114(H114), C74(H74), C43(H43), C42(H42), C115(H115),
 C94(H94), C135(H135), C86(H86), C95(H95), C52(H52), C24(H24), C103(H103),
 C72(H72), C139(H139), C122(H122), C79(H79), C102(H102), C23(H23), C83(H83),
 C41(H41), C112(H112), C3(H3), C35(H35), C120(H120), C1(H1), C123(H123),
 C46(H46), C6(H6), C51(H51), C12(H12), C7(H7), C119(H119), C90(H90), C130(H130),
  C10(H10), C2(H2), C11(H11)
;
_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 3.357
_oxdiff_exptl_absorpt_empirical_full_min 0.456
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Eu3 Eu 0.83691(2) 0.41267(2) 0.80026(2) 0.01410(5) Uani 1 1 d . . . . .
Eu1 Eu 0.33706(2) -0.06582(2) 0.29219(2) 0.01394(5) Uani 1 1 d . . . . .
Eu2 Eu 0.15789(2) 0.06271(2) 0.23890(2) 0.01701(5) Uani 1 1 d . . . . .
Eu4 Eu 0.65598(2) 0.52840(2) 0.74012(2) 0.01728(5) Uani 1 1 d . . . . .
S5 S 1.27412(8) 0.81014(4) 0.96583(3) 0.02714(19) Uani 1 1 d . . . . .
S1 S 0.59930(9) -0.10019(5) -0.03780(3) 0.0323(2) Uani 1 1 d . . . . .
S3 S 0.76264(10) 0.31746(5) 0.49020(4) 0.0375(2) Uani 1 1 d . . . . .
S2 S 0.17402(11) 0.18651(6) 0.57857(4) 0.0343(4) Uani 0.813(4) 1 d . . P A 1
S4 S 1.30181(14) 0.36128(8) 0.55200(5) 0.0609(4) Uani 1 1 d . . . . .
S6A S 0.66262(18) 0.71383(10) 1.06816(7) 0.0330(4) Uani 0.5 1 d . . P B 2
S6 S 0.72164(19) 0.63980(10) 1.08835(7) 0.0325(4) Uani 0.5 1 d . . P B 1
O19 O 1.1243(2) 0.58496(12) 1.11583(9) 0.0221(5) Uani 1 1 d . . . . .
O20 O 1.2209(2) 0.67558(11) 1.16666(9) 0.0204(5) Uani 1 1 d . . . . .
O11 O 0.7009(2) 0.34077(12) 0.73832(9) 0.0212(5) Uani 1 1 d . . . . .
O17 O 0.8634(2) 0.52600(11) 0.83523(9) 0.0211(5) Uani 1 1 d . . . . .
O9 O 0.1547(2) -0.04569(11) 0.32407(9) 0.0199(5) Uani 1 1 d . . . . .
O10 O 0.0988(2) 0.04138(12) 0.31266(9) 0.0222(5) Uani 1 1 d . . . . .
O5 O 0.3168(2) 0.11652(12) 0.29628(9) 0.0216(5) Uani 1 1 d . . . . .
O7 O 0.6292(2) 0.06638(12) 0.62253(9) 0.0216(5) Uani 1 1 d . . . . .
O12 O 0.6223(2) 0.41676(12) 0.71967(10) 0.0250(5) Uani 1 1 d . . . . .
O21 O 0.6574(2) 0.43683(11) 0.83427(9) 0.0208(5) Uani 1 1 d . . . . .
O24 O 1.1235(2) 0.94828(12) 1.21354(9) 0.0238(5) Uani 1 1 d . . . . .
O23 O 1.2035(2) 0.86901(12) 1.22723(9) 0.0208(5) Uani 1 1 d . . . . .
O8 O 0.7161(2) 0.15617(11) 0.67736(9) 0.0201(5) Uani 1 1 d . . . . .
O27 O 0.3542(3) 0.27049(13) 0.27770(11) 0.0329(6) Uani 1 1 d G . . . .
H27A H 0.426913 0.268380 0.273641 0.049 Uiso 1 1 d G U . . .
H27B H 0.343972 0.309859 0.286366 0.049 Uiso 1 1 d G U . . .
O18 O 0.8167(2) 0.58893(12) 0.79354(9) 0.0237(5) Uani 1 1 d . . . . .
O22 O 0.5957(2) 0.51738(12) 0.81526(9) 0.0225(5) Uani 1 1 d . . . . .
O1 O 0.3200(2) 0.03002(12) 0.19217(9) 0.0244(5) Uani 1 1 d . . . . .
O15 O 0.8216(2) 0.50191(13) 0.69265(10) 0.0276(6) Uani 1 1 d . . . . .
O3 O 1.0833(2) 0.04171(13) 0.15782(9) 0.0265(6) Uani 1 1 d . . . . .
O2 O 0.4012(2) -0.03168(13) 0.22712(9) 0.0246(5) Uani 1 1 d . . . . .
O14 O 1.4070(2) 0.51038(12) 0.34757(10) 0.0278(6) Uani 1 1 d . . . . .
O6 O 0.3631(2) 0.04531(11) 0.33063(9) 0.0220(5) Uani 1 1 d . . . . .
N3 N 0.4649(3) -0.15071(14) 0.24599(10) 0.0194(6) Uani 1 1 d . . . . .
O28 O 0.2214(2) 0.15978(12) 0.21764(10) 0.0271(6) Uani 1 1 d . . . . .
H28A H 0.172192 0.162214 0.196477 0.041 Uiso 1 1 d R U . . .
H28B H 0.220710 0.182627 0.252293 0.041 Uiso 1 1 d R U . . .
O4 O 1.0393(3) 0.13304(13) 0.14978(10) 0.0356(7) Uani 1 1 d . . . . .
O13 O 1.3420(2) 0.40575(12) 0.31248(9) 0.0260(6) Uani 1 1 d . . . . .
O16 O 0.8893(2) 0.44212(13) 0.73239(9) 0.0262(6) Uani 1 1 d . . . . .
N9 N 0.9630(3) 0.32558(14) 0.75843(10) 0.0194(6) Uani 1 1 d . . . . .
N8 N 0.5769(3) 0.63410(15) 0.79300(11) 0.0229(6) Uani 1 1 d . . . . .
N4 N 0.5622(3) -0.03872(14) 0.31525(10) 0.0197(6) Uani 1 1 d . . . . .
C156 C 1.1863(3) 0.64086(16) 1.12380(13) 0.0186(7) Uani 1 1 d . . . . .
N10 N 1.0636(3) 0.44379(14) 0.81954(10) 0.0197(6) Uani 1 1 d . . . . .
N6 N 0.0702(3) 0.16051(15) 0.30177(12) 0.0254(7) Uani 1 1 d . . . . .
C68 C 0.6843(3) 0.12379(17) 0.63348(13) 0.0192(7) Uani 1 1 d . . . . .
C153 C 1.2202(3) 0.66374(17) 1.08239(13) 0.0195(7) Uani 1 1 d . . . . .
C55 C 0.4653(3) 0.21639(17) 0.37010(14) 0.0225(7) Uani 1 1 d . . . . .
H55 H 0.455527 0.224468 0.341006 0.027 Uiso 1 1 calc R U . . .
N7 N 0.4354(3) 0.52688(15) 0.73450(11) 0.0236(6) Uani 1 1 d . . . . .
C147 C 0.9586(3) 0.69714(18) 0.86046(14) 0.0239(8) Uani 1 1 d . . . . .
H147 H 0.941593 0.700051 0.830056 0.029 Uiso 1 1 calc R U . . .
C65 C 0.7153(3) 0.15318(17) 0.59464(13) 0.0218(7) Uani 1 1 d . . . . .
N5 N -0.0682(3) 0.05596(16) 0.23932(12) 0.0254(7) Uani 1 1 d . . . . .
C37 C 0.5841(3) -0.13666(17) 0.25142(13) 0.0195(7) Uani 1 1 d . . . . .
N1 N 0.5681(3) 0.22218(17) 0.24456(13) 0.0340(8) Uani 1 1 d . . . . .
C137 C 1.0498(3) 0.83914(17) 1.16634(12) 0.0198(7) Uani 1 1 d . . . . .
C101 C 1.0823(3) 0.34031(17) 0.76140(13) 0.0204(7) Uani 1 1 d . . . . .
C154 C 1.2662(3) 0.72906(17) 1.09044(14) 0.0240(7) Uani 1 1 d . . . . .
H154 H 1.277713 0.757959 1.122066 0.029 Uiso 1 1 calc R U . . .
C36 C 0.6575(3) -0.17813(18) 0.22341(14) 0.0245(8) Uani 1 1 d . . . . .
C126 C 0.6095(3) 0.52618(17) 0.89822(13) 0.0211(7) Uani 1 1 d . . . . .
N2 N 0.6424(3) 0.33680(17) 0.31735(14) 0.0377(8) Uani 1 1 d . . . . .
C140 C 1.1319(3) 0.88943(17) 1.20534(12) 0.0202(7) Uani 1 1 d . . . . .
C54 C 0.4195(3) 0.15599(16) 0.37406(13) 0.0193(7) Uani 1 1 d . . . . .
C143 C 0.9439(3) 0.63606(17) 0.91580(13) 0.0229(7) Uani 1 1 d . . . . .
H143 H 0.918171 0.598090 0.922598 0.028 Uiso 1 1 calc R U . . .
C93 C 0.4582(3) 0.63188(18) 0.79597(13) 0.0245(8) Uani 1 1 d . . . . .
C142 C 0.9225(3) 0.63904(16) 0.86968(13) 0.0198(7) Uani 1 1 d . . . . .
C84 C 0.6306(3) 0.35819(17) 0.71381(12) 0.0209(7) Uani 1 1 d . . . . .
C40 C 0.4166(3) -0.20702(17) 0.21397(13) 0.0211(7) Uani 1 1 d . . . . .
H40 H 0.334941 -0.216989 0.210287 0.025 Uiso 1 1 calc R U . . .
C146 C 1.0193(3) 0.75017(17) 0.89626(14) 0.0243(8) Uani 1 1 d . . . . .
H146 H 1.044081 0.788334 0.889599 0.029 Uiso 1 1 calc R U . . .
C70 C 0.1073(3) 0.03776(17) 0.39285(13) 0.0204(7) Uani 1 1 d . . . . .
C39 C 0.4838(4) -0.25213(18) 0.18544(14) 0.0272(8) Uani 1 1 d . . . . .
H39 H 0.446928 -0.291646 0.164098 0.033 Uiso 1 1 calc R U . . .
C33 C 0.6357(3) -0.07832(17) 0.28891(12) 0.0191(7) Uani 1 1 d . . . . .
C14 C 0.4344(3) -0.04539(17) 0.14416(13) 0.0202(7) Uani 1 1 d . . . . .
C64 C 0.6991(4) 0.11521(19) 0.54554(13) 0.0268(8) Uani 1 1 d . . . . .
H64 H 0.671109 0.071108 0.537038 0.032 Uiso 1 1 calc R U . . .
C66 C 0.7573(3) 0.21909(18) 0.60657(14) 0.0238(7) Uani 1 1 d . . . . .
H66 H 0.769091 0.244905 0.639083 0.029 Uiso 1 1 calc R U . . .
C56 C 0.5252(3) 0.26388(17) 0.40999(14) 0.0250(8) Uani 1 1 d . . . . .
H56 H 0.557617 0.303621 0.407250 0.030 Uiso 1 1 calc R U . . .
C28 C 1.0332(3) 0.07257(18) 0.13589(13) 0.0250(8) Uani 1 1 d . . . . .
C31 C 0.8060(3) -0.00958(19) 0.33706(14) 0.0270(8) Uani 1 1 d . . . . .
H31 H 0.886810 0.000884 0.344376 0.032 Uiso 1 1 calc R U . . .
C152 C 1.2041(3) 0.62131(18) 1.03486(13) 0.0243(8) Uani 1 1 d . . . . .
H152 H 1.173757 0.577894 1.028909 0.029 Uiso 1 1 calc R U . . .
C110 C 0.9399(3) 0.42469(18) 0.65051(13) 0.0224(7) Uani 1 1 d . . . . .
C29 C 0.6097(3) 0.01275(17) 0.35193(13) 0.0222(7) Uani 1 1 d . . . . .
H29 H 0.559980 0.039798 0.370312 0.027 Uiso 1 1 calc R U . . .
C80 C 0.5252(3) 0.24455(17) 0.67939(13) 0.0221(7) Uani 1 1 d . . . . .
H80 H 0.559236 0.235994 0.705175 0.027 Uiso 1 1 calc R U . . .
C81 C 0.5518(3) 0.30640(17) 0.67555(13) 0.0208(7) Uani 1 1 d . . . . .
C98 C 0.9794(3) 0.22129(18) 0.70084(14) 0.0270(8) Uani 1 1 d . . . . .
H98 H 0.941712 0.180945 0.681063 0.032 Uiso 1 1 calc R U . . .
C105 C 1.1355(3) 0.40191(17) 0.79437(13) 0.0200(7) Uani 1 1 d . . . . .
C13 C 0.3798(3) -0.01331(17) 0.19125(13) 0.0213(7) Uani 1 1 d . . . . .
C97 C 0.9138(3) 0.26729(17) 0.72930(13) 0.0235(7) Uani 1 1 d . . . . .
H97 H 0.832211 0.256532 0.727720 0.028 Uiso 1 1 calc R U . . .
C145 C 1.0436(3) 0.74701(17) 0.94216(14) 0.0237(8) Uani 1 1 d . . . . .
C75 C 0.1389(4) 0.00612(19) 0.42449(14) 0.0281(8) Uani 1 1 d . . . . .
H75 H 0.167332 -0.032948 0.412038 0.034 Uiso 1 1 calc R U . . .
C109 C 0.8782(3) 0.45847(18) 0.69490(13) 0.0226(7) Uani 1 1 d . . . . .
C27 C 0.9119(4) -0.06589(19) 0.02213(14) 0.0290(8) Uani 1 1 d . . . . .
H27 H 0.925580 -0.107699 0.005584 0.035 Uiso 1 1 calc R U . . .
C32 C 0.7595(3) -0.06480(18) 0.29767(13) 0.0220(7) Uani 1 1 d . . . . .
C15 C 0.4916(3) -0.09827(18) 0.13856(14) 0.0249(8) Uani 1 1 d . . . . .
H15 H 0.495011 -0.115003 0.163941 0.030 Uiso 1 1 calc R U . . .
C57 C 0.5376(3) 0.25311(18) 0.45404(14) 0.0260(8) Uani 1 1 d . . . . .
C138 C 1.0344(3) 0.77456(18) 1.16398(13) 0.0241(8) Uani 1 1 d . . . . .
H138 H 1.078033 0.762209 1.185408 0.029 Uiso 1 1 calc R U . . .
C38 C 0.6036(4) -0.23738(19) 0.18936(15) 0.0301(9) Uani 1 1 d . . . . .
H38 H 0.649267 -0.265999 0.169849 0.036 Uiso 1 1 calc R U . . .
C89 C 0.3830(3) 0.57547(18) 0.76430(14) 0.0237(8) Uani 1 1 d . . . . .
C25 C 0.9598(3) 0.03305(18) 0.08989(13) 0.0230(7) Uani 1 1 d . . . . .
C149 C 1.3054(4) 0.72985(19) 0.96031(14) 0.0288(8) Uani 1 1 d . . . . .
H14A H 1.260356 0.698729 0.932087 0.035 Uiso 1 1 calc R U . . .
H14B H 1.388156 0.728891 0.954336 0.035 Uiso 1 1 calc R U . . .
C99 C 1.0992(4) 0.23655(19) 0.70259(14) 0.0280(8) Uani 1 1 d . . . . .
H99 H 1.143930 0.207156 0.683328 0.034 Uiso 1 1 calc R U . . .
C69 C 0.1225(3) 0.00927(17) 0.33929(13) 0.0190(7) Uani 1 1 d . . . . .
C17 C 0.5402(3) -0.10219(18) 0.05703(14) 0.0269(8) Uani 1 1 d . . . . .
C49 C -0.0485(3) 0.1547(2) 0.30689(15) 0.0276(8) Uani 1 1 d . . . . .
C121 C 1.3580(3) 0.44883(19) 0.39956(14) 0.0276(8) Uani 1 1 d . . . . .
C71 C 0.0662(4) 0.09634(19) 0.41257(14) 0.0300(9) Uani 1 1 d . . . . .
H71 H 0.047023 0.118876 0.392344 0.036 Uiso 1 1 calc R U . . .
C111 C 0.9905(3) 0.37074(19) 0.64907(14) 0.0267(8) Uani 1 1 d . . . . .
H111 H 0.982263 0.354284 0.674735 0.032 Uiso 1 1 calc R U . . .
C63 C 0.7245(4) 0.1427(2) 0.50941(15) 0.0318(9) Uani 1 1 d . . . . .
H63 H 0.713064 0.116869 0.476890 0.038 Uiso 1 1 calc R U . . .
C127 C 0.5639(4) 0.58412(19) 0.91274(16) 0.0316(9) Uani 1 1 d . . . . .
H127 H 0.540849 0.601400 0.889625 0.038 Uiso 1 1 calc R U . . .
C151 C 1.2334(3) 0.64352(18) 0.99624(13) 0.0240(8) Uani 1 1 d . . . . .
H151 H 1.222956 0.614593 0.964609 0.029 Uiso 1 1 calc R U . . .
C26 C 0.9785(4) -0.02968(19) 0.06449(14) 0.0276(8) Uani 1 1 d . . . . .
H26 H 1.036032 -0.047405 0.076024 0.033 Uiso 1 1 calc R U . . .
C91 C 0.2806(4) 0.6765(2) 0.82879(16) 0.0349(10) Uani 1 1 d . . . . .
H91 H 0.246591 0.709350 0.850388 0.042 Uiso 1 1 calc R U . . .
C53 C 0.3618(3) 0.10247(17) 0.33019(13) 0.0198(7) Uani 1 1 d . . . . .
C45 C -0.1219(3) 0.0998(2) 0.27315(15) 0.0271(8) Uani 1 1 d . . . . .
C131 C 0.6446(4) 0.5019(2) 0.93339(14) 0.0337(9) Uani 1 1 d . . . . .
H131 H 0.675094 0.463231 0.923982 0.040 Uiso 1 1 calc R U . . .
C155 C 1.2946(3) 0.75071(18) 1.05175(13) 0.0251(8) Uani 1 1 d . . . . .
H155 H 1.325279 0.794072 1.057581 0.030 Uiso 1 1 calc R U . . .
C78 C 0.4022(4) 0.2071(2) 0.60572(14) 0.0308(9) Uani 1 1 d . . . . .
C124 C 1.3701(3) 0.45514(18) 0.35051(14) 0.0247(8) Uani 1 1 d . . . . .
C73 C 0.0842(3) 0.0895(2) 0.49338(14) 0.0303(9) Uani 1 1 d . . . . .
C100 C 1.1542(3) 0.29737(18) 0.73391(14) 0.0247(8) Uani 1 1 d . . . . .
C82 C 0.5047(4) 0.3178(2) 0.63559(14) 0.0313(9) Uani 1 1 d . . . . .
H82 H 0.521469 0.358502 0.632154 0.038 Uiso 1 1 calc R U . . .
C106 C 1.3090(3) 0.4770(2) 0.83510(14) 0.0285(8) Uani 1 1 d . . . . .
H106 H 1.390280 0.488713 0.840300 0.034 Uiso 1 1 calc R U . . .
C88 C 0.2604(4) 0.5722(2) 0.76529(16) 0.0324(9) Uani 1 1 d . . . . .
C125 C 0.6224(3) 0.49097(17) 0.84532(13) 0.0188(7) Uani 1 1 d . . . . .
C108 C 1.1138(3) 0.49929(18) 0.85187(13) 0.0234(7) Uani 1 1 d . . . . .
H108 H 1.065109 0.527561 0.869617 0.028 Uiso 1 1 calc R U . . .
C144 C 1.0037(3) 0.68993(17) 0.95181(13) 0.0232(7) Uani 1 1 d . . . . .
H144 H 1.017212 0.687820 0.982737 0.028 Uiso 1 1 calc R U . . .
C150 C 1.2779(3) 0.70829(17) 1.00407(13) 0.0224(7) Uani 1 1 d . . . . .
C47 C -0.2267(4) 0.1930(2) 0.34437(18) 0.0415(12) Uani 1 1 d . . . . .
H47 H -0.261690 0.223467 0.367860 0.050 Uiso 1 1 calc R U . . .
C113 C 1.0670(4) 0.3655(2) 0.57115(15) 0.0372(10) Uani 1 1 d . . . . .
C16 C 0.5434(3) -0.12627(18) 0.09556(15) 0.0284(8) Uani 1 1 d . . . . .
H16 H 0.581031 -0.161777 0.092354 0.034 Uiso 1 1 calc R U . . .
C136 C 0.9880(4) 0.8564(2) 1.13277(15) 0.0327(9) Uani 1 1 d . . . . .
H136 H 0.999033 0.899240 1.133341 0.039 Uiso 1 1 calc R U . . .
C19 C 0.4289(4) -0.02200(19) 0.10534(14) 0.0281(8) Uani 1 1 d . . . . .
H19 H 0.389519 0.012815 0.108326 0.034 Uiso 1 1 calc R U . . .
C44 C -0.2454(4) 0.0939(2) 0.27529(17) 0.0344(10) Uani 1 1 d . . . . .
C134 C 0.8906(4) 0.7456(2) 1.09696(15) 0.0321(9) Uani 1 1 d . . . . .
C30 C 0.7306(3) 0.02857(19) 0.36448(14) 0.0262(8) Uani 1 1 d . . . . .
H30 H 0.759552 0.064572 0.391138 0.031 Uiso 1 1 calc R U . . .
C92 C 0.4066(4) 0.68199(19) 0.82808(14) 0.0281(8) Uani 1 1 d . . . . .
C59 C 0.4313(3) 0.14480(18) 0.41791(14) 0.0249(8) Uani 1 1 d . . . . .
H59 H 0.400572 0.104736 0.420498 0.030 Uiso 1 1 calc R U . . .
C141 C 0.8625(3) 0.58057(17) 0.82984(13) 0.0222(7) Uani 1 1 d . . . . .
C87 C 0.1907(4) 0.5169(2) 0.73294(18) 0.0395(10) Uani 1 1 d . . . . .
H87 H 0.108996 0.512997 0.732385 0.047 Uiso 1 1 calc R U . . .
C58 C 0.4892(4) 0.19358(18) 0.45803(14) 0.0271(8) Uani 1 1 d . . . . .
H58 H 0.495601 0.186363 0.487633 0.033 Uiso 1 1 calc R U . . .
C96 C 0.6453(4) 0.68674(18) 0.82157(14) 0.0266(8) Uani 1 1 d . . . . .
H96 H 0.726481 0.688981 0.819653 0.032 Uiso 1 1 calc R U . . .
C9 C 0.7248(4) 0.3054(2) 0.29006(15) 0.0310(9) Uani 1 1 d . . . . .
C50 C -0.0259(4) 0.2538(2) 0.37465(16) 0.0383(10) Uani 1 1 d . . . . .
H50 H -0.057124 0.285084 0.399036 0.046 Uiso 1 1 calc R U . . .
C18 C 0.4817(4) -0.04998(19) 0.06194(14) 0.0305(9) Uani 1 1 d . . . . .
H18 H 0.477568 -0.033660 0.036374 0.037 Uiso 1 1 calc R U . . .
C128 C 0.5532(4) 0.6158(2) 0.96166(17) 0.0415(11) Uani 1 1 d . . . . .
H128 H 0.522122 0.654299 0.971198 0.050 Uiso 1 1 calc R U . . .
C104 C 1.2600(3) 0.41701(18) 0.80052(14) 0.0246(8) Uani 1 1 d . . . . .
O25 O 0.9288(6) 0.5313(5) 1.0468(2) 0.056(3) Uani 0.665(19) 1 d G U P C 1
H25A H 0.978281 0.548166 1.070916 0.083 Uiso 0.665(19) 1 d G U P C 1
H25B H 0.954377 0.499869 1.026039 0.083 Uiso 0.665(19) 1 d G U P C 1
C34 C 0.8326(3) -0.1064(2) 0.26718(15) 0.0288(8) Uani 1 1 d . . . . .
H34 H 0.914110 -0.096120 0.272037 0.035 Uiso 1 1 calc R U . . .
C67 C 0.7817(3) 0.24660(19) 0.57035(14) 0.0274(8) Uani 1 1 d . . . . .
H67 H 0.808129 0.290874 0.578894 0.033 Uiso 1 1 calc R U . . .
C62 C 0.7672(3) 0.20898(19) 0.52150(14) 0.0273(8) Uani 1 1 d . . . . .
C107 C 1.2359(3) 0.51774(19) 0.86080(14) 0.0290(8) Uani 1 1 d . . . . .
H107 H 1.266690 0.557183 0.883934 0.035 Uiso 1 1 calc R U . . .
C85 C 0.3661(4) 0.4756(2) 0.70422(16) 0.0328(9) Uani 1 1 d . . . . .
H85 H 0.401240 0.442599 0.683333 0.039 Uiso 1 1 calc R U . . .
C114 C 1.0108(4) 0.4176(2) 0.57141(15) 0.0379(10) Uani 1 1 d . . . . .
H114 H 1.015951 0.432718 0.545012 0.046 Uiso 1 1 calc R U . . .
C74 C 0.1281(4) 0.0324(2) 0.47415(14) 0.0302(9) Uani 1 1 d . . . . .
H74 H 0.150881 0.011216 0.494743 0.036 Uiso 1 1 calc R U . . .
C43 C -0.3138(4) 0.0411(3) 0.24100(19) 0.0435(12) Uani 1 1 d . . . . .
H43 H -0.395513 0.035578 0.241388 0.052 Uiso 1 1 calc R U . . .
C42 C -0.2596(4) -0.0025(3) 0.20689(19) 0.0418(11) Uani 1 1 d . . . . .
H42 H -0.304183 -0.037679 0.183618 0.050 Uiso 1 1 calc R U . . .
C148 C 1.1192(3) 0.80216(18) 0.97997(14) 0.0266(8) Uani 1 1 d . . . . .
H14C H 1.112227 0.795443 1.011243 0.032 Uiso 1 1 calc R U . . .
H14D H 1.090443 0.842211 0.982652 0.032 Uiso 1 1 calc R U . . .
C115 C 0.9476(4) 0.4469(2) 0.61078(14) 0.0319(9) Uani 1 1 d . . . . .
H115 H 0.910281 0.481418 0.610683 0.038 Uiso 1 1 calc R U . . .
C94 C 0.4820(4) 0.73681(19) 0.85807(14) 0.0317(9) Uani 1 1 d . . . . .
H94 H 0.451231 0.770865 0.879939 0.038 Uiso 1 1 calc R U . . .
C135 C 0.9092(4) 0.8095(2) 1.09813(16) 0.0407(11) Uani 1 1 d . . . . .
H135 H 0.868637 0.821347 1.075527 0.049 Uiso 1 1 calc R U . . .
C86 C 0.2439(4) 0.4690(2) 0.70231(18) 0.0394(10) Uani 1 1 d . . . . .
H86 H 0.198873 0.432430 0.680497 0.047 Uiso 1 1 calc R U . . .
C48 C -0.1002(4) 0.2009(2) 0.34308(16) 0.0324(9) Uani 1 1 d . . . . .
C61 C 0.7971(4) 0.2369(2) 0.48105(16) 0.0363(10) Uani 1 1 d . . . . .
H61A H 0.755579 0.207632 0.451257 0.044 Uiso 1 1 calc R U . . .
H61B H 0.880750 0.238027 0.476267 0.044 Uiso 1 1 calc R U . . .
C95 C 0.6016(4) 0.73928(19) 0.85457(14) 0.0319(9) Uani 1 1 d . . . . .
H95 H 0.652951 0.775267 0.873790 0.038 Uiso 1 1 calc R U . . .
C52 C 0.1379(4) 0.21194(19) 0.33247(15) 0.0305(9) Uani 1 1 d . . . . .
H52 H 0.218881 0.216553 0.329195 0.037 Uiso 1 1 calc R U . . .
C24 C 0.8728(4) 0.05808(18) 0.07156(14) 0.0269(8) Uani 1 1 d . . . . .
H24 H 0.859725 0.100083 0.087823 0.032 Uiso 1 1 calc R U . . .
C103 C 1.3308(4) 0.3725(2) 0.77161(16) 0.0311(9) Uani 1 1 d . . . . .
H103 H 1.412497 0.382908 0.775158 0.037 Uiso 1 1 calc R U . . .
C72 C 0.0536(4) 0.1213(2) 0.46196(15) 0.0345(9) Uani 1 1 d . . . . .
H72 H 0.024046 0.159992 0.474545 0.041 Uiso 1 1 calc R U . . .
C139 C 0.9546(3) 0.72836(18) 1.12996(14) 0.0271(8) Uani 1 1 d . . . . .
H139 H 0.943970 0.685515 1.129259 0.033 Uiso 1 1 calc R U . . .
C22 C 0.8255(4) -0.04117(19) 0.00396(14) 0.0283(8) Uani 1 1 d . . . . .
C122 C 1.3408(4) 0.5032(2) 0.43911(16) 0.0394(10) Uani 1 1 d . . . . .
H122 H 1.337368 0.542521 0.434319 0.047 Uiso 1 1 calc R U . . .
C8 C 0.8476(4) 0.3291(2) 0.29786(16) 0.0345(9) Uani 1 1 d . . . . .
C79 C 0.4492(3) 0.19556(18) 0.64570(14) 0.0268(8) Uani 1 1 d . . . . .
H79 H 0.429791 0.155292 0.649747 0.032 Uiso 1 1 calc R U . . .
C102 C 1.2802(4) 0.3152(2) 0.73906(15) 0.0313(9) Uani 1 1 d . . . . .
H102 H 1.327432 0.287248 0.719887 0.038 Uiso 1 1 calc R U . . .
C23 C 0.8054(4) 0.02121(19) 0.02937(14) 0.0283(8) Uani 1 1 d . . . . .
H23 H 0.746543 0.038338 0.018083 0.034 Uiso 1 1 calc R U . . .
C83 C 0.4322(4) 0.2676(2) 0.60070(15) 0.0373(10) Uani 1 1 d . . . . .
H83 H 0.403278 0.274914 0.573432 0.045 Uiso 1 1 calc R U . . .
C41 C -0.1364(4) 0.0063(2) 0.20716(16) 0.0335(9) Uani 1 1 d . . . . .
H41 H -0.100717 -0.024003 0.183829 0.040 Uiso 1 1 calc R U . . .
C129 C 0.5882(4) 0.5911(2) 0.99689(15) 0.0402(11) Uani 1 1 d . . . . .
C20 C 0.5960(4) -0.1364(2) 0.01015(15) 0.0341(9) Uani 1 1 d . . . . .
H20A H 0.554028 -0.180307 -0.002906 0.041 Uiso 1 1 calc R U . . .
H20B H 0.676390 -0.139164 0.018348 0.041 Uiso 1 1 calc R U . . .
C4 C 0.7699(4) 0.2127(2) 0.22185(15) 0.0332(9) Uani 1 1 d . . . . .
C112 C 1.0529(4) 0.3415(2) 0.60961(15) 0.0352(9) Uani 1 1 d . . . . .
H112 H 1.085929 0.305272 0.608851 0.042 Uiso 1 1 calc R U . . .
C60 C 0.6055(4) 0.30431(19) 0.49712(15) 0.0315(9) Uani 1 1 d . . . . .
H60A H 0.591144 0.291800 0.525874 0.038 Uiso 1 1 calc R U . . .
H60B H 0.575977 0.344793 0.502313 0.038 Uiso 1 1 calc R U . . .
C5 C 0.6854(4) 0.24536(19) 0.25125(15) 0.0310(9) Uani 1 1 d . . . . .
C21 C 0.7572(4) -0.0808(2) -0.04328(14) 0.0319(9) Uani 1 1 d . . . . .
H21A H 0.788629 -0.121004 -0.056694 0.038 Uiso 1 1 calc R U . . .
H21B H 0.769821 -0.057271 -0.066206 0.038 Uiso 1 1 calc R U . . .
C3 C 0.7282(5) 0.1552(2) 0.18434(16) 0.0414(11) Uani 1 1 d . . . . .
H3 H 0.780701 0.132408 0.164033 0.050 Uiso 1 1 calc R U . . .
C35 C 0.7835(4) -0.1607(2) 0.23116(15) 0.0304(9) Uani 1 1 d . . . . .
H35 H 0.831885 -0.187139 0.211194 0.037 Uiso 1 1 calc R U . . .
C120 C 1.3634(4) 0.3907(2) 0.40732(16) 0.0328(9) Uani 1 1 d . . . . .
H120 H 1.373120 0.354187 0.381378 0.039 Uiso 1 1 calc R U . . .
C1 C 0.5328(5) 0.1673(2) 0.20901(17) 0.0403(11) Uani 1 1 d . . . . .
H1 H 0.452740 0.150954 0.204684 0.048 Uiso 1 1 calc R U . . .
C76 C 0.0702(4) 0.1170(2) 0.54749(15) 0.0398(10) Uani 1 1 d . . . . .
H76A H 0.076530 0.083566 0.561807 0.048 Uiso 0.813(4) 1 calc R U P A 1
H76B H -0.008391 0.128135 0.552647 0.048 Uiso 0.813(4) 1 calc R U P A 1
H76C H 0.004949 0.090516 0.556403 0.048 Uiso 0.187(4) 1 calc R U P A 2
H76D H 0.050904 0.160353 0.555127 0.048 Uiso 0.187(4) 1 calc R U P A 2
C123 C 1.3288(5) 0.4982(2) 0.48527(16) 0.0432(11) Uani 1 1 d . . . . .
H123 H 1.315446 0.534061 0.511036 0.052 Uiso 1 1 calc R U . . .
C46 C -0.2955(4) 0.1419(3) 0.31194(19) 0.0429(12) Uani 1 1 d . . . . .
H46 H -0.376940 0.137898 0.313537 0.052 Uiso 1 1 calc R U . . .
C6 C 0.8928(4) 0.2387(2) 0.23121(16) 0.0363(10) Uani 1 1 d . . . . .
H6 H 0.947670 0.216679 0.211910 0.044 Uiso 1 1 calc R U . . .
C51 C 0.0926(4) 0.2595(2) 0.36959(16) 0.0360(10) Uani 1 1 d . . . . .
H51 H 0.142960 0.294594 0.390501 0.043 Uiso 1 1 calc R U . . .
C77 C 0.3138(4) 0.1559(2) 0.57007(17) 0.0441(11) Uani 1 1 d . . . . .
H77A H 0.307428 0.115211 0.576611 0.053 Uiso 0.813(4) 1 calc R U P A 1
H77B H 0.337299 0.148894 0.536974 0.053 Uiso 0.813(4) 1 calc R U P A 1
H77C H 0.284207 0.176195 0.548448 0.053 Uiso 0.187(4) 1 calc R U P A 2
H77D H 0.357675 0.123318 0.550412 0.053 Uiso 0.187(4) 1 calc R U P A 2
C12 C 0.6818(5) 0.3923(2) 0.35261(19) 0.0472(12) Uani 1 1 d . . . . .
H12 H 0.626661 0.415288 0.370928 0.057 Uiso 1 1 calc R U . . .
C118 C 1.3364(4) 0.4406(2) 0.49353(16) 0.0385(10) Uani 1 1 d . . . . .
C7 C 0.9303(4) 0.2947(2) 0.26753(17) 0.0387(10) Uani 1 1 d . . . . .
H7 H 1.010403 0.310877 0.272851 0.046 Uiso 1 1 calc R U . . .
C119 C 1.3543(4) 0.3871(2) 0.45444(16) 0.0383(10) Uani 1 1 d . . . . .
H119 H 1.360286 0.348338 0.459642 0.046 Uiso 1 1 calc R U . . .
C133 C 0.8022(4) 0.6955(2) 1.06049(17) 0.0464(12) Uani 1 1 d . . . . .
H13C H 0.803543 0.653458 1.063979 0.056 Uiso 0.5 1 calc R U P B 2
H13D H 0.824345 0.692985 1.027841 0.056 Uiso 0.5 1 calc R U P B 2
H13A H 0.842737 0.671388 1.032979 0.056 Uiso 0.5 1 calc R U P B 1
H13B H 0.747122 0.717044 1.048612 0.056 Uiso 0.5 1 calc R U P B 1
C117 C 1.3303(5) 0.4394(3) 0.54534(18) 0.0514(13) Uani 1 1 d . . . . .
H11A H 1.269054 0.463661 0.560830 0.062 Uiso 1 1 calc R U . . .
H11B H 1.404394 0.461938 0.562827 0.062 Uiso 1 1 calc R U . . .
C90 C 0.2111(4) 0.6241(2) 0.79846(17) 0.0379(10) Uani 1 1 d . . . . .
H90 H 0.129735 0.621619 0.799124 0.045 Uiso 1 1 calc R U . . .
C130 C 0.6349(4) 0.5342(3) 0.98218(16) 0.0455(12) Uani 1 1 d . . . . .
H130 H 0.659903 0.517445 1.005311 0.055 Uiso 1 1 calc R U . . .
C132 C 0.5761(5) 0.6261(3) 1.05028(18) 0.0651(19) Uani 1 1 d . . . . .
H13G H 0.606780 0.603098 1.069666 0.078 Uiso 0.5 1 calc R U P B 2
H13H H 0.493556 0.627589 1.056667 0.078 Uiso 0.5 1 calc R U P B 2
H13E H 0.514878 0.601031 1.062473 0.078 Uiso 0.5 1 calc R U P B 1
H13F H 0.552140 0.667704 1.054087 0.078 Uiso 0.5 1 calc R U P B 1
C116 C 1.1473(6) 0.3363(3) 0.53122(18) 0.0591(16) Uani 1 1 d . . . . .
H11C H 1.133458 0.349728 0.503371 0.071 Uiso 1 1 calc R U . . .
H11D H 1.128762 0.289378 0.520913 0.071 Uiso 1 1 calc R U . . .
C10 C 0.8845(5) 0.3873(2) 0.33582(18) 0.0452(11) Uani 1 1 d . . . . .
H10 H 0.963978 0.404689 0.341940 0.054 Uiso 1 1 calc R U . . .
C2 C 0.6093(5) 0.1324(2) 0.17756(17) 0.0428(11) Uani 1 1 d . . . . .
H2 H 0.580391 0.094403 0.152512 0.051 Uiso 1 1 calc R U . . .
C11 C 0.8010(5) 0.4179(3) 0.3637(2) 0.0619(16) Uani 1 1 d . . . . .
H11 H 0.823623 0.455646 0.389839 0.074 Uiso 1 1 calc R U . . .
O26 O 0.492(2) -0.0207(12) 0.5424(6) 0.059(5) Uani 0.34(3) 1 d G U P D 1
H26A H 0.444757 -0.053551 0.543583 0.089 Uiso 0.34(3) 1 d G U P D 1
H26B H 0.512816 0.004354 0.571147 0.089 Uiso 0.34(3) 1 d G U P D 1
S2A S 0.2096(6) 0.1206(4) 0.5855(2) 0.051(2) Uani 0.187(4) 1 d . . P A 2
O25A O 0.9729(14) 0.4892(9) 1.0442(3) 0.056(6) Uani 0.335(19) 1 d G . P C 2
H25C H 0.915245 0.479722 1.060189 0.083 Uiso 0.335(19) 1 d G U P C 2
H25D H 1.026367 0.515987 1.063718 0.083 Uiso 0.335(19) 1 d G U P C 2
O26A O 0.4435(14) 0.0094(10) 0.5487(3) 0.076(5) Uani 0.66(3) 1 d G . P D 2
H26C H 0.494952 0.030171 0.571605 0.114 Uiso 0.66(3) 1 d G U P D 2
H26D H 0.450261 0.026039 0.526154 0.114 Uiso 0.66(3) 1 d G U P D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
O19 Eu3 Eu4 132.99(6) 2_767 . ?
O19 Eu3 N9 96.98(9) 2_767 . ?
O19 Eu3 C156 26.96(9) 2_767 2_767 ?
O19 Eu3 N10 72.45(9) 2_767 . ?
O19 Eu3 C84 140.23(8) 2_767 . ?
O19 Eu3 C125 84.90(9) 2_767 . ?
O20 Eu3 Eu4 135.87(6) 2_767 . ?
O20 Eu3 O19 53.19(8) 2_767 2_767 ?
O20 Eu3 N9 74.57(8) 2_767 . ?
O20 Eu3 C156 26.49(9) 2_767 2_767 ?
O20 Eu3 N10 104.26(9) 2_767 . ?
O20 Eu3 C84 93.74(8) 2_767 . ?
O20 Eu3 C125 95.19(8) 2_767 . ?
O11 Eu3 Eu4 72.67(6) . . ?
O11 Eu3 O19 130.19(8) . 2_767 ?
O11 Eu3 O20 78.60(8) . 2_767 ?
O11 Eu3 N9 79.31(9) . . ?
O11 Eu3 C156 103.61(9) . 2_767 ?
O11 Eu3 N10 139.61(9) . . ?
O11 Eu3 C84 18.56(8) . . ?
O11 Eu3 C125 88.17(9) . . ?
O17 Eu3 Eu4 58.72(6) . . ?
O17 Eu3 O19 84.26(8) . 2_767 ?
O17 Eu3 O20 132.76(8) . 2_767 ?
O17 Eu3 O11 130.89(9) . . ?
O17 Eu3 N9 137.45(9) . . ?
O17 Eu3 C156 108.01(9) . 2_767 ?
O17 Eu3 N10 76.79(9) . . ?
O17 Eu3 C84 112.42(9) . . ?
O17 Eu3 C125 57.39(8) . . ?
O21 Eu3 Eu4 64.40(6) . . ?
O21 Eu3 O19 79.31(8) . 2_767 ?
O21 Eu3 O20 77.96(8) . 2_767 ?
O21 Eu3 O11 79.13(9) . . ?
O21 Eu3 O17 74.42(8) . . ?
O21 Eu3 N9 147.82(9) . . ?
O21 Eu3 C156 74.51(9) . 2_767 ?
O21 Eu3 N10 141.24(9) . . ?
O21 Eu3 C84 71.69(9) . . ?
O21 Eu3 C125 18.21(8) . . ?
O16 Eu3 Eu4 54.14(7) . . ?
O16 Eu3 O19 151.82(9) . 2_767 ?
O16 Eu3 O20 147.15(9) . 2_767 ?
O16 Eu3 O11 77.03(9) . . ?
O16 Eu3 O17 80.08(9) . . ?
O16 Eu3 O21 118.11(9) . . ?
O16 Eu3 N9 79.53(9) . . ?
O16 Eu3 C156 166.94(10) . 2_767 ?
O16 Eu3 N10 81.20(9) . . ?
O16 Eu3 C84 67.88(9) . . ?
O16 Eu3 C125 105.65(9) . . ?
N9 Eu3 Eu4 129.66(6) . . ?
N9 Eu3 C156 87.74(9) . 2_767 ?
N9 Eu3 N10 63.44(9) . . ?
N9 Eu3 C84 93.59(9) . . ?
N9 Eu3 C125 165.11(9) . . ?
C156 Eu3 Eu4 138.77(7) 2_767 . ?
C156 Eu3 C84 116.29(9) 2_767 . ?
C156 Eu3 C125 87.40(9) 2_767 . ?
N10 Eu3 Eu4 119.38(6) . . ?
N10 Eu3 C156 90.55(9) . 2_767 ?
N10 Eu3 C84 144.74(9) . . ?
N10 Eu3 C125 130.68(9) . . ?
C84 Eu3 Eu4 54.12(6) . . ?
C84 Eu3 C125 76.03(9) . . ?
C125 Eu3 Eu4 51.88(6) . . ?
O9 Eu1 Eu2 63.84(6) . . ?
O9 Eu1 O7 79.15(8) . 2_656 ?
O9 Eu1 O23 77.66(8) . 1_444 ?
O9 Eu1 O8 78.74(8) . 2_656 ?
O9 Eu1 N3 147.44(9) . . ?
O9 Eu1 N4 142.03(9) . . ?
O9 Eu1 C68 75.63(9) . 2_656 ?
O9 Eu1 C140 69.51(8) . 1_444 ?
O9 Eu1 C69 18.58(8) . . ?
O7 Eu1 Eu2 130.21(6) 2_656 . ?
O7 Eu1 N3 100.03(9) 2_656 . ?
O7 Eu1 N4 70.93(8) 2_656 . ?
O7 Eu1 C68 26.50(9) 2_656 2_656 ?
O7 Eu1 C140 140.58(8) 2_656 1_444 ?
O7 Eu1 C69 82.93(9) 2_656 . ?
O23 Eu1 Eu2 71.93(6) 1_444 . ?
O23 Eu1 O7 132.73(8) 1_444 2_656 ?
O23 Eu1 O8 82.57(8) 1_444 2_656 ?
O23 Eu1 N3 79.65(9) 1_444 . ?
O23 Eu1 N4 140.21(9) 1_444 . ?
O23 Eu1 C68 107.17(9) 1_444 2_656 ?
O23 Eu1 C140 18.36(8) 1_444 1_444 ?
O23 Eu1 C69 87.66(9) 1_444 . ?
O8 Eu1 Eu2 138.05(6) 2_656 . ?
O8 Eu1 O7 52.69(8) 2_656 2_656 ?
O8 Eu1 N3 75.41(8) 2_656 . ?
O8 Eu1 N4 100.02(9) 2_656 . ?
O8 Eu1 C68 26.33(9) 2_656 2_656 ?
O8 Eu1 C140 96.98(8) 2_656 1_444 ?
O8 Eu1 C69 95.50(8) 2_656 . ?
O2 Eu1 Eu2 56.96(6) . . ?
O2 Eu1 O9 120.12(9) . . ?
O2 Eu1 O7 149.78(8) . 2_656 ?
O2 Eu1 O23 76.74(9) . 1_444 ?
O2 Eu1 O8 147.35(8) . 2_656 ?
O2 Eu1 N3 76.22(9) . . ?
O2 Eu1 N4 81.05(9) . . ?
O2 Eu1 C68 164.16(9) . 2_656 ?
O2 Eu1 C140 69.38(9) . 1_444 ?
O2 Eu1 C69 108.45(9) . . ?
O6 Eu1 Eu2 57.57(6) . . ?
O6 Eu1 O9 75.57(8) . . ?
O6 Eu1 O7 82.66(8) . 2_656 ?
O6 Eu1 O23 129.15(9) . 1_444 ?
O6 Eu1 O8 131.84(8) . 2_656 ?
O6 Eu1 O2 80.57(9) . . ?
O6 Eu1 N3 136.92(9) . . ?
O6 Eu1 N4 77.88(9) . . ?
O6 Eu1 C68 106.89(9) . 2_656 ?
O6 Eu1 C140 110.80(9) . 1_444 ?
O6 Eu1 C69 57.71(9) . . ?
N3 Eu1 Eu2 129.17(6) . . ?
N3 Eu1 N4 63.10(9) . . ?
N3 Eu1 C68 89.24(9) . 2_656 ?
N3 Eu1 C140 94.25(9) . 1_444 ?
N3 Eu1 C69 165.17(9) . . ?
N4 Eu1 Eu2 120.97(6) . . ?
N4 Eu1 C68 86.81(9) . 2_656 ?
N4 Eu1 C140 146.67(8) . 1_444 ?
N4 Eu1 C69 130.95(9) . . ?
C68 Eu1 Eu2 138.85(7) 2_656 . ?
C68 Eu1 C140 118.77(9) 2_656 1_444 ?
C68 Eu1 C69 87.20(9) 2_656 . ?
C140 Eu1 Eu2 53.64(6) 1_444 . ?
C69 Eu1 Eu2 51.82(6) . . ?
C69 Eu1 C140 74.99(9) . 1_444 ?
Eu1 Eu2 H28B 128.3 . . ?
O10 Eu2 Eu1 59.88(6) . . ?
O10 Eu2 O28 134.97(9) . . ?
O10 Eu2 H28B 112.7 . . ?
O10 Eu2 N6 67.03(9) . . ?
O10 Eu2 N5 73.44(9) . . ?
O5 Eu2 Eu1 65.48(6) . . ?
O5 Eu2 O10 75.31(8) . . ?
O5 Eu2 O1 79.12(9) . . ?
O5 Eu2 O3 144.81(9) . 1_455 ?
O5 Eu2 O28 77.78(9) . . ?
O5 Eu2 H28B 63.5 . . ?
O5 Eu2 N6 76.32(9) . . ?
O5 Eu2 N5 135.07(10) . . ?
O24 Eu2 Eu1 51.77(6) 1_444 . ?
O24 Eu2 O10 77.45(8) 1_444 . ?
O24 Eu2 O5 117.10(9) 1_444 . ?
O24 Eu2 O1 74.86(9) 1_444 . ?
O24 Eu2 O3 81.28(9) 1_444 1_455 ?
O24 Eu2 O28 147.53(9) 1_444 . ?
O24 Eu2 H28B 168.8 1_444 . ?
O24 Eu2 N6 137.48(9) 1_444 . ?
O24 Eu2 N5 86.41(9) 1_444 . ?
O1 Eu2 Eu1 68.01(6) . . ?
O1 Eu2 O10 127.61(8) . . ?
O1 Eu2 O3 77.42(9) . 1_455 ?
O1 Eu2 O28 80.58(9) . . ?
O1 Eu2 H28B 94.7 . . ?
O1 Eu2 N6 146.29(9) . . ?
O1 Eu2 N5 145.80(10) . . ?
O3 Eu2 Eu1 126.70(6) 1_455 . ?
O3 Eu2 O10 139.82(9) 1_455 . ?
O3 Eu2 O28 72.81(9) 1_455 . ?
O3 Eu2 H28B 92.7 1_455 . ?
O3 Eu2 N6 111.39(9) 1_455 . ?
O3 Eu2 N5 71.55(10) 1_455 . ?
O28 Eu2 Eu1 134.92(6) . . ?
O28 Eu2 H28B 22.4 . . ?
O28 Eu2 N6 71.95(9) . . ?
O28 Eu2 N5 103.10(9) . . ?
N6 Eu2 Eu1 120.04(7) . . ?
N6 Eu2 H28B 53.6 . . ?
N5 Eu2 Eu1 121.16(7) . . ?
N5 Eu2 H28B 100.7 . . ?
N5 Eu2 N6 62.12(10) . . ?
O12 Eu4 Eu3 52.89(7) . . ?
O12 Eu4 O18 119.53(9) . . ?
O12 Eu4 O22 79.44(9) . . ?
O12 Eu4 O15 79.83(9) . . ?
O12 Eu4 O14 76.02(9) . 2_766 ?
O12 Eu4 O13 129.09(9) . 2_766 ?
O12 Eu4 N8 142.51(9) . . ?
O12 Eu4 N7 89.10(10) . . ?
O12 Eu4 C109 65.57(9) . . ?
O12 Eu4 C124 101.99(10) . 2_766 ?
O18 Eu4 Eu3 66.94(6) . . ?
O18 Eu4 O22 77.93(9) . . ?
O18 Eu4 O15 76.98(9) . . ?
O18 Eu4 O14 140.81(9) . 2_766 ?
O18 Eu4 O13 98.64(9) . 2_766 ?
O18 Eu4 N8 75.74(9) . . ?
O18 Eu4 N7 137.24(10) . . ?
O18 Eu4 C109 75.78(9) . . ?
O18 Eu4 C124 119.48(10) . 2_766 ?
O22 Eu4 Eu3 62.05(6) . . ?
O22 Eu4 O15 133.47(9) . . ?
O22 Eu4 O14 141.06(9) . 2_766 ?
O22 Eu4 O13 145.11(8) . 2_766 ?
O22 Eu4 N8 70.34(9) . . ?
O22 Eu4 N7 77.18(9) . . ?
O22 Eu4 C109 115.89(9) . . ?
O22 Eu4 C124 156.61(10) . 2_766 ?
O15 Eu4 Eu3 72.19(6) . . ?
O15 Eu4 O14 70.62(9) . 2_766 ?
O15 Eu4 O13 77.40(9) . 2_766 ?
O15 Eu4 N8 137.42(9) . . ?
O15 Eu4 N7 143.24(10) . . ?
O15 Eu4 C109 18.99(9) . . ?
O15 Eu4 C124 68.93(10) . 2_766 ?
O14 Eu4 Eu3 120.54(6) 2_766 . ?
O14 Eu4 N8 115.08(9) 2_766 . ?
O14 Eu4 N7 72.71(10) 2_766 . ?
O14 Eu4 C109 80.30(9) 2_766 . ?
O14 Eu4 C124 26.79(10) 2_766 2_766 ?
O13 Eu4 Eu3 148.52(6) 2_766 . ?
O13 Eu4 O14 53.58(8) 2_766 2_766 ?
O13 Eu4 N8 75.14(9) 2_766 . ?
O13 Eu4 N7 83.07(9) 2_766 . ?
O13 Eu4 C109 96.28(9) 2_766 . ?
O13 Eu4 C124 27.12(10) 2_766 2_766 ?
N8 Eu4 Eu3 123.79(6) . . ?
N8 Eu4 C109 148.54(10) . . ?
N8 Eu4 C124 97.55(10) . 2_766 ?
N7 Eu4 Eu3 126.93(7) . . ?
N7 Eu4 N8 63.35(10) . . ?
N7 Eu4 C109 146.85(10) . . ?
N7 Eu4 C124 79.50(10) . 2_766 ?
C109 Eu4 Eu3 53.91(7) . . ?
C124 Eu4 Eu3 137.01(8) 2_766 . ?
C124 Eu4 C109 85.07(10) 2_766 . ?
C149 S5 C148 100.87(18) . . ?
C20 S1 C21 101.4(2) . . ?
C60 S3 C61 100.9(2) . . ?
C76 S2 C77 103.0(2) . . ?
C117 S4 C116 101.2(3) . . ?
C133 S6A C132 98.7(3) . . ?
C133 S6 C132 95.1(3) . . ?
C156 O19 Eu3 92.3(2) . 2_767 ?
C156 O20 Eu3 93.4(2) . 2_767 ?
C84 O11 Eu3 124.6(2) . . ?
C141 O17 Eu3 148.4(2) . . ?
C69 O9 Eu1 125.2(2) . . ?
C69 O10 Eu2 141.0(2) . . ?
C53 O5 Eu2 132.2(2) . . ?
C68 O7 Eu1 91.3(2) . 2_656 ?
C84 O12 Eu4 164.9(3) . . ?
C125 O21 Eu3 126.2(2) . . ?
C140 O24 Eu2 164.8(2) . 1_666 ?
C140 O23 Eu1 125.4(2) . 1_666 ?
C68 O8 Eu1 95.1(2) . 2_656 ?
H27A O27 H27B 109.5 . . ?
C141 O18 Eu4 131.1(2) . . ?
C125 O22 Eu4 139.7(2) . . ?
C13 O1 Eu2 130.3(2) . . ?
C109 O15 Eu4 122.8(2) . . ?
C28 O3 Eu2 135.5(2) . 1_655 ?
C13 O2 Eu1 150.6(2) . . ?
C124 O14 Eu4 90.7(2) . 2_766 ?
C53 O6 Eu1 151.4(2) . . ?
C37 N3 Eu1 120.3(2) . . ?
C40 N3 Eu1 121.2(2) . . ?
C40 N3 C37 118.3(3) . . ?
Eu2 O28 H28A 109.6 . . ?
Eu2 O28 H28B 85.1 . . ?
H28A O28 H28B 123.8 . . ?
C124 O13 Eu4 92.8(2) . 2_766 ?
C109 O16 Eu3 159.2(2) . . ?
C101 N9 Eu3 120.4(2) . . ?
C97 N9 Eu3 121.2(2) . . ?
C97 N9 C101 118.1(3) . . ?
C93 N8 Eu4 118.1(2) . . ?
C96 N8 Eu4 123.9(3) . . ?
C96 N8 C93 117.5(3) . . ?
C33 N4 Eu1 119.6(2) . . ?
C29 N4 Eu1 122.7(2) . . ?
C29 N4 C33 117.7(3) . . ?
O19 C156 Eu3 60.76(18) . 2_767 ?
O19 C156 C153 119.8(3) . . ?
O20 C156 Eu3 60.15(17) . 2_767 ?
O20 C156 O19 120.0(3) . . ?
O20 C156 C153 120.2(3) . . ?
C153 C156 Eu3 168.8(2) . 2_767 ?
C105 N10 Eu3 118.8(2) . . ?
C108 N10 Eu3 123.4(2) . . ?
C108 N10 C105 117.8(3) . . ?
C49 N6 Eu2 119.0(3) . . ?
C52 N6 Eu2 122.8(3) . . ?
C52 N6 C49 117.7(3) . . ?
O7 C68 Eu1 62.16(18) . 2_656 ?
O7 C68 C65 120.4(3) . . ?
O8 C68 Eu1 58.56(17) . 2_656 ?
O8 C68 O7 120.2(3) . . ?
O8 C68 C65 119.3(3) . . ?
C65 C68 Eu1 171.1(2) . 2_656 ?
C154 C153 C156 120.5(3) . . ?
C152 C153 C156 120.6(3) . . ?
C152 C153 C154 118.8(3) . . ?
C54 C55 H55 120.4 . . ?
C56 C55 H55 120.4 . . ?
C56 C55 C54 119.2(3) . . ?
C89 N7 Eu4 121.8(2) . . ?
C85 N7 Eu4 120.2(3) . . ?
C85 N7 C89 117.9(3) . . ?
C142 C147 H147 119.8 . . ?
C146 C147 H147 119.8 . . ?
C146 C147 C142 120.4(3) . . ?
C64 C65 C68 120.5(3) . . ?
C66 C65 C68 120.8(3) . . ?
C66 C65 C64 118.7(3) . . ?
C45 N5 Eu2 122.4(2) . . ?
C41 N5 Eu2 119.7(3) . . ?
C41 N5 C45 117.8(3) . . ?
N3 C37 C36 122.5(3) . . ?
N3 C37 C33 118.1(3) . . ?
C36 C37 C33 119.3(3) . . ?
C1 N1 C5 118.1(4) . . ?
C138 C137 C140 120.0(3) . . ?
C136 C137 C140 120.9(3) . . ?
C136 C137 C138 119.1(3) . . ?
N9 C101 C105 118.1(3) . . ?
N9 C101 C100 122.5(3) . . ?
C100 C101 C105 119.4(3) . . ?
C153 C154 H154 119.8 . . ?
C155 C154 C153 120.5(3) . . ?
C155 C154 H154 119.8 . . ?
C37 C36 C38 117.8(3) . . ?
C37 C36 C35 119.9(4) . . ?
C38 C36 C35 122.2(3) . . ?
C127 C126 C125 120.7(3) . . ?
C131 C126 C127 119.0(4) . . ?
C131 C126 C125 120.3(3) . . ?
C12 N2 C9 116.8(4) . . ?
O24 C140 Eu1 89.0(2) . 1_666 ?
O24 C140 C137 117.9(3) . . ?
O23 C140 Eu1 36.24(16) . 1_666 ?
O23 C140 O24 125.2(3) . . ?
O23 C140 C137 116.9(3) . . ?
C137 C140 Eu1 153.1(2) . 1_666 ?
C55 C54 C53 119.9(3) . . ?
C59 C54 C55 120.2(3) . . ?
C59 C54 C53 119.9(3) . . ?
C142 C143 H143 120.0 . . ?
C142 C143 C144 119.9(3) . . ?
C144 C143 H143 120.0 . . ?
N8 C93 C89 118.0(3) . . ?
N8 C93 C92 123.0(4) . . ?
C92 C93 C89 119.1(4) . . ?
C147 C142 C141 120.1(3) . . ?
C143 C142 C147 119.3(3) . . ?
C143 C142 C141 120.6(3) . . ?
O11 C84 Eu3 36.86(16) . . ?
O11 C84 O12 124.1(3) . . ?
O11 C84 C81 117.7(3) . . ?
O12 C84 Eu3 87.2(2) . . ?
O12 C84 C81 118.2(3) . . ?
C81 C84 Eu3 154.5(2) . . ?
N3 C40 H40 118.6 . . ?
N3 C40 C39 122.8(3) . . ?
C39 C40 H40 118.6 . . ?
C147 C146 H146 119.7 . . ?
C147 C146 C145 120.6(3) . . ?
C145 C146 H146 119.7 . . ?
C75 C70 C69 119.8(3) . . ?
C71 C70 C75 118.4(3) . . ?
C71 C70 C69 121.8(3) . . ?
C40 C39 H39 120.4 . . ?
C38 C39 C40 119.3(4) . . ?
C38 C39 H39 120.4 . . ?
N4 C33 C37 118.0(3) . . ?
N4 C33 C32 122.7(3) . . ?
C32 C33 C37 119.3(3) . . ?
C15 C14 C13 121.2(3) . . ?
C15 C14 C19 118.5(3) . . ?
C19 C14 C13 120.3(3) . . ?
C65 C64 H64 119.7 . . ?
C63 C64 C65 120.6(4) . . ?
C63 C64 H64 119.7 . . ?
C65 C66 H66 119.7 . . ?
C67 C66 C65 120.5(4) . . ?
C67 C66 H66 119.7 . . ?
C55 C56 H56 119.5 . . ?
C55 C56 C57 121.0(3) . . ?
C57 C56 H56 119.5 . . ?
O3 C28 C25 117.0(3) . . ?
O4 C28 O3 124.9(4) . . ?
O4 C28 C25 118.2(3) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
C30 C31 C32 119.2(3) . . ?
C153 C152 H152 119.9 . . ?
C151 C152 C153 120.2(3) . . ?
C151 C152 H152 119.9 . . ?
C111 C110 C109 119.7(3) . . ?
C111 C110 C115 119.4(3) . . ?
C115 C110 C109 120.9(4) . . ?
N4 C29 H29 118.3 . . ?
N4 C29 C30 123.5(3) . . ?
C30 C29 H29 118.3 . . ?
C81 C80 H80 119.2 . . ?
C79 C80 H80 119.2 . . ?
C79 C80 C81 121.6(3) . . ?
C80 C81 C84 119.5(3) . . ?
C82 C81 C84 121.8(3) . . ?
C82 C81 C80 118.7(3) . . ?
C97 C98 H98 120.4 . . ?
C99 C98 H98 120.4 . . ?
C99 C98 C97 119.1(4) . . ?
N10 C105 C101 118.3(3) . . ?
N10 C105 C104 122.3(3) . . ?
C104 C105 C101 119.4(3) . . ?
O1 C13 O2 125.5(3) . . ?
O1 C13 C14 117.7(3) . . ?
O2 C13 C14 116.8(3) . . ?
N9 C97 C98 123.0(4) . . ?
N9 C97 H97 118.5 . . ?
C98 C97 H97 118.5 . . ?
C146 C145 C144 119.0(3) . . ?
C146 C145 C148 121.1(3) . . ?
C144 C145 C148 119.8(3) . . ?
C70 C75 H75 119.7 . . ?
C74 C75 C70 120.7(4) . . ?
C74 C75 H75 119.7 . . ?
O15 C109 Eu4 38.19(17) . . ?
O15 C109 O16 124.5(3) . . ?
O15 C109 C110 117.8(3) . . ?
O16 C109 Eu4 90.0(2) . . ?
O16 C109 C110 117.7(3) . . ?
C110 C109 Eu4 148.3(3) . . ?
C26 C27 H27 119.3 . . ?
C22 C27 H27 119.3 . . ?
C22 C27 C26 121.4(4) . . ?
C33 C32 C34 120.2(3) . . ?
C31 C32 C33 117.5(3) . . ?
C31 C32 C34 122.3(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
C56 C57 C58 119.4(3) . . ?
C56 C57 C60 120.9(3) . . ?
C58 C57 C60 119.6(4) . . ?
C137 C138 H138 119.7 . . ?
C139 C138 C137 120.7(4) . . ?
C139 C138 H138 119.7 . . ?
C36 C38 H38 120.4 . . ?
C39 C38 C36 119.2(3) . . ?
C39 C38 H38 120.4 . . ?
N7 C89 C93 117.8(3) . . ?
N7 C89 C88 122.5(4) . . ?
C88 C89 C93 119.6(4) . . ?
C26 C25 C28 120.3(3) . . ?
C26 C25 C24 118.3(3) . . ?
C24 C25 C28 121.5(3) . . ?
S5 C149 H14A 108.5 . . ?
S5 C149 H14B 108.5 . . ?
H14A C149 H14B 107.5 . . ?
C150 C149 S5 115.3(3) . . ?
C150 C149 H14A 108.5 . . ?
C150 C149 H14B 108.5 . . ?
C98 C99 H99 120.4 . . ?
C98 C99 C100 119.3(3) . . ?
C100 C99 H99 120.4 . . ?
O9 C69 Eu1 36.19(15) . . ?
O9 C69 C70 117.7(3) . . ?
O10 C69 Eu1 107.3(2) . . ?
O10 C69 O9 124.9(3) . . ?
O10 C69 C70 117.4(3) . . ?
C70 C69 Eu1 124.8(2) . . ?
C16 C17 C20 118.5(4) . . ?
C18 C17 C16 118.8(3) . . ?
C18 C17 C20 122.6(4) . . ?
N6 C49 C45 117.7(4) . . ?
N6 C49 C48 122.4(4) . . ?
C48 C49 C45 119.9(4) . . ?
C122 C121 C124 119.2(4) . . ?
C120 C121 C124 121.5(4) . . ?
C120 C121 C122 119.3(4) . . ?
C70 C71 H71 119.8 . . ?
C72 C71 C70 120.3(4) . . ?
C72 C71 H71 119.8 . . ?
C110 C111 H111 119.9 . . ?
C112 C111 C110 120.2(4) . . ?
C112 C111 H111 119.9 . . ?
C64 C63 H63 119.7 . . ?
C64 C63 C62 120.5(4) . . ?
C62 C63 H63 119.7 . . ?
C126 C127 H127 120.1 . . ?
C128 C127 C126 119.7(4) . . ?
C128 C127 H127 120.1 . . ?
C152 C151 H151 119.5 . . ?
C152 C151 C150 121.1(3) . . ?
C150 C151 H151 119.5 . . ?
C27 C26 C25 120.4(4) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C92 C91 H91 119.7 . . ?
C90 C91 H91 119.7 . . ?
C90 C91 C92 120.7(4) . . ?
O5 C53 O6 125.0(3) . . ?
O5 C53 C54 119.3(3) . . ?
O6 C53 C54 115.7(3) . . ?
N5 C45 C49 117.9(3) . . ?
N5 C45 C44 122.4(4) . . ?
C44 C45 C49 119.7(4) . . ?
C126 C131 H131 119.5 . . ?
C130 C131 C126 120.9(4) . . ?
C130 C131 H131 119.5 . . ?
C154 C155 H155 119.6 . . ?
C154 C155 C150 120.7(3) . . ?
C150 C155 H155 119.6 . . ?
C79 C78 C77 120.5(4) . . ?
C83 C78 C79 119.1(4) . . ?
C83 C78 C77 120.3(4) . . ?
O14 C124 Eu4 62.5(2) . 2_766 ?
O14 C124 O13 121.4(3) . . ?
O14 C124 C121 118.3(3) . . ?
O13 C124 Eu4 60.08(18) . 2_766 ?
O13 C124 C121 120.3(3) . . ?
C121 C124 Eu4 168.0(3) . 2_766 ?
C74 C73 C72 118.6(4) . . ?
C74 C73 C76 120.4(4) . . ?
C72 C73 C76 121.0(4) . . ?
C101 C100 C99 118.0(3) . . ?
C101 C100 C102 120.1(4) . . ?
C99 C100 C102 122.0(3) . . ?
C81 C82 H82 120.2 . . ?
C81 C82 C83 119.5(4) . . ?
C83 C82 H82 120.2 . . ?
C104 C106 H106 120.3 . . ?
C107 C106 H106 120.3 . . ?
C107 C106 C104 119.4(4) . . ?
C89 C88 C87 117.6(4) . . ?
C89 C88 C90 119.7(4) . . ?
C87 C88 C90 122.7(4) . . ?
O21 C125 Eu3 35.58(16) . . ?
O21 C125 C126 117.7(3) . . ?
O22 C125 Eu3 106.3(2) . . ?
O22 C125 O21 124.9(3) . . ?
O22 C125 C126 117.4(3) . . ?
C126 C125 Eu3 125.9(2) . . ?
N10 C108 H108 118.1 . . ?
N10 C108 C107 123.7(3) . . ?
C107 C108 H108 118.1 . . ?
C143 C144 C145 120.8(3) . . ?
C143 C144 H144 119.6 . . ?
C145 C144 H144 119.6 . . ?
C151 C150 C149 118.6(3) . . ?
C151 C150 C155 118.6(3) . . ?
C155 C150 C149 122.8(3) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C46 C47 C48 121.1(4) . . ?
C114 C113 C116 122.2(4) . . ?
C112 C113 C114 118.9(4) . . ?
C112 C113 C116 118.8(4) . . ?
C15 C16 C17 121.1(4) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C137 C136 H136 120.0 . . ?
C137 C136 C135 119.9(4) . . ?
C135 C136 H136 120.0 . . ?
C14 C19 H19 119.5 . . ?
C14 C19 C18 121.1(4) . . ?
C18 C19 H19 119.5 . . ?
C45 C44 C46 119.2(4) . . ?
C43 C44 C45 118.0(4) . . ?
C43 C44 C46 122.8(4) . . ?
C135 C134 C139 118.8(4) . . ?
C135 C134 C133 120.7(4) . . ?
C139 C134 C133 120.5(4) . . ?
C31 C30 C29 119.3(4) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C93 C92 C91 119.8(4) . . ?
C93 C92 C94 117.9(4) . . ?
C94 C92 C91 122.3(4) . . ?
C54 C59 H59 120.0 . . ?
C54 C59 C58 119.9(3) . . ?
C58 C59 H59 120.0 . . ?
O17 C141 C142 116.9(3) . . ?
O18 C141 O17 124.9(3) . . ?
O18 C141 C142 118.2(3) . . ?
C88 C87 H87 120.2 . . ?
C86 C87 C88 119.6(4) . . ?
C86 C87 H87 120.2 . . ?
C57 C58 H58 119.9 . . ?
C59 C58 C57 120.2(4) . . ?
C59 C58 H58 119.9 . . ?
N8 C96 H96 118.3 . . ?
N8 C96 C95 123.5(4) . . ?
C95 C96 H96 118.3 . . ?
N2 C9 C8 123.0(4) . . ?
N2 C9 C5 118.4(4) . . ?
C8 C9 C5 118.7(4) . . ?
C48 C50 H50 120.2 . . ?
C51 C50 H50 120.2 . . ?
C51 C50 C48 119.6(4) . . ?
C17 C18 C19 119.9(4) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C127 C128 H128 119.5 . . ?
C127 C128 C129 121.1(4) . . ?
C129 C128 H128 119.5 . . ?
C105 C104 C103 119.8(4) . . ?
C106 C104 C105 117.7(3) . . ?
C106 C104 C103 122.6(4) . . ?
H25A O25 H25B 109.5 . . ?
C32 C34 H34 119.9 . . ?
C35 C34 C32 120.2(4) . . ?
C35 C34 H34 119.9 . . ?
C66 C67 H67 119.5 . . ?
C66 C67 C62 121.0(4) . . ?
C62 C67 H67 119.5 . . ?
C63 C62 C61 119.0(4) . . ?
C67 C62 C63 118.6(3) . . ?
C67 C62 C61 122.4(4) . . ?
C106 C107 C108 119.2(4) . . ?
C106 C107 H107 120.4 . . ?
C108 C107 H107 120.4 . . ?
N7 C85 H85 118.4 . . ?
N7 C85 C86 123.2(4) . . ?
C86 C85 H85 118.4 . . ?
C113 C114 H114 119.8 . . ?
C115 C114 C113 120.4(4) . . ?
C115 C114 H114 119.8 . . ?
C75 C74 H74 119.6 . . ?
C73 C74 C75 120.8(4) . . ?
C73 C74 H74 119.6 . . ?
C44 C43 H43 120.3 . . ?
C42 C43 C44 119.4(4) . . ?
C42 C43 H43 120.3 . . ?
C43 C42 H42 120.3 . . ?
C43 C42 C41 119.5(5) . . ?
C41 C42 H42 120.3 . . ?
S5 C148 H14C 109.0 . . ?
S5 C148 H14D 109.0 . . ?
C145 C148 S5 112.8(3) . . ?
C145 C148 H14C 109.0 . . ?
C145 C148 H14D 109.0 . . ?
H14C C148 H14D 107.8 . . ?
C110 C115 H115 119.9 . . ?
C114 C115 C110 120.1(4) . . ?
C114 C115 H115 119.9 . . ?
C92 C94 H94 120.5 . . ?
C95 C94 C92 119.0(4) . . ?
C95 C94 H94 120.5 . . ?
C136 C135 H135 119.5 . . ?
C134 C135 C136 120.9(4) . . ?
C134 C135 H135 119.5 . . ?
C87 C86 C85 119.1(4) . . ?
C87 C86 H86 120.4 . . ?
C85 C86 H86 120.4 . . ?
C49 C48 C47 118.8(4) . . ?
C50 C48 C49 118.0(4) . . ?
C50 C48 C47 123.1(4) . . ?
S3 C61 H61A 108.2 . . ?
S3 C61 H61B 108.2 . . ?
C62 C61 S3 116.4(3) . . ?
C62 C61 H61A 108.2 . . ?
C62 C61 H61B 108.2 . . ?
H61A C61 H61B 107.4 . . ?
C96 C95 H95 120.4 . . ?
C94 C95 C96 119.2(4) . . ?
C94 C95 H95 120.4 . . ?
N6 C52 H52 118.5 . . ?
N6 C52 C51 123.0(4) . . ?
C51 C52 H52 118.5 . . ?
C25 C24 H24 119.5 . . ?
C23 C24 C25 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C104 C103 H103 119.7 . . ?
C102 C103 C104 120.7(4) . . ?
C102 C103 H103 119.7 . . ?
C71 C72 C73 121.2(4) . . ?
C71 C72 H72 119.4 . . ?
C73 C72 H72 119.4 . . ?
C138 C139 H139 119.7 . . ?
C134 C139 C138 120.5(4) . . ?
C134 C139 H139 119.7 . . ?
C27 C22 C23 118.6(4) . . ?
C27 C22 C21 120.2(4) . . ?
C23 C22 C21 121.2(4) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 120.1(4) . . ?
C123 C122 H122 120.0 . . ?
C9 C8 C7 120.7(4) . . ?
C10 C8 C9 118.0(4) . . ?
C10 C8 C7 121.3(4) . . ?
C80 C79 C78 119.5(4) . . ?
C80 C79 H79 120.2 . . ?
C78 C79 H79 120.2 . . ?
C100 C102 H102 119.7 . . ?
C103 C102 C100 120.6(4) . . ?
C103 C102 H102 119.7 . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C78 C83 C82 121.5(4) . . ?
C78 C83 H83 119.2 . . ?
C82 C83 H83 119.2 . . ?
N5 C41 C42 122.9(5) . . ?
N5 C41 H41 118.5 . . ?
C42 C41 H41 118.5 . . ?
C128 C129 C132 120.6(5) . . ?
C130 C129 C128 118.8(4) . . ?
C130 C129 C132 120.6(5) . . ?
S1 C20 H20A 108.0 . . ?
S1 C20 H20B 108.0 . . ?
C17 C20 S1 117.2(3) . . ?
C17 C20 H20A 108.0 . . ?
C17 C20 H20B 108.0 . . ?
H20A C20 H20B 107.2 . . ?
C5 C4 C6 120.1(4) . . ?
C3 C4 C5 117.3(4) . . ?
C3 C4 C6 122.6(4) . . ?
C111 C112 C113 120.9(4) . . ?
C111 C112 H112 119.6 . . ?
C113 C112 H112 119.6 . . ?
S3 C60 H60A 108.8 . . ?
S3 C60 H60B 108.8 . . ?
C57 C60 S3 113.8(3) . . ?
C57 C60 H60A 108.8 . . ?
C57 C60 H60B 108.8 . . ?
H60A C60 H60B 107.7 . . ?
N1 C5 C9 118.4(4) . . ?
N1 C5 C4 122.5(4) . . ?
C4 C5 C9 119.1(4) . . ?
S1 C21 H21A 108.6 . . ?
S1 C21 H21B 108.6 . . ?
C22 C21 S1 114.6(3) . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C4 C3 H3 120.1 . . ?
C2 C3 C4 119.8(4) . . ?
C2 C3 H3 120.1 . . ?
C36 C35 H35 119.5 . . ?
C34 C35 C36 120.9(4) . . ?
C34 C35 H35 119.5 . . ?
C121 C120 H120 120.1 . . ?
C121 C120 C119 119.7(4) . . ?
C119 C120 H120 120.1 . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.5(5) . . ?
C2 C1 H1 118.2 . . ?
S2 C76 H76A 108.6 . . ?
S2 C76 H76B 108.6 . . ?
C73 C76 S2 114.8(3) . . ?
C73 C76 H76A 108.6 . . ?
C73 C76 H76B 108.6 . . ?
C73 C76 H76C 109.0 . . ?
C73 C76 H76D 109.0 . . ?
C73 C76 S2A 112.8(4) . . ?
H76A C76 H76B 107.5 . . ?
H76C C76 H76D 107.8 . . ?
S2A C76 H76C 109.0 . . ?
S2A C76 H76D 109.0 . . ?
C122 C123 H123 119.5 . . ?
C118 C123 C122 121.0(4) . . ?
C118 C123 H123 119.5 . . ?
C47 C46 C44 121.3(4) . . ?
C47 C46 H46 119.3 . . ?
C44 C46 H46 119.3 . . ?
C4 C6 H6 119.4 . . ?
C7 C6 C4 121.2(4) . . ?
C7 C6 H6 119.4 . . ?
C50 C51 C52 119.3(4) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 H51 120.4 . . ?
S2 C77 H77A 110.5 . . ?
S2 C77 H77B 110.5 . . ?
C78 C77 S2 106.0(3) . . ?
C78 C77 H77A 110.5 . . ?
C78 C77 H77B 110.5 . . ?
C78 C77 H77C 106.6 . . ?
C78 C77 H77D 106.6 . . ?
H77A C77 H77B 108.7 . . ?
H77C C77 H77D 106.6 . . ?
S2A C77 C78 122.9(4) . . ?
S2A C77 H77C 106.6 . . ?
S2A C77 H77D 106.6 . . ?
N2 C12 H12 118.1 . . ?
N2 C12 C11 123.9(5) . . ?
C11 C12 H12 118.1 . . ?
C123 C118 C119 118.7(4) . . ?
C123 C118 C117 118.5(4) . . ?
C119 C118 C117 122.7(4) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 C8 120.3(5) . . ?
C6 C7 H7 119.8 . . ?
C120 C119 H119 119.4 . . ?
C118 C119 C120 121.1(4) . . ?
C118 C119 H119 119.4 . . ?
S6A C133 H13C 109.2 . . ?
S6A C133 H13D 109.2 . . ?
S6 C133 H13A 109.5 . . ?
S6 C133 H13B 109.5 . . ?
C134 C133 S6A 111.8(4) . . ?
C134 C133 S6 110.6(3) . . ?
C134 C133 H13C 109.2 . . ?
C134 C133 H13D 109.2 . . ?
C134 C133 H13A 109.5 . . ?
C134 C133 H13B 109.5 . . ?
H13C C133 H13D 107.9 . . ?
H13A C133 H13B 108.1 . . ?
S4 C117 H11A 108.3 . . ?
S4 C117 H11B 108.3 . . ?
C118 C117 S4 116.1(4) . . ?
C118 C117 H11A 108.3 . . ?
C118 C117 H11B 108.3 . . ?
H11A C117 H11B 107.4 . . ?
C91 C90 C88 121.2(4) . . ?
C91 C90 H90 119.4 . . ?
C88 C90 H90 119.4 . . ?
C131 C130 H130 119.8 . . ?
C129 C130 C131 120.5(5) . . ?
C129 C130 H130 119.8 . . ?
S6A C132 H13G 109.8 . . ?
S6A C132 H13H 109.8 . . ?
S6 C132 H13E 109.2 . . ?
S6 C132 H13F 109.2 . . ?
C129 C132 S6A 109.6(4) . . ?
C129 C132 S6 112.1(4) . . ?
C129 C132 H13G 109.8 . . ?
C129 C132 H13H 109.8 . . ?
C129 C132 H13E 109.2 . . ?
C129 C132 H13F 109.2 . . ?
H13G C132 H13H 108.2 . . ?
H13E C132 H13F 107.9 . . ?
S4 C116 H11C 109.3 . . ?
S4 C116 H11D 109.3 . . ?
C113 C116 S4 111.5(4) . . ?
C113 C116 H11C 109.3 . . ?
C113 C116 H11D 109.3 . . ?
H11C C116 H11D 108.0 . . ?
C8 C10 H10 120.7 . . ?
C11 C10 C8 118.6(5) . . ?
C11 C10 H10 120.7 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C12 C11 H11 120.1 . . ?
C10 C11 C12 119.7(5) . . ?
C10 C11 H11 120.1 . . ?
H26A O26 H26B 109.5 . . ?
C77 S2A C76 110.9(5) . . ?
H25C O25A H25D 109.5 . . ?
H26C O26A H26D 109.5 . . ?
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
Eu3 Eu4 4.2897(3) . ?
Eu3 O19 2.463(2) 2_767 ?
Eu3 O20 2.451(2) 2_767 ?
Eu3 O11 2.368(2) . ?
Eu3 O17 2.349(2) . ?
Eu3 O21 2.348(2) . ?
Eu3 O16 2.326(2) . ?
Eu3 N9 2.569(3) . ?
Eu3 C156 2.821(3) 2_767 ?
Eu3 N10 2.606(3) . ?
Eu3 C84 3.251(4) . ?
Eu3 C125 3.256(3) . ?
Eu1 Eu2 4.3931(3) . ?
Eu1 O9 2.339(2) . ?
Eu1 O7 2.515(2) 2_656 ?
Eu1 O23 2.360(2) 1_444 ?
Eu1 O8 2.436(2) 2_656 ?
Eu1 O2 2.338(2) . ?
Eu1 O6 2.317(2) . ?
Eu1 N3 2.584(3) . ?
Eu1 N4 2.604(3) . ?
Eu1 C68 2.844(3) 2_656 ?
Eu1 C140 3.254(4) 1_444 ?
Eu1 C69 3.235(3) . ?
Eu2 O10 2.420(2) . ?
Eu2 O5 2.365(2) . ?
Eu2 O24 2.363(2) 1_444 ?
Eu2 O1 2.369(2) . ?
Eu2 O3 2.383(3) 1_455 ?
Eu2 O28 2.432(2) . ?
Eu2 H28B 2.5407 . ?
Eu2 N6 2.668(3) . ?
Eu2 N5 2.581(3) . ?
Eu4 O12 2.314(2) . ?
Eu4 O18 2.350(2) . ?
Eu4 O22 2.371(2) . ?
Eu4 O15 2.385(3) . ?
Eu4 O14 2.482(3) 2_766 ?
Eu4 O13 2.428(2) 2_766 ?
Eu4 N8 2.637(3) . ?
Eu4 N7 2.535(3) . ?
Eu4 C109 3.242(4) . ?
Eu4 C124 2.798(4) 2_766 ?
S5 C149 1.819(4) . ?
S5 C148 1.824(4) . ?
S1 C20 1.817(4) . ?
S1 C21 1.822(4) . ?
S3 C61 1.815(5) . ?
S3 C60 1.809(4) . ?
S2 C76 1.775(5) . ?
S2 C77 1.821(5) . ?
S4 C117 1.783(6) . ?
S4 C116 1.820(7) . ?
S6A C133 1.709(6) . ?
S6A C132 1.946(6) . ?
S6 C133 1.829(6) . ?
S6 C132 1.935(6) . ?
O19 C156 1.280(4) . ?
O20 C156 1.260(4) . ?
O11 C84 1.257(4) . ?
O17 C141 1.267(4) . ?
O9 C69 1.262(4) . ?
O10 C69 1.262(4) . ?
O5 C53 1.258(4) . ?
O7 C68 1.269(4) . ?
O12 C84 1.268(4) . ?
O21 C125 1.261(4) . ?
O24 C140 1.262(4) . ?
O23 C140 1.258(4) . ?
O8 C68 1.267(4) . ?
O27 H27A 0.8500 . ?
O27 H27B 0.8500 . ?
O18 C141 1.257(4) . ?
O22 C125 1.259(4) . ?
O1 C13 1.253(4) . ?
O15 C109 1.255(5) . ?
O3 C28 1.266(4) . ?
O2 C13 1.272(4) . ?
O14 C124 1.261(4) . ?
O6 C53 1.270(4) . ?
N3 C37 1.356(5) . ?
N3 C40 1.328(4) . ?
O28 H28A 0.8555 . ?
O28 H28B 0.9707 . ?
O4 C28 1.255(5) . ?
O13 C124 1.277(5) . ?
O16 C109 1.267(4) . ?
N9 C101 1.357(5) . ?
N9 C97 1.330(5) . ?
N8 C93 1.361(5) . ?
N8 C96 1.327(5) . ?
N4 C33 1.361(4) . ?
N4 C29 1.325(5) . ?
C156 C153 1.483(5) . ?
N10 C105 1.366(4) . ?
N10 C108 1.327(5) . ?
N6 C49 1.364(5) . ?
N6 C52 1.331(5) . ?
C68 C65 1.495(5) . ?
C153 C154 1.404(5) . ?
C153 C152 1.390(5) . ?
C55 H55 0.9300 . ?
C55 C54 1.401(5) . ?
C55 C56 1.384(5) . ?
N7 C89 1.363(5) . ?
N7 C85 1.333(5) . ?
C147 H147 0.9300 . ?
C147 C142 1.399(5) . ?
C147 C146 1.381(5) . ?
C65 C64 1.398(5) . ?
C65 C66 1.392(5) . ?
N5 C45 1.360(5) . ?
N5 C41 1.331(5) . ?
C37 C36 1.401(5) . ?
C37 C33 1.436(5) . ?
N1 C5 1.359(6) . ?
N1 C1 1.321(6) . ?
C137 C140 1.510(5) . ?
C137 C138 1.391(5) . ?
C137 C136 1.388(5) . ?
C101 C105 1.432(5) . ?
C101 C100 1.403(5) . ?
C154 H154 0.9300 . ?
C154 C155 1.381(5) . ?
C36 C38 1.412(5) . ?
C36 C35 1.441(6) . ?
C126 C127 1.393(5) . ?
C126 C131 1.385(5) . ?
C126 C125 1.501(5) . ?
N2 C9 1.360(5) . ?
N2 C12 1.334(6) . ?
C54 C53 1.501(5) . ?
C54 C59 1.386(5) . ?
C143 H143 0.9300 . ?
C143 C142 1.388(5) . ?
C143 C144 1.390(5) . ?
C93 C89 1.443(5) . ?
C93 C92 1.406(5) . ?
C142 C141 1.500(5) . ?
C84 C81 1.494(5) . ?
C40 H40 0.9300 . ?
C40 C39 1.404(5) . ?
C146 H146 0.9300 . ?
C146 C145 1.390(5) . ?
C70 C75 1.400(5) . ?
C70 C69 1.501(5) . ?
C70 C71 1.389(5) . ?
C39 H39 0.9300 . ?
C39 C38 1.363(6) . ?
C33 C32 1.416(5) . ?
C14 C13 1.509(5) . ?
C14 C15 1.389(5) . ?
C14 C19 1.391(5) . ?
C64 H64 0.9300 . ?
C64 C63 1.386(5) . ?
C66 H66 0.9300 . ?
C66 C67 1.388(5) . ?
C56 H56 0.9300 . ?
C56 C57 1.389(5) . ?
C28 C25 1.511(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.409(5) . ?
C31 C30 1.372(5) . ?
C152 H152 0.9300 . ?
C152 C151 1.388(5) . ?
C110 C109 1.504(5) . ?
C110 C111 1.391(6) . ?
C110 C115 1.393(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.400(5) . ?
C80 H80 0.9300 . ?
C80 C81 1.396(5) . ?
C80 C79 1.387(5) . ?
C81 C82 1.391(5) . ?
C98 H98 0.9300 . ?
C98 C97 1.404(5) . ?
C98 C99 1.365(6) . ?
C105 C104 1.418(5) . ?
C97 H97 0.9300 . ?
C145 C144 1.393(5) . ?
C145 C148 1.504(5) . ?
C75 H75 0.9300 . ?
C75 C74 1.385(5) . ?
C27 H27 0.9300 . ?
C27 C26 1.386(5) . ?
C27 C22 1.382(6) . ?
C32 C34 1.428(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(5) . ?
C57 C58 1.391(5) . ?
C57 C60 1.508(5) . ?
C138 H138 0.9300 . ?
C138 C139 1.388(5) . ?
C38 H38 0.9300 . ?
C89 C88 1.401(6) . ?
C25 C26 1.392(5) . ?
C25 C24 1.394(5) . ?
C149 H14A 0.9700 . ?
C149 H14B 0.9700 . ?
C149 C150 1.516(5) . ?
C99 H99 0.9300 . ?
C99 C100 1.410(5) . ?
C17 C16 1.391(6) . ?
C17 C18 1.389(5) . ?
C17 C20 1.523(5) . ?
C49 C45 1.438(6) . ?
C49 C48 1.410(6) . ?
C121 C124 1.483(5) . ?
C121 C122 1.407(6) . ?
C121 C120 1.384(6) . ?
C71 H71 0.9300 . ?
C71 C72 1.379(5) . ?
C111 H111 0.9300 . ?
C111 C112 1.382(5) . ?
C63 H63 0.9300 . ?
C63 C62 1.401(6) . ?
C127 H127 0.9300 . ?
C127 C128 1.382(6) . ?
C151 H151 0.9300 . ?
C151 C150 1.390(5) . ?
C26 H26 0.9300 . ?
C91 H91 0.9300 . ?
C91 C92 1.437(6) . ?
C91 C90 1.348(7) . ?
C45 C44 1.410(5) . ?
C131 H131 0.9300 . ?
C131 C130 1.380(6) . ?
C155 H155 0.9300 . ?
C155 C150 1.393(5) . ?
C78 C79 1.393(6) . ?
C78 C83 1.383(6) . ?
C78 C77 1.511(6) . ?
C73 C74 1.376(6) . ?
C73 C72 1.393(6) . ?
C73 C76 1.511(5) . ?
C100 C102 1.437(6) . ?
C82 H82 0.9300 . ?
C82 C83 1.396(6) . ?
C106 H106 0.9300 . ?
C106 C104 1.414(5) . ?
C106 C107 1.366(6) . ?
C88 C87 1.407(6) . ?
C88 C90 1.429(6) . ?
C108 H108 0.9300 . ?
C108 C107 1.401(5) . ?
C144 H144 0.9300 . ?
C47 H47 0.9300 . ?
C47 C48 1.441(6) . ?
C47 C46 1.353(7) . ?
C113 C114 1.400(7) . ?
C113 C112 1.386(6) . ?
C113 C116 1.522(6) . ?
C16 H16 0.9300 . ?
C136 H136 0.9300 . ?
C136 C135 1.397(6) . ?
C19 H19 0.9300 . ?
C19 C18 1.397(5) . ?
C44 C43 1.394(7) . ?
C44 C46 1.429(7) . ?
C134 C135 1.386(6) . ?
C134 C139 1.388(6) . ?
C134 C133 1.511(6) . ?
C30 H30 0.9300 . ?
C92 C94 1.406(6) . ?
C59 H59 0.9300 . ?
C59 C58 1.391(5) . ?
C87 H87 0.9300 . ?
C87 C86 1.368(7) . ?
C58 H58 0.9300 . ?
C96 H96 0.9300 . ?
C96 C95 1.405(5) . ?
C9 C8 1.422(6) . ?
C9 C5 1.445(6) . ?
C50 H50 0.9300 . ?
C50 C48 1.394(7) . ?
C50 C51 1.362(6) . ?
C18 H18 0.9300 . ?
C128 H128 0.9300 . ?
C128 C129 1.392(7) . ?
C104 C103 1.429(5) . ?
O25 H25A 0.8499 . ?
O25 H25B 0.8500 . ?
C34 H34 0.9300 . ?
C34 C35 1.356(6) . ?
C67 H67 0.9300 . ?
C67 C62 1.389(6) . ?
C62 C61 1.515(5) . ?
C107 H107 0.9300 . ?
C85 H85 0.9300 . ?
C85 C86 1.389(6) . ?
C114 H114 0.9300 . ?
C114 C115 1.386(6) . ?
C74 H74 0.9300 . ?
C43 H43 0.9300 . ?
C43 C42 1.363(7) . ?
C42 H42 0.9300 . ?
C42 C41 1.400(6) . ?
C148 H14C 0.9700 . ?
C148 H14D 0.9700 . ?
C115 H115 0.9300 . ?
C94 H94 0.9300 . ?
C94 C95 1.373(6) . ?
C135 H135 0.9300 . ?
C86 H86 0.9300 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C95 H95 0.9300 . ?
C52 H52 0.9300 . ?
C52 C51 1.404(5) . ?
C24 H24 0.9300 . ?
C24 C23 1.390(5) . ?
C103 H103 0.9300 . ?
C103 C102 1.356(6) . ?
C72 H72 0.9300 . ?
C139 H139 0.9300 . ?
C22 C23 1.390(5) . ?
C22 C21 1.511(5) . ?
C122 H122 0.9300 . ?
C122 C123 1.389(6) . ?
C8 C7 1.430(6) . ?
C8 C10 1.403(7) . ?
C79 H79 0.9300 . ?
C102 H102 0.9300 . ?
C23 H23 0.9300 . ?
C83 H83 0.9300 . ?
C41 H41 0.9300 . ?
C129 C130 1.380(7) . ?
C129 C132 1.512(6) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C4 C5 1.417(6) . ?
C4 C3 1.398(6) . ?
C4 C6 1.434(7) . ?
C112 H112 0.9300 . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C3 H3 0.9300 . ?
C3 C2 1.375(7) . ?
C35 H35 0.9300 . ?
C120 H120 0.9300 . ?
C120 C119 1.402(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.397(7) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C76 H76C 0.9700 . ?
C76 H76D 0.9700 . ?
C76 S2A 1.924(9) . ?
C123 H123 0.9300 . ?
C123 C118 1.383(7) . ?
C46 H46 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.350(7) . ?
C51 H51 0.9300 . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 H77C 0.9700 . ?
C77 H77D 0.9700 . ?
C77 S2A 1.482(9) . ?
C12 H12 0.9300 . ?
C12 C11 1.397(8) . ?
C118 C119 1.391(6) . ?
C118 C117 1.518(6) . ?
C7 H7 0.9300 . ?
C119 H119 0.9300 . ?
C133 H13C 0.9700 . ?
C133 H13D 0.9700 . ?
C133 H13A 0.9700 . ?
C133 H13B 0.9700 . ?
C117 H11A 0.9700 . ?
C117 H11B 0.9700 . ?
C90 H90 0.9300 . ?
C130 H130 0.9300 . ?
C132 H13G 0.9700 . ?
C132 H13H 0.9700 . ?
C132 H13E 0.9700 . ?
C132 H13F 0.9700 . ?
C116 H11C 0.9700 . ?
C116 H11D 0.9700 . ?
C10 H10 0.9300 . ?
C10 C11 1.369(7) . ?
C2 H2 0.9300 . ?
C11 H11 0.9300 . ?
O26 H26A 0.8500 . ?
O26 H26B 0.8500 . ?
O25A H25C 0.8500 . ?
O25A H25D 0.8500 . ?
O26A H26C 0.8499 . ?
O26A H26D 0.8501 . ?
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
Eu3 O19 C156 O20 -11.0(3) 2_767 . . . ?
Eu3 O19 C156 C153 167.2(3) 2_767 . . . ?
Eu3 O20 C156 O19 11.0(3) 2_767 . . . ?
Eu3 O20 C156 C153 -167.1(3) 2_767 . . . ?
Eu3 O11 C84 O12 -1.1(5) . . . . ?
Eu3 O11 C84 C81 179.1(2) . . . . ?
Eu3 O17 C141 O18 15.0(7) . . . . ?
Eu3 O17 C141 C142 -164.0(3) . . . . ?
Eu3 O21 C125 O22 67.3(4) . . . . ?
Eu3 O21 C125 C126 -113.8(3) . . . . ?
Eu3 O16 C109 Eu4 29.6(7) . . . . ?
Eu3 O16 C109 O15 47.3(9) . . . . ?
Eu3 O16 C109 C110 -134.4(6) . . . . ?
Eu3 N9 C101 C105 9.7(4) . . . . ?
Eu3 N9 C101 C100 -171.0(3) . . . . ?
Eu3 N9 C97 C98 171.5(3) . . . . ?
Eu3 C156 C153 C154 -103.4(13) 2_767 . . . ?
Eu3 C156 C153 C152 78.2(14) 2_767 . . . ?
Eu3 N10 C105 C101 -5.2(4) . . . . ?
Eu3 N10 C105 C104 176.0(3) . . . . ?
Eu3 N10 C108 C107 -176.9(3) . . . . ?
Eu3 C84 C81 C80 25.0(7) . . . . ?
Eu3 C84 C81 C82 -154.3(4) . . . . ?
Eu1 O9 C69 O10 70.1(4) . . . . ?
Eu1 O9 C69 C70 -111.9(3) . . . . ?
Eu1 O7 C68 O8 -8.0(3) 2_656 . . . ?
Eu1 O7 C68 C65 170.2(3) 2_656 . . . ?
Eu1 O23 C140 O24 2.8(5) 1_666 . . . ?
Eu1 O23 C140 C137 -177.0(2) 1_666 . . . ?
Eu1 O8 C68 O7 8.3(3) 2_656 . . . ?
Eu1 O8 C68 C65 -169.9(3) 2_656 . . . ?
Eu1 O2 C13 O1 49.2(7) . . . . ?
Eu1 O2 C13 C14 -132.6(4) . . . . ?
Eu1 O6 C53 O5 12.4(7) . . . . ?
Eu1 O6 C53 C54 -167.4(3) . . . . ?
Eu1 N3 C37 C36 -173.0(3) . . . . ?
Eu1 N3 C37 C33 9.8(4) . . . . ?
Eu1 N3 C40 C39 174.9(3) . . . . ?
Eu1 N4 C33 C37 -4.7(4) . . . . ?
Eu1 N4 C33 C32 176.5(2) . . . . ?
Eu1 N4 C29 C30 -179.1(3) . . . . ?
Eu2 O10 C69 Eu1 1.6(4) . . . . ?
Eu2 O10 C69 O9 -34.0(6) . . . . ?
Eu2 O10 C69 C70 148.1(3) . . . . ?
Eu2 O5 C53 O6 29.2(5) . . . . ?
Eu2 O5 C53 C54 -151.0(2) . . . . ?
Eu2 O24 C140 Eu1 19.6(9) 1_666 . . 1_666 ?
Eu2 O24 C140 O23 17.9(11) 1_666 . . . ?
Eu2 O24 C140 C137 -162.3(7) 1_666 . . . ?
Eu2 O1 C13 O2 -31.2(5) . . . . ?
Eu2 O1 C13 C14 150.7(2) . . . . ?
Eu2 O3 C28 O4 22.0(6) 1_655 . . . ?
Eu2 O3 C28 C25 -157.3(2) 1_655 . . . ?
Eu2 N6 C49 C45 -8.5(4) . . . . ?
Eu2 N6 C49 C48 172.7(3) . . . . ?
Eu2 N6 C52 C51 -171.9(3) . . . . ?
Eu2 N5 C45 C49 5.6(4) . . . . ?
Eu2 N5 C45 C44 -175.9(3) . . . . ?
Eu2 N5 C41 C42 176.4(3) . . . . ?
Eu4 O12 C84 Eu3 19.3(9) . . . . ?
Eu4 O12 C84 O11 19.9(11) . . . . ?
Eu4 O12 C84 C81 -160.3(7) . . . . ?
Eu4 O18 C141 O17 29.5(5) . . . . ?
Eu4 O18 C141 C142 -151.5(2) . . . . ?
Eu4 O22 C125 Eu3 -1.9(4) . . . . ?
Eu4 O22 C125 O21 -35.9(6) . . . . ?
Eu4 O22 C125 C126 145.1(3) . . . . ?
Eu4 O15 C109 O16 -29.4(5) . . . . ?
Eu4 O15 C109 C110 152.3(2) . . . . ?
Eu4 O14 C124 O13 12.5(4) 2_766 . . . ?
Eu4 O14 C124 C121 -166.5(3) 2_766 . . . ?
Eu4 O13 C124 O14 -12.8(4) 2_766 . . . ?
Eu4 O13 C124 C121 166.1(3) 2_766 . . . ?
Eu4 N8 C93 C89 -9.3(4) . . . . ?
Eu4 N8 C93 C92 171.1(3) . . . . ?
Eu4 N8 C96 C95 -171.0(3) . . . . ?
Eu4 N7 C89 C93 6.6(4) . . . . ?
Eu4 N7 C89 C88 -173.0(3) . . . . ?
Eu4 N7 C85 C86 174.2(3) . . . . ?
S5 C149 C150 C151 143.4(3) . . . . ?
S5 C149 C150 C155 -36.2(5) . . . . ?
O19 C156 C153 C154 166.7(3) . . . . ?
O19 C156 C153 C152 -11.7(5) . . . . ?
O20 C156 C153 C154 -15.1(5) . . . . ?
O20 C156 C153 C152 166.5(3) . . . . ?
O11 C84 C81 C80 23.8(5) . . . . ?
O11 C84 C81 C82 -155.5(4) . . . . ?
O7 C68 C65 C64 -9.0(5) . . . . ?
O7 C68 C65 C66 168.9(3) . . . . ?
O12 C84 C81 C80 -156.0(3) . . . . ?
O12 C84 C81 C82 24.7(5) . . . . ?
O8 C68 C65 C64 169.2(3) . . . . ?
O8 C68 C65 C66 -12.8(5) . . . . ?
O3 C28 C25 C26 -21.1(5) . . . . ?
O3 C28 C25 C24 159.3(3) . . . . ?
N3 C37 C36 C38 -1.8(5) . . . . ?
N3 C37 C36 C35 -179.5(3) . . . . ?
N3 C37 C33 N4 -3.3(5) . . . . ?
N3 C37 C33 C32 175.5(3) . . . . ?
N3 C40 C39 C38 -2.0(6) . . . . ?
O4 C28 C25 C26 159.5(4) . . . . ?
O4 C28 C25 C24 -20.1(5) . . . . ?
N9 C101 C105 N10 -2.8(5) . . . . ?
N9 C101 C105 C104 176.1(3) . . . . ?
N9 C101 C100 C99 -0.7(5) . . . . ?
N9 C101 C100 C102 -179.1(3) . . . . ?
N8 C93 C89 N7 2.2(5) . . . . ?
N8 C93 C89 C88 -178.2(3) . . . . ?
N8 C93 C92 C91 179.4(3) . . . . ?
N8 C93 C92 C94 0.4(5) . . . . ?
N8 C96 C95 C94 0.2(6) . . . . ?
N4 C33 C32 C31 3.3(5) . . . . ?
N4 C33 C32 C34 -176.7(3) . . . . ?
N4 C29 C30 C31 1.8(6) . . . . ?
C156 C153 C154 C155 -178.1(3) . . . . ?
C156 C153 C152 C151 178.4(3) . . . . ?
N10 C105 C104 C106 1.8(5) . . . . ?
N10 C105 C104 C103 -177.2(3) . . . . ?
N10 C108 C107 C106 0.1(6) . . . . ?
N6 C49 C45 N5 2.2(5) . . . . ?
N6 C49 C45 C44 -176.3(3) . . . . ?
N6 C49 C48 C47 176.8(3) . . . . ?
N6 C49 C48 C50 -0.5(6) . . . . ?
N6 C52 C51 C50 -0.6(6) . . . . ?
C68 C65 C64 C63 178.1(4) . . . . ?
C68 C65 C66 C67 -177.5(3) . . . . ?
C153 C154 C155 C150 0.2(6) . . . . ?
C153 C152 C151 C150 -0.6(6) . . . . ?
C55 C54 C53 O5 -25.6(5) . . . . ?
C55 C54 C53 O6 154.3(3) . . . . ?
C55 C54 C59 C58 -0.3(5) . . . . ?
C55 C56 C57 C58 0.1(6) . . . . ?
C55 C56 C57 C60 178.5(4) . . . . ?
N7 C89 C88 C87 -1.8(6) . . . . ?
N7 C89 C88 C90 178.1(3) . . . . ?
N7 C85 C86 C87 -0.3(7) . . . . ?
C147 C142 C141 O17 159.6(3) . . . . ?
C147 C142 C141 O18 -19.5(5) . . . . ?
C147 C146 C145 C144 -1.3(6) . . . . ?
C147 C146 C145 C148 174.2(4) . . . . ?
C65 C64 C63 C62 0.2(6) . . . . ?
C65 C66 C67 C62 -1.3(6) . . . . ?
N5 C45 C44 C43 -0.5(6) . . . . ?
N5 C45 C44 C46 179.9(3) . . . . ?
C37 N3 C40 C39 -0.5(5) . . . . ?
C37 C36 C38 C39 -0.7(6) . . . . ?
C37 C36 C35 C34 3.8(6) . . . . ?
C37 C33 C32 C31 -175.4(3) . . . . ?
C37 C33 C32 C34 4.6(5) . . . . ?
N1 C1 C2 C3 1.6(7) . . . . ?
C137 C138 C139 C134 1.4(6) . . . . ?
C137 C136 C135 C134 0.6(7) . . . . ?
C101 N9 C97 C98 -1.5(5) . . . . ?
C101 C105 C104 C106 -177.1(3) . . . . ?
C101 C105 C104 C103 3.9(5) . . . . ?
C101 C100 C102 C103 2.4(6) . . . . ?
C154 C153 C152 C151 0.0(5) . . . . ?
C154 C155 C150 C149 178.8(4) . . . . ?
C154 C155 C150 C151 -0.8(6) . . . . ?
C36 C37 C33 N4 179.5(3) . . . . ?
C36 C37 C33 C32 -1.7(5) . . . . ?
C126 C127 C128 C129 0.6(7) . . . . ?
C126 C131 C130 C129 0.9(7) . . . . ?
N2 C9 C8 C7 -178.9(4) . . . . ?
N2 C9 C8 C10 0.6(6) . . . . ?
N2 C9 C5 N1 -1.7(5) . . . . ?
N2 C9 C5 C4 178.7(4) . . . . ?
N2 C12 C11 C10 3.5(9) . . . . ?
C140 C137 C138 C139 176.6(3) . . . . ?
C140 C137 C136 C135 -177.6(4) . . . . ?
C54 C55 C56 C57 -1.8(6) . . . . ?
C54 C59 C58 C57 -1.4(6) . . . . ?
C143 C142 C141 O17 -19.8(5) . . . . ?
C143 C142 C141 O18 161.1(3) . . . . ?
C93 N8 C96 C95 0.6(5) . . . . ?
C93 C89 C88 C87 178.6(3) . . . . ?
C93 C89 C88 C90 -1.5(5) . . . . ?
C93 C92 C94 C95 0.4(5) . . . . ?
C142 C147 C146 C145 -1.1(6) . . . . ?
C142 C143 C144 C145 -0.5(5) . . . . ?
C84 C81 C82 C83 179.6(4) . . . . ?
C40 N3 C37 C36 2.4(5) . . . . ?
C40 N3 C37 C33 -174.8(3) . . . . ?
C40 C39 C38 C36 2.5(6) . . . . ?
C146 C147 C142 C143 2.8(5) . . . . ?
C146 C147 C142 C141 -176.7(3) . . . . ?
C146 C145 C144 C143 2.1(6) . . . . ?
C146 C145 C148 S5 -71.1(4) . . . . ?
C70 C75 C74 C73 1.2(6) . . . . ?
C70 C71 C72 C73 1.6(7) . . . . ?
C33 N4 C29 C30 0.6(5) . . . . ?
C33 C37 C36 C38 175.4(3) . . . . ?
C33 C37 C36 C35 -2.4(5) . . . . ?
C33 C32 C34 C35 -3.2(6) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C14 C19 C18 C17 0.3(6) . . . . ?
C64 C65 C66 C67 0.5(6) . . . . ?
C64 C63 C62 C67 -1.0(6) . . . . ?
C64 C63 C62 C61 178.3(4) . . . . ?
C66 C65 C64 C63 0.0(6) . . . . ?
C66 C67 C62 C63 1.6(6) . . . . ?
C66 C67 C62 C61 -177.8(4) . . . . ?
C56 C55 C54 C53 -175.7(3) . . . . ?
C56 C55 C54 C59 1.8(5) . . . . ?
C56 C57 C58 C59 1.5(6) . . . . ?
C56 C57 C60 S3 -70.0(4) . . . . ?
C28 C25 C26 C27 -179.6(3) . . . . ?
C28 C25 C24 C23 -179.6(3) . . . . ?
C31 C32 C34 C35 176.8(4) . . . . ?
C152 C153 C154 C155 0.3(6) . . . . ?
C152 C151 C150 C149 -178.5(3) . . . . ?
C152 C151 C150 C155 1.0(6) . . . . ?
C110 C111 C112 C113 0.5(6) . . . . ?
C29 N4 C33 C37 175.5(3) . . . . ?
C29 N4 C33 C32 -3.3(5) . . . . ?
C80 C81 C82 C83 0.3(6) . . . . ?
C81 C80 C79 C78 3.0(5) . . . . ?
C81 C82 C83 C78 2.4(7) . . . . ?
C98 C99 C100 C101 -1.3(6) . . . . ?
C98 C99 C100 C102 177.2(4) . . . . ?
C105 N10 C108 C107 1.4(5) . . . . ?
C105 C101 C100 C99 178.6(3) . . . . ?
C105 C101 C100 C102 0.2(5) . . . . ?
C105 C104 C103 C102 -1.5(6) . . . . ?
C13 C14 C15 C16 -178.6(3) . . . . ?
C13 C14 C19 C18 178.3(4) . . . . ?
C97 N9 C101 C105 -177.3(3) . . . . ?
C97 N9 C101 C100 2.1(5) . . . . ?
C97 C98 C99 C100 1.8(6) . . . . ?
C75 C70 C69 Eu1 -36.2(4) . . . . ?
C75 C70 C69 O9 5.7(5) . . . . ?
C75 C70 C69 O10 -176.2(3) . . . . ?
C75 C70 C71 C72 -2.0(6) . . . . ?
C109 C110 C111 C112 -176.4(4) . . . . ?
C109 C110 C115 C114 176.1(4) . . . . ?
C27 C22 C23 C24 1.3(6) . . . . ?
C27 C22 C21 S1 118.3(4) . . . . ?
C32 C31 C30 C29 -1.7(6) . . . . ?
C32 C34 C35 C36 -0.9(6) . . . . ?
C15 C14 C13 O1 -173.2(3) . . . . ?
C15 C14 C13 O2 8.4(5) . . . . ?
C15 C14 C19 C18 -1.3(6) . . . . ?
C138 C137 C140 Eu1 12.0(7) . . . 1_666 ?
C138 C137 C140 O24 -163.9(3) . . . . ?
C138 C137 C140 O23 15.9(5) . . . . ?
C138 C137 C136 C135 1.8(6) . . . . ?
C38 C36 C35 C34 -173.8(4) . . . . ?
C89 N7 C85 C86 -1.2(6) . . . . ?
C89 C93 C92 C91 -0.2(5) . . . . ?
C89 C93 C92 C94 -179.1(3) . . . . ?
C89 C88 C87 C86 0.3(6) . . . . ?
C89 C88 C90 C91 0.3(6) . . . . ?
C25 C24 C23 C22 -1.5(6) . . . . ?
C149 S5 C148 C145 -56.5(3) . . . . ?
C99 C98 C97 N9 -0.4(6) . . . . ?
C99 C100 C102 C103 -176.0(4) . . . . ?
C69 C70 C75 C74 178.5(3) . . . . ?
C69 C70 C71 C72 -179.8(4) . . . . ?
C49 N6 C52 C51 0.4(6) . . . . ?
C49 C45 C44 C43 178.0(3) . . . . ?
C49 C45 C44 C46 -1.6(5) . . . . ?
C121 C122 C123 C118 1.6(7) . . . . ?
C121 C120 C119 C118 1.9(7) . . . . ?
C71 C70 C75 C74 0.6(6) . . . . ?
C71 C70 C69 Eu1 141.6(3) . . . . ?
C71 C70 C69 O9 -176.5(3) . . . . ?
C71 C70 C69 O10 1.5(5) . . . . ?
C111 C110 C109 Eu4 -138.4(4) . . . . ?
C111 C110 C109 O15 -171.6(3) . . . . ?
C111 C110 C109 O16 10.0(5) . . . . ?
C111 C110 C115 C114 -3.6(6) . . . . ?
C63 C62 C61 S3 142.7(3) . . . . ?
C127 C126 C131 C130 0.0(6) . . . . ?
C127 C126 C125 Eu3 143.1(3) . . . . ?
C127 C126 C125 O21 -175.8(3) . . . . ?
C127 C126 C125 O22 3.2(5) . . . . ?
C127 C128 C129 C130 0.4(7) . . . . ?
C127 C128 C129 C132 -180.0(4) . . . . ?
C26 C27 C22 C23 -0.6(6) . . . . ?
C26 C27 C22 C21 177.8(4) . . . . ?
C26 C25 C24 C23 0.8(6) . . . . ?
C91 C92 C94 C95 -178.5(4) . . . . ?
C53 C54 C59 C58 177.3(3) . . . . ?
C45 N5 C41 C42 -0.1(6) . . . . ?
C45 C49 C48 C47 -2.0(5) . . . . ?
C45 C49 C48 C50 -179.2(3) . . . . ?
C45 C44 C43 C42 -0.2(6) . . . . ?
C45 C44 C46 C47 0.4(6) . . . . ?
C131 C126 C127 C128 -0.8(6) . . . . ?
C131 C126 C125 Eu3 -35.9(5) . . . . ?
C131 C126 C125 O21 5.2(5) . . . . ?
C131 C126 C125 O22 -175.8(3) . . . . ?
C78 C77 S2A C76 134.0(4) . . . . ?
C124 C121 C122 C123 179.7(4) . . . . ?
C124 C121 C120 C119 178.6(4) . . . . ?
C100 C101 C105 N10 177.8(3) . . . . ?
C100 C101 C105 C104 -3.3(5) . . . . ?
C106 C104 C103 C102 179.6(4) . . . . ?
C88 C87 C86 C85 0.8(7) . . . . ?
C125 C126 C127 C128 -179.8(4) . . . . ?
C125 C126 C131 C130 179.0(4) . . . . ?
C108 N10 C105 C101 176.5(3) . . . . ?
C108 N10 C105 C104 -2.3(5) . . . . ?
C144 C143 C142 C147 -1.9(5) . . . . ?
C144 C143 C142 C141 177.5(3) . . . . ?
C144 C145 C148 S5 104.4(4) . . . . ?
C113 C114 C115 C110 0.2(6) . . . . ?
C16 C17 C18 C19 1.0(6) . . . . ?
C16 C17 C20 S1 -175.8(3) . . . . ?
C136 C137 C140 Eu1 -168.6(4) . . . 1_666 ?
C136 C137 C140 O24 15.5(5) . . . . ?
C136 C137 C140 O23 -164.7(3) . . . . ?
C136 C137 C138 C139 -2.8(6) . . . . ?
C19 C14 C13 O1 7.2(5) . . . . ?
C19 C14 C13 O2 -171.1(3) . . . . ?
C19 C14 C15 C16 1.0(6) . . . . ?
C44 C43 C42 C41 0.6(6) . . . . ?
C30 C31 C32 C33 -0.7(5) . . . . ?
C30 C31 C32 C34 179.3(4) . . . . ?
C92 C93 C89 N7 -178.2(3) . . . . ?
C92 C93 C89 C88 1.4(5) . . . . ?
C92 C91 C90 C88 0.9(6) . . . . ?
C92 C94 C95 C96 -0.7(6) . . . . ?
C59 C54 C53 O5 156.9(3) . . . . ?
C59 C54 C53 O6 -23.3(5) . . . . ?
C87 C88 C90 C91 -179.7(4) . . . . ?
C58 C57 C60 S3 108.3(4) . . . . ?
C96 N8 C93 C89 178.7(3) . . . . ?
C96 N8 C93 C92 -0.9(5) . . . . ?
C9 N2 C12 C11 -2.2(7) . . . . ?
C9 C8 C7 C6 -0.5(6) . . . . ?
C9 C8 C10 C11 0.6(7) . . . . ?
C18 C17 C16 C15 -1.3(6) . . . . ?
C18 C17 C20 S1 7.3(5) . . . . ?
C128 C129 C130 C131 -1.1(7) . . . . ?
C128 C129 C132 S6A -57.6(5) . . . . ?
C128 C129 C132 S6 -128.5(5) . . . . ?
C104 C106 C107 C108 -0.7(6) . . . . ?
C104 C103 C102 C100 -1.7(6) . . . . ?
C67 C62 C61 S3 -38.0(5) . . . . ?
C107 C106 C104 C105 -0.2(6) . . . . ?
C107 C106 C104 C103 178.8(4) . . . . ?
C85 N7 C89 C93 -178.1(3) . . . . ?
C85 N7 C89 C88 2.3(5) . . . . ?
C114 C113 C112 C111 -3.8(7) . . . . ?
C114 C113 C116 S4 104.0(5) . . . . ?
C74 C73 C72 C71 0.2(7) . . . . ?
C74 C73 C76 S2 107.2(4) . . . . ?
C74 C73 C76 S2A 49.3(6) . . . . ?
C43 C44 C46 C47 -179.2(4) . . . . ?
C43 C42 C41 N5 -0.5(6) . . . . ?
C148 S5 C149 C150 -55.3(3) . . . . ?
C148 C145 C144 C143 -173.4(3) . . . . ?
C115 C110 C109 Eu4 41.9(6) . . . . ?
C115 C110 C109 O15 8.8(5) . . . . ?
C115 C110 C109 O16 -169.7(3) . . . . ?
C115 C110 C111 C112 3.3(6) . . . . ?
C135 C134 C139 C138 1.0(6) . . . . ?
C135 C134 C133 S6A -61.5(5) . . . . ?
C135 C134 C133 S6 -140.8(4) . . . . ?
C48 C49 C45 N5 -179.0(3) . . . . ?
C48 C49 C45 C44 2.5(5) . . . . ?
C48 C47 C46 C44 0.1(6) . . . . ?
C48 C50 C51 C52 0.1(6) . . . . ?
C61 S3 C60 C57 -58.5(3) . . . . ?
C52 N6 C49 C45 178.8(3) . . . . ?
C52 N6 C49 C48 0.1(5) . . . . ?
C24 C25 C26 C27 0.0(6) . . . . ?
C72 C73 C74 C75 -1.6(6) . . . . ?
C72 C73 C76 S2 -72.6(5) . . . . ?
C72 C73 C76 S2A -130.5(5) . . . . ?
C139 C134 C135 C136 -2.0(7) . . . . ?
C139 C134 C133 S6A 118.4(4) . . . . ?
C139 C134 C133 S6 39.2(5) . . . . ?
C22 C27 C26 C25 -0.1(6) . . . . ?
C122 C121 C124 Eu4 -65.2(14) . . . 2_766 ?
C122 C121 C124 O14 25.4(6) . . . . ?
C122 C121 C124 O13 -153.6(4) . . . . ?
C122 C121 C120 C119 -1.4(6) . . . . ?
C122 C123 C118 C119 -1.1(7) . . . . ?
C122 C123 C118 C117 176.2(5) . . . . ?
C8 C9 C5 N1 178.7(4) . . . . ?
C8 C9 C5 C4 -0.9(6) . . . . ?
C8 C10 C11 C12 -2.5(9) . . . . ?
C79 C80 C81 C84 177.7(3) . . . . ?
C79 C80 C81 C82 -3.0(5) . . . . ?
C79 C78 C83 C82 -2.4(7) . . . . ?
C79 C78 C77 S2 110.8(4) . . . . ?
C79 C78 C77 S2A 48.2(7) . . . . ?
C23 C22 C21 S1 -63.4(5) . . . . ?
C83 C78 C79 C80 -0.3(6) . . . . ?
C83 C78 C77 S2 -65.3(5) . . . . ?
C83 C78 C77 S2A -127.9(6) . . . . ?
C41 N5 C45 C49 -177.9(3) . . . . ?
C41 N5 C45 C44 0.6(5) . . . . ?
C20 S1 C21 C22 -53.1(3) . . . . ?
C20 C17 C16 C15 -178.3(4) . . . . ?
C20 C17 C18 C19 177.9(4) . . . . ?
C4 C3 C2 C1 -0.7(6) . . . . ?
C4 C6 C7 C8 0.4(6) . . . . ?
C112 C113 C114 C115 3.5(7) . . . . ?
C112 C113 C116 S4 -73.2(5) . . . . ?
C60 S3 C61 C62 -59.0(4) . . . . ?
C60 C57 C58 C59 -176.9(4) . . . . ?
C5 N1 C1 C2 -1.0(6) . . . . ?
C5 C9 C8 C7 0.7(6) . . . . ?
C5 C9 C8 C10 -179.7(4) . . . . ?
C5 C4 C3 C2 -0.5(6) . . . . ?
C5 C4 C6 C7 -0.7(6) . . . . ?
C21 S1 C20 C17 117.7(3) . . . . ?
C21 C22 C23 C24 -177.0(4) . . . . ?
C3 C4 C5 N1 1.1(6) . . . . ?
C3 C4 C5 C9 -179.3(4) . . . . ?
C3 C4 C6 C7 179.5(4) . . . . ?
C35 C36 C38 C39 177.0(4) . . . . ?
C120 C121 C124 Eu4 114.8(12) . . . 2_766 ?
C120 C121 C124 O14 -154.5(4) . . . . ?
C120 C121 C124 O13 26.4(6) . . . . ?
C120 C121 C122 C123 -0.3(7) . . . . ?
C1 N1 C5 C9 -180.0(4) . . . . ?
C1 N1 C5 C4 -0.4(6) . . . . ?
C76 S2 C77 C78 -166.0(3) . . . . ?
C76 C73 C74 C75 178.6(4) . . . . ?
C76 C73 C72 C71 -180.0(4) . . . . ?
C123 C118 C119 C120 -0.6(7) . . . . ?
C123 C118 C117 S4 164.2(4) . . . . ?
C46 C47 C48 C49 0.7(6) . . . . ?
C46 C47 C48 C50 177.8(4) . . . . ?
C46 C44 C43 C42 179.5(4) . . . . ?
C6 C4 C5 N1 -178.7(4) . . . . ?
C6 C4 C5 C9 0.9(6) . . . . ?
C6 C4 C3 C2 179.3(4) . . . . ?
C51 C50 C48 C49 0.3(6) . . . . ?
C51 C50 C48 C47 -176.8(4) . . . . ?
C77 S2 C76 C73 -63.3(4) . . . . ?
C77 C78 C79 C80 -176.4(4) . . . . ?
C77 C78 C83 C82 173.8(4) . . . . ?
C12 N2 C9 C8 0.1(6) . . . . ?
C12 N2 C9 C5 -179.5(4) . . . . ?
C7 C8 C10 C11 -179.8(5) . . . . ?
C119 C118 C117 S4 -18.7(6) . . . . ?
C133 C134 C135 C136 177.9(4) . . . . ?
C133 C134 C139 C138 -178.9(4) . . . . ?
C117 S4 C116 C113 -81.3(4) . . . . ?
C117 C118 C119 C120 -177.8(4) . . . . ?
C90 C91 C92 C93 -1.0(6) . . . . ?
C90 C91 C92 C94 177.9(4) . . . . ?
C90 C88 C87 C86 -179.7(4) . . . . ?
C130 C129 C132 S6A 122.1(5) . . . . ?
C130 C129 C132 S6 51.1(6) . . . . ?
C132 S6A C133 C134 -145.7(4) . . . . ?
C132 S6 C133 C134 147.2(4) . . . . ?
C132 C129 C130 C131 179.2(4) . . . . ?
C116 S4 C117 C118 -72.0(4) . . . . ?
C116 C113 C114 C115 -173.7(4) . . . . ?
C116 C113 C112 C111 173.5(4) . . . . ?
C10 C8 C7 C6 180.0(4) . . . . ?
