#------------------------------------------------------------------------------
#$Date: 2022-06-08 00:54:25 +0300 (Wed, 08 Jun 2022) $
#$Revision: 275882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/01/7130198.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_7130198
loop_
_publ_author_name
'Wu, Jinjiang'
'Wang, Guo-Lu'
'Zhu, Zhenhua'
'Zhao, Chen'
'Li, Xiao-Lei'
'Zhang, Yi-Quan'
'Tang, Jinkui'
_publ_section_title
;
 Terminal fluoride coordinated air-stable chiral dysprosium single-ion
 magnets
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC02570A
_journal_year                    2022
_chemical_formula_moiety
'C46 H44 Dy F2 N6 O, C24 H20 B, C H4 O, 2(H2 O)'
_chemical_formula_sum            'C71 H72 B Dy F2 N6 O4'
_chemical_formula_weight         1284.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2022-01-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2022-01-18 deposited with the CCDC.	2022-06-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.2300(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7090(5)
_cell_length_b                   23.6685(7)
_cell_length_c                   20.7456(6)
_cell_measurement_reflns_used    9806
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.980
_cell_measurement_theta_min      2.276
_cell_volume                     8156.0(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 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 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      180.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0668
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            83334
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.036
_diffrn_reflns_theta_max         25.036
_diffrn_reflns_theta_min         2.113
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1168 before and 0.0714 after correction.
The Ratio of minimum to maximum transmission is 0.8681.
The λ/2 correction factor is Not present.
;
_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    1.046
_exptl_crystal_description       block
_exptl_crystal_F_000             2644
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.806
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details
;
 Flack x determined using 10447 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.062(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1453
_refine_ls_number_reflns         28704
_refine_ls_number_restraints     496
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0704P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1188
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                25386
_reflns_number_total             28704
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc02570a2.cif
_cod_data_source_block           1
_cod_database_code               7130198
_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   0.893
_shelx_estimated_absorpt_t_min   0.823
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C132-C88
 1.54 with sigma of 0.02
 C140-C104
 1.432 with sigma of 0.02
 H40-H14B
 2 with sigma of 0.02
 H2B-O2
 0.87 with sigma of 0.02
 O2-H2A
 0.87 with sigma of 0.02
 C114-C117
 1.45 with sigma of 0.02
 C114-C116 \\sim C114-C118
 with sigma of 0.02
 Dy1-H1A \\sim Dy1-H1B
 with sigma of 0.02
3. Rigid bond restraints
 C117, C118, C119, C120, C115, C116
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C79, C103
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C114 \\sim C117 \\sim C118 \\sim C119 \\sim C120 \\sim C115 \\sim C116: within
3.8A with sigma of 0.02 and sigma for terminal atoms of 0.01 within 3.8A
C93 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126 \\sim C121 \\sim
C133: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.8A
C96 \\sim C109 \\sim C130 \\sim C111 \\sim C105 \\sim C107 \\sim C110: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C138 \\sim C139 \\sim C134 \\sim C135 \\sim C136 \\sim C137: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
5.a Everything fixed:
 C133, O3, H3A, O5, H5A, H5B, O6, H6A, H6B, O4, H4A, H4B, O8, H8A, H8B
5.b Riding coordinates:
 C127(H12A,H12B,H12C), C133(H13D,H13E,H13F), C142(H14G,H14H,H14I)
5.c Free rotating group:
 O1(H1A,H1B)
5.d Rotating group:
 O2(H2A,H2B)
5.e Ternary CH refined with riding coordinates:
 C13(H13), C36(H36), C39(H39), C40(H40), C43(H43), C60(H60), C74(H74), C93(H93)
5.f Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C12(H12), C15(H15), C16(H16),
 C18(H18), C19(H19), C22(H22), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30),
  C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C38(H38), C41(H41),
 C42(H42), C44(H44), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C52(H52),
  C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C61(H61), C62(H62),
 C63(H63), C64(H64), C65(H65), C66(H66), C70(H70), C71(H71), C72(H72), C73(H73),
  C75(H75), C76(H76), C77(H77), C79(H79), C80(H80), C81(H81), C82(H82),
 C83(H83), C84(H84), C85(H85), C86(H86), C87(H87), C89(H89), C90(H90), C91(H91),
  C92(H92), C95(H95), C97(H97), C99(H99), C100(H100), C102(H102), C103(H103),
 C105(H105), C106(H106), C108(H108), C109(H109), C111(H111), C112(H112),
 C115(H115), C116(H116), C119(H119), C120(H120), C123(H123), C124(H124),
 C125(H125), C126(H126), C128(H128), C129(H129), C130(H130), C131(H131),
 C134(H134), C135(H135), C136(H136), C137(H137), C139(H139)
5.g Fitted hexagon refined as free rotating group:
 C115(C116,C117,C118,C119,C120), C121(C122,C123,C124,C125,C126), C134(C135,
 C136,C137,C138,C139)
5.h Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C110(H11D,H11E,H11F), C113(H11A,H11B,H11C), C132(H13A,
 H13B,H13C), C140(H14A,H14B,H14C), C141(H14D,H14E,H14F), C114(H11G,H11H,H11I)
5.i Idealised tetrahedral OH refined as rotating group:
 O7(H7A)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 1082 electrons were 
found in a volume of 2630Å³ in 1 void per unit cell. 
This is consistent with the presence of 
15[CH3OH] per Asymmetric Unit 
which account for 1080 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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
Dy1 Dy 0.77377(2) 0.54469(2) 0.53285(2) 0.03248(10) Uani 1 1 d D . . . .
Dy2 Dy 0.24968(2) 0.44455(2) 0.06860(2) 0.03817(11) Uani 1 1 d . . . . .
F1 F 0.7694(3) 0.5098(2) 0.4363(2) 0.0459(12) Uani 1 1 d . . . . .
F3 F 0.2211(3) 0.4844(2) -0.0241(3) 0.0548(14) Uani 1 1 d . . . . .
F4 F 0.3110(3) 0.4496(3) 0.1658(2) 0.0604(13) Uani 1 1 d . . . . .
N1 N 0.8996(3) 0.4818(2) 0.5684(3) 0.0319(15) Uani 1 1 d . . . . .
N9 N 0.2311(3) 0.5500(3) 0.1009(3) 0.0412(16) Uani 1 1 d . . . . .
F2 F 0.8332(3) 0.6048(2) 0.6037(3) 0.0563(13) Uani 1 1 d . . . . .
N6 N 0.7514(3) 0.4346(2) 0.5533(3) 0.0274(13) Uani 1 1 d . . . . .
N8 N 0.3723(4) 0.5177(3) 0.0605(4) 0.0399(16) Uani 1 1 d . . . . .
O2 O 0.2290(4) 0.3601(3) 0.1302(3) 0.0627(19) Uani 1 1 d D . . . .
H2A H 0.237065 0.355721 0.172122 0.094 Uiso 1 1 d DR U . . .
H2B H 0.211959 0.327318 0.115519 0.094 Uiso 1 1 d DR U . . .
C1 C 0.8124(4) 0.4031(3) 0.5779(4) 0.0321(17) Uani 1 1 d . . . . .
N5 N 0.6228(3) 0.4984(3) 0.5104(4) 0.0386(16) Uani 1 1 d . . . . .
N2 N 0.9139(4) 0.5746(3) 0.4955(4) 0.0420(17) Uani 1 1 d . . . . .
N4 N 0.6469(4) 0.6106(3) 0.5180(4) 0.0406(17) Uani 1 1 d . . . . .
N12 N 0.2602(3) 0.3550(3) -0.0075(3) 0.0335(15) Uani 1 1 d . . . . .
C2 C 0.8922(4) 0.4309(3) 0.5852(4) 0.0330(17) Uani 1 1 d . . . . .
H2 H 0.938280 0.410217 0.602603 0.040 Uiso 1 1 calc R U . . .
C3 C 0.3654(5) 0.5690(4) 0.0766(5) 0.043(2) Uani 1 1 d . . . . .
H3 H 0.408963 0.594416 0.074076 0.052 Uiso 1 1 calc R U . . .
C4 C 0.9135(4) 0.8285(3) 0.2236(3) 0.0300(16) Uani 1 1 d . . . . .
N7 N 0.3915(4) 0.4049(3) 0.0504(3) 0.0391(16) Uani 1 1 d . . . . .
C5 C 0.3336(4) 0.3348(3) -0.0179(4) 0.0365(18) Uani 1 1 d . . . . .
C6 C 0.8053(4) 0.3477(3) 0.5957(4) 0.0322(16) Uani 1 1 d . . . . .
H6 H 0.851531 0.327278 0.613268 0.039 Uiso 1 1 calc R U . . .
C7 C 0.4930(4) 0.7023(3) 0.1327(4) 0.0357(18) Uani 1 1 d . . . . .
H7 H 0.523461 0.668603 0.139842 0.043 Uiso 1 1 calc R U . . .
N11 N 0.1153(4) 0.3924(3) 0.0178(4) 0.0422(17) Uani 1 1 d . . . . .
C8 C 0.6119(4) 0.4455(4) 0.5180(4) 0.0410(18) Uani 1 1 d . . . . .
H8 H 0.559745 0.429674 0.508064 0.049 Uiso 1 1 calc R U . . .
C9 C 1.0834(4) 0.7073(4) 0.3956(4) 0.040(2) Uani 1 1 d . . . . .
H9 H 1.116374 0.674999 0.404684 0.048 Uiso 1 1 calc R U . . .
N10 N 0.1125(4) 0.4747(3) 0.1062(3) 0.0386(15) Uani 1 1 d . . . . .
C10 C 0.9908(4) 0.7430(3) 0.1868(4) 0.0295(16) Uani 1 1 d . . . . .
C11 C 0.1963(5) 0.3286(3) -0.0349(4) 0.0361(18) Uani 1 1 d . . . . .
C12 C 1.0608(4) 0.7235(3) 0.3310(4) 0.0357(17) Uani 1 1 d . . . . .
H12 H 1.078494 0.701582 0.296878 0.043 Uiso 1 1 calc R U . . .
C13 C 0.4508(4) 0.4962(3) 0.0449(4) 0.040(2) Uani 1 1 d . . . . .
H13 H 0.446962 0.488697 -0.002778 0.048 Uiso 1 1 calc R U . . .
C14 C 0.4760(4) 0.7343(3) 0.1857(4) 0.0352(17) Uani 1 1 d . . . . .
C15 C 0.5046(4) 0.7570(4) 0.3791(4) 0.0362(18) Uani 1 1 d . . . . .
H15 H 0.476241 0.724803 0.391770 0.043 Uiso 1 1 calc R U . . .
C16 C 0.7205(5) 0.7223(4) 0.4207(4) 0.041(2) Uani 1 1 d . . . . .
H16 H 0.675561 0.747082 0.416634 0.050 Uiso 1 1 calc R U . . .
C17 C 0.5176(4) 0.7627(3) 0.3134(4) 0.0349(17) Uani 1 1 d . . . . .
C18 C 1.0105(5) 0.7865(3) 0.4313(4) 0.0374(18) Uani 1 1 d . . . . .
H18 H 0.993635 0.809317 0.465011 0.045 Uiso 1 1 calc R U . . .
C19 C 0.9885(4) 0.8005(3) 0.3670(3) 0.0296(16) Uani 1 1 d . . . . .
H19 H 0.954707 0.832401 0.357766 0.036 Uiso 1 1 calc R U . . .
C20 C 1.0511(5) 0.4671(4) 0.5862(5) 0.051(3) Uani 1 1 d . . . . .
C21 C 1.0787(4) 0.8341(3) 0.2368(4) 0.0313(16) Uani 1 1 d . . . . .
C22 C 0.8544(4) 0.6990(3) 0.4026(4) 0.0352(18) Uani 1 1 d . . . . .
H22 H 0.902827 0.707209 0.384364 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6783(4) 0.4102(3) 0.5415(4) 0.0387(19) Uani 1 1 d . . . . .
C24 C 1.0146(4) 0.7476(3) 0.1247(4) 0.0347(17) Uani 1 1 d . . . . .
H24 H 1.044778 0.779724 0.114394 0.042 Uiso 1 1 calc R U . . .
N3 N 0.7823(3) 0.6370(3) 0.4681(3) 0.0340(15) Uani 1 1 d . . . . .
C25 C 0.6470(4) 0.6555(3) 0.4859(4) 0.0366(19) Uani 1 1 d . . . . .
H25 H 0.600036 0.678465 0.480615 0.044 Uiso 1 1 calc R U . . .
O1 O 0.7247(4) 0.5317(2) 0.6342(3) 0.0493(15) Uani 1 1 d G . . . .
H1A H 0.736389 0.496252 0.641404 0.074 Uiso 1 1 d DG U . . .
H1B H 0.760300 0.550023 0.659847 0.074 Uiso 1 1 d DG U . . .
C26 C 0.1522(5) 0.6228(4) 0.1440(5) 0.046(2) Uani 1 1 d . . . . .
H26 H 0.103068 0.633124 0.159892 0.055 Uiso 1 1 calc R U . . .
C27 C 1.0129(4) 0.7708(3) 0.3159(4) 0.0299(16) Uani 1 1 d . . . . .
C28 C 0.5799(5) 0.6731(3) 0.2698(4) 0.0355(17) Uani 1 1 d . . . . .
C29 C 0.7303(4) 0.3214(3) 0.5878(4) 0.041(2) Uani 1 1 d . . . . .
H29 H 0.722518 0.284144 0.602862 0.049 Uiso 1 1 calc R U . . .
C30 C 0.4023(5) 0.3636(3) 0.0146(4) 0.0384(19) Uani 1 1 d . . . . .
H30 H 0.455247 0.351375 0.008931 0.046 Uiso 1 1 calc R U . . .
C31 C 0.9192(4) 0.6154(4) 0.4585(4) 0.039(2) Uani 1 1 d . . . . .
H31 H 0.968618 0.623372 0.441573 0.047 Uiso 1 1 calc R U . . .
C32 C 0.5757(6) 0.8411(4) 0.4099(6) 0.060(3) Uani 1 1 d . . . . .
H32 H 0.596393 0.867051 0.442445 0.072 Uiso 1 1 calc R U . . .
C33 C 0.1010(4) 0.5253(3) 0.1264(4) 0.0386(18) Uani 1 1 d . . . . .
H33 H 0.051483 0.535089 0.142077 0.046 Uiso 1 1 calc R U . . .
C34 C 0.2726(5) 0.2613(4) -0.0868(4) 0.040(2) Uani 1 1 d . . . . .
H34 H 0.276767 0.229325 -0.113843 0.049 Uiso 1 1 calc R U . . .
C35 C 0.8416(4) 0.8081(4) 0.2441(4) 0.0386(18) Uani 1 1 d . . . . .
H35 H 0.844587 0.774782 0.269872 0.046 Uiso 1 1 calc R U . . .
C36 C 0.9804(4) 0.5071(4) 0.5749(5) 0.044(2) Uani 1 1 d . . . . .
H36 H 0.983567 0.533787 0.612476 0.053 Uiso 1 1 calc R U . . .
C37 C 0.1638(5) 0.5669(4) 0.1252(4) 0.0399(19) Uani 1 1 d . . . . .
C38 C 0.6653(4) 0.3540(3) 0.5556(5) 0.043(2) Uani 1 1 d . . . . .
H38 H 0.614060 0.337253 0.544100 0.051 Uiso 1 1 calc R U . . .
C39 C 0.5702(4) 0.5879(4) 0.5380(5) 0.050(3) Uani 1 1 d . . . . .
H39 H 0.580943 0.573611 0.583494 0.060 Uiso 1 1 calc R U . . .
C40 C 0.0451(4) 0.4339(4) 0.1023(5) 0.052(2) Uani 1 1 d . . . . .
H40 H 0.064443 0.401021 0.130015 0.063 Uiso 1 1 calc DR U . . .
C41 C 0.9062(5) 0.8758(4) 0.1839(4) 0.047(2) Uani 1 1 d . . . . .
H41 H 0.952754 0.890336 0.167162 0.056 Uiso 1 1 calc R U . . .
C42 C 0.9455(4) 0.6933(3) 0.1976(4) 0.0376(18) Uani 1 1 d . . . . .
H42 H 0.928089 0.687406 0.239212 0.045 Uiso 1 1 calc R U . . .
C43 C 0.4599(4) 0.4399(4) 0.0806(4) 0.0414(19) Uani 1 1 d . . . . .
H43 H 0.450375 0.446981 0.126673 0.050 Uiso 1 1 calc R U . . .
C44 C 0.7876(5) 0.7347(3) 0.3915(4) 0.040(2) Uani 1 1 d . . . . .
H44 H 0.788976 0.766862 0.364208 0.048 Uiso 1 1 calc R U . . .
C45 C 0.4704(5) 0.5099(4) 0.4932(6) 0.058(3) Uani 1 1 d . . . . .
C46 C 1.0670(5) 0.4297(4) 0.5392(6) 0.054(2) Uani 1 1 d . . . . .
H46 H 1.030995 0.427961 0.500520 0.065 Uiso 1 1 calc R U . . .
C47 C 0.5627(5) 0.8105(3) 0.2990(4) 0.0384(18) Uani 1 1 d . . . . .
H47 H 0.574285 0.816774 0.255800 0.046 Uiso 1 1 calc R U . . .
C48 C 0.4661(5) 0.7187(4) 0.0685(4) 0.044(2) Uani 1 1 d . . . . .
H48 H 0.479395 0.696360 0.033162 0.053 Uiso 1 1 calc R U . . .
C49 C 0.1181(5) 0.3487(4) -0.0210(4) 0.042(2) Uani 1 1 d . . . . .
H49 H 0.070151 0.330801 -0.039491 0.051 Uiso 1 1 calc R U . . .
C50 C 0.4305(5) 0.7843(4) 0.1713(5) 0.048(2) Uani 1 1 d . . . . .
H50 H 0.418433 0.808160 0.205782 0.058 Uiso 1 1 calc R U . . .
C51 C 0.2901(5) 0.5892(4) 0.0991(4) 0.042(2) Uani 1 1 d . . . . .
C52 C 0.5310(5) 0.7961(4) 0.4255(5) 0.046(2) Uani 1 1 d . . . . .
H52 H 0.518076 0.791705 0.468660 0.055 Uiso 1 1 calc R U . . .
C53 C -0.0349(5) 0.4523(4) 0.1255(5) 0.051(2) Uani 1 1 d . . . . .
C54 C 1.0577(5) 0.7385(4) 0.4464(4) 0.045(2) Uani 1 1 d . . . . .
H54 H 1.071918 0.727483 0.490174 0.054 Uiso 1 1 calc R U . . .
C55 C 0.7189(4) 0.6729(3) 0.4563(4) 0.0323(17) Uani 1 1 d . . . . .
B2 B 1.0003(5) 0.7944(3) 0.2398(4) 0.0266(17) Uani 1 1 d . . . . .
C56 C 0.6644(6) 0.6007(4) 0.3258(5) 0.054(2) Uani 1 1 d . . . . .
H56 H 0.669746 0.570361 0.355882 0.065 Uiso 1 1 calc R U . . .
C57 C -0.0826(5) 0.4895(4) 0.0847(5) 0.056(3) Uani 1 1 d . . . . .
H57 H -0.064676 0.502972 0.045597 0.067 Uiso 1 1 calc R U . . .
C58 C 0.1999(5) 0.2805(4) -0.0752(4) 0.042(2) Uani 1 1 d . . . . .
H58 H 0.152118 0.262334 -0.093641 0.050 Uiso 1 1 calc R U . . .
C59 C 1.0804(6) 0.8915(4) 0.2545(5) 0.049(2) Uani 1 1 d . . . . .
H59 H 1.031462 0.908148 0.264437 0.058 Uiso 1 1 calc R U . . .
C60 C 0.5532(4) 0.5372(4) 0.4930(4) 0.046(2) Uani 1 1 d . . . . .
H60 H 0.557338 0.550740 0.447847 0.055 Uiso 1 1 calc R U . . .
C61 C 0.6477(4) 0.6889(4) 0.2398(4) 0.0396(18) Uani 1 1 d . . . . .
H61 H 0.643044 0.719409 0.209885 0.048 Uiso 1 1 calc R U . . .
C62 C 0.5911(5) 0.4184(4) 0.0335(5) 0.056(3) Uani 1 1 d . . . . .
H62 H 0.571994 0.440994 -0.002799 0.067 Uiso 1 1 calc R U . . .
C63 C 0.9266(5) 0.6545(4) 0.1507(5) 0.043(2) Uani 1 1 d . . . . .
H63 H 0.896303 0.622065 0.159884 0.052 Uiso 1 1 calc R U . . .
C64 C 0.3407(5) 0.2880(4) -0.0593(5) 0.047(2) Uani 1 1 d . . . . .
H64 H 0.392277 0.275214 -0.068098 0.056 Uiso 1 1 calc R U . . .
C65 C 0.7679(5) 0.8323(5) 0.2299(5) 0.058(3) Uani 1 1 d . . . . .
H65 H 0.721739 0.816951 0.246555 0.069 Uiso 1 1 calc R U . . .
C66 C 0.7275(7) 0.6156(5) 0.2954(5) 0.067(3) Uani 1 1 d . . . . .
H66 H 0.776542 0.595151 0.302829 0.081 Uiso 1 1 calc R U . . .
C67 C 0.8486(4) 0.6512(3) 0.4411(4) 0.0317(17) Uani 1 1 d . . . . .
B1 B 0.4972(5) 0.7114(4) 0.2608(5) 0.0319(19) Uani 1 1 d . . . . .
C68 C 0.5035(5) 0.6317(4) 0.5360(5) 0.045(2) Uani 1 1 d . . . . .
C69 C 0.5677(6) 0.3772(4) 0.1368(5) 0.058(3) Uani 1 1 d . . . . .
C70 C 1.1522(5) 0.8117(5) 0.2236(4) 0.049(2) Uani 1 1 d . . . . .
H70 H 1.155624 0.772962 0.212262 0.059 Uiso 1 1 calc R U . . .
C71 C 1.2229(5) 0.8464(5) 0.2271(5) 0.061(3) Uani 1 1 d . . . . .
H71 H 1.272982 0.830933 0.218155 0.073 Uiso 1 1 calc R U . . .
C72 C 0.4462(5) 0.6395(4) 0.4826(5) 0.054(3) Uani 1 1 d . . . . .
H72 H 0.447620 0.616123 0.445443 0.065 Uiso 1 1 calc R U . . .
C73 C 0.4343(6) 0.5087(5) 0.5509(7) 0.072(4) Uani 1 1 d . . . . .
H73 H 0.462683 0.523851 0.589191 0.086 Uiso 1 1 calc R U . . .
C74 C 0.0354(5) 0.4121(4) 0.0322(5) 0.050(2) Uani 1 1 d . . . . .
H74 H 0.021216 0.445460 0.003676 0.060 Uiso 1 1 calc R U . . .
C75 C 1.1485(7) 0.9257(4) 0.2586(5) 0.064(3) Uani 1 1 d . . . . .
H75 H 1.145551 0.964059 0.271737 0.077 Uiso 1 1 calc R U . . .
C76 C 0.5903(5) 0.8484(4) 0.3475(5) 0.053(2) Uani 1 1 d . . . . .
H76 H 0.620401 0.880424 0.336541 0.064 Uiso 1 1 calc R U . . .
C77 C 0.9958(5) 0.7068(4) 0.0774(4) 0.047(2) Uani 1 1 d . . . . .
H77 H 1.014770 0.710986 0.036111 0.056 Uiso 1 1 calc R U . . .
C78 C 0.5425(4) 0.4114(4) 0.0814(5) 0.044(2) Uani 1 1 d . . . . .
C79 C 1.1815(6) 0.3976(6) 0.6017(9) 0.094(5) Uani 1 1 d . U . . .
H79 H 1.226498 0.372962 0.608542 0.113 Uiso 1 1 calc R U . . .
C80 C 0.2116(5) 0.6635(4) 0.1398(6) 0.057(3) Uani 1 1 d . . . . .
H80 H 0.203339 0.701761 0.151275 0.069 Uiso 1 1 calc R U . . .
C81 C 0.5910(6) 0.6285(3) 0.3144(4) 0.047(2) Uani 1 1 d . . . . .
H81 H 0.547482 0.617184 0.337369 0.056 Uiso 1 1 calc R U . . .
C82 C 0.6663(5) 0.3947(5) 0.0345(5) 0.061(3) Uani 1 1 d . . . . .
H82 H 0.698972 0.400602 0.000447 0.073 Uiso 1 1 calc R U . . .
C83 C 0.9508(5) 0.6614(4) 0.0892(4) 0.048(2) Uani 1 1 d . . . . .
H83 H 0.935892 0.634526 0.055992 0.058 Uiso 1 1 calc R U . . .
C84 C 1.1351(6) 0.3929(4) 0.5454(7) 0.065(3) Uani 1 1 d . . . . .
H84 H 1.146393 0.367370 0.512287 0.077 Uiso 1 1 calc R U . . .
C85 C 0.2839(4) 0.6457(4) 0.1181(5) 0.046(2) Uani 1 1 d . . . . .
H85 H 0.327451 0.671245 0.116324 0.055 Uiso 1 1 calc R U . . .
C86 C 1.2170(8) 0.9044(7) 0.2441(6) 0.088(4) Uani 1 1 d . . . . .
H86 H 1.263137 0.927985 0.244997 0.105 Uiso 1 1 calc R U . . .
C87 C 0.7210(5) 0.6619(4) 0.2523(5) 0.052(2) Uani 1 1 d . . . . .
H87 H 0.766367 0.674201 0.232111 0.063 Uiso 1 1 calc R U . . .
C88 C 0.4300(5) 0.4890(4) 0.4369(6) 0.063(3) Uani 1 1 d D . . . .
C89 C 0.3885(6) 0.6799(5) 0.4828(6) 0.068(3) Uani 1 1 d . . . . .
H89 H 0.350844 0.685099 0.445541 0.081 Uiso 1 1 calc R U . . .
C90 C 0.4212(6) 0.7664(4) 0.0573(5) 0.056(3) Uani 1 1 d . . . . .
H90 H 0.402000 0.777226 0.014278 0.068 Uiso 1 1 calc R U . . .
C91 C -0.1566(6) 0.5060(5) 0.1029(7) 0.082(4) Uani 1 1 d . . . . .
H91 H -0.189433 0.531973 0.077096 0.098 Uiso 1 1 calc R U . . .
C92 C 0.7618(6) 0.8797(5) 0.1909(5) 0.067(3) Uani 1 1 d . . . . .
H92 H 0.710740 0.896768 0.179524 0.081 Uiso 1 1 calc R U . . .
C93 C 0.9902(5) 0.5423(6) 0.5134(7) 0.086(3) Uani 1 1 d . U . . .
H93 H 1.003689 0.517668 0.476911 0.103 Uiso 1 1 calc R U . . .
C94 C 1.1013(5) 0.4700(4) 0.6450(6) 0.064(3) Uani 1 1 d . . . . .
C95 C 0.8314(7) 0.9029(5) 0.1676(5) 0.063(3) Uani 1 1 d . . . . .
H95 H 0.827866 0.935978 0.141611 0.076 Uiso 1 1 calc R U . . .
C96 C -0.0349(6) 0.3693(7) 0.0196(7) 0.086(3) Uani 1 1 d . U . . .
C97 C 0.3842(7) 0.7132(5) 0.5360(8) 0.083(4) Uani 1 1 d . . . . .
H97 H 0.342018 0.740078 0.536261 0.100 Uiso 1 1 calc R U . . .
C98 C 0.5014(7) 0.6660(5) 0.5918(6) 0.070(3) Uani 1 1 d . . . . .
C99 C 0.3590(6) 0.4861(5) 0.5538(9) 0.093(5) Uani 1 1 d . . . . .
H99 H 0.335805 0.483817 0.593494 0.112 Uiso 1 1 calc R U . . .
C100 C 0.6917(6) 0.3618(5) 0.0875(6) 0.068(3) Uani 1 1 d . . . . .
H100 H 0.742039 0.342999 0.088830 0.082 Uiso 1 1 calc R U . . .
C101 C 0.5169(8) 0.3663(5) 0.1877(6) 0.082(4) Uani 1 1 d . . . . .
H10A H 0.522768 0.397156 0.219368 0.123 Uiso 1 1 calc R U . . .
H10B H 0.533030 0.330622 0.209256 0.123 Uiso 1 1 calc R U . . .
H10C H 0.460645 0.363806 0.168894 0.123 Uiso 1 1 calc R U . . .
C102 C 0.3175(6) 0.4665(5) 0.4947(8) 0.090(5) Uani 1 1 d . . . . .
H102 H 0.264168 0.452602 0.494856 0.108 Uiso 1 1 calc R U . . .
C103 C 1.1699(7) 0.4345(5) 0.6500(8) 0.092(4) Uani 1 1 d . U . . .
H103 H 1.208117 0.436448 0.687396 0.110 Uiso 1 1 calc R U . . .
C104 C -0.0617(8) 0.4338(7) 0.1808(7) 0.088(4) Uani 1 1 d D . . . .
C105 C -0.1559(7) 0.3322(7) -0.0410(8) 0.096(3) Uani 1 1 d . U . . .
H105 H -0.195548 0.333081 -0.077474 0.115 Uiso 1 1 calc R U . . .
C106 C 0.4040(6) 0.7988(4) 0.1095(5) 0.059(3) Uani 1 1 d . . . . .
H106 H 0.372741 0.832125 0.101775 0.071 Uiso 1 1 calc R U . . .
C107 C -0.0941(6) 0.3760(7) -0.0324(7) 0.091(3) Uani 1 1 d . U . . .
C108 C -0.1821(8) 0.4841(7) 0.1595(9) 0.109(6) Uani 1 1 d . . . . .
H108 H -0.234568 0.492845 0.170307 0.131 Uiso 1 1 calc R U . . .
C109 C -0.0344(7) 0.3218(7) 0.0618(8) 0.095(3) Uani 1 1 d . U . . .
H109 H 0.008487 0.316472 0.095226 0.114 Uiso 1 1 calc R U . . .
C110 C -0.0920(7) 0.4219(7) -0.0763(7) 0.097(4) Uani 1 1 d . U . . .
H11D H -0.102676 0.457210 -0.054204 0.146 Uiso 1 1 calc R U . . .
H11E H -0.133035 0.416273 -0.113235 0.146 Uiso 1 1 calc R U . . .
H11F H -0.038697 0.423766 -0.091864 0.146 Uiso 1 1 calc R U . . .
C111 C -0.1562(8) 0.2915(8) 0.0021(8) 0.101(3) Uani 1 1 d . U . . .
H111 H -0.199937 0.265603 -0.001936 0.121 Uiso 1 1 calc R U . . .
C112 C 0.3516(6) 0.4668(5) 0.4376(7) 0.084(4) Uani 1 1 d . . . . .
H112 H 0.323012 0.452321 0.399074 0.101 Uiso 1 1 calc R U . . .
C113 C 0.5639(9) 0.6626(6) 0.6496(7) 0.099(5) Uani 1 1 d . . . . .
H11A H 0.616451 0.673497 0.636667 0.149 Uiso 1 1 calc R U . . .
H11B H 0.566758 0.623767 0.666214 0.149 Uiso 1 1 calc R U . . .
H11C H 0.549319 0.688181 0.683533 0.149 Uiso 1 1 calc R U . . .
C115 C 0.6604(4) 0.6011(3) 0.0971(6) 0.108(4) Uani 1 1 d G U . . .
H115 H 0.707427 0.623032 0.108623 0.130 Uiso 1 1 calc R U . . .
C116 C 0.6256(5) 0.6000(3) 0.0331(5) 0.103(3) Uani 1 1 d DG U . . .
H116 H 0.648792 0.621216 0.000959 0.124 Uiso 1 1 calc R U . . .
C117 C 0.5568(5) 0.5680(4) 0.0162(4) 0.105(3) Uani 1 1 d DG U . . .
C118 C 0.5229(3) 0.5370(3) 0.0632(4) 0.084(3) Uani 1 1 d DG U . . .
C119 C 0.5577(4) 0.5381(3) 0.1272(4) 0.097(3) Uani 1 1 d G U . . .
H119 H 0.534501 0.516892 0.159345 0.116 Uiso 1 1 calc R U . . .
C120 C 0.6265(4) 0.5701(4) 0.1441(4) 0.105(4) Uani 1 1 d G U . . .
H120 H 0.650281 0.570869 0.187817 0.126 Uiso 1 1 calc R U . . .
C121 C 1.1292(6) 0.5807(4) 0.5027(5) 0.111(3) Uani 1 1 d G U . . .
C122 C 1.0606(5) 0.5852(4) 0.5348(6) 0.109(3) Uani 1 1 d G U . . .
C123 C 1.0586(5) 0.6235(4) 0.5853(5) 0.114(3) Uani 1 1 d G U . . .
H123 H 1.011734 0.626594 0.607229 0.136 Uiso 1 1 calc R U . . .
C124 C 1.1251(7) 0.6574(4) 0.6037(5) 0.124(4) Uani 1 1 d G U . . .
H124 H 1.123711 0.683619 0.638267 0.149 Uiso 1 1 calc R U . . .
C125 C 1.1937(5) 0.6529(4) 0.5716(6) 0.126(4) Uani 1 1 d G U . . .
H125 H 1.239117 0.676066 0.584243 0.151 Uiso 1 1 calc R U . . .
C126 C 1.1957(5) 0.6146(5) 0.5211(6) 0.120(3) Uani 1 1 d G U . . .
H126 H 1.242546 0.611489 0.499179 0.144 Uiso 1 1 calc R U . . .
C127 C 1.0914(8) 0.5069(5) 0.6993(7) 0.089(4) Uani 1 1 d . . . . .
H12A H 1.086776 0.546095 0.684305 0.134 Uiso 1 1 d R U . . .
H12B H 1.042546 0.496105 0.718445 0.134 Uiso 1 1 d R U . . .
H12C H 1.138156 0.503185 0.731935 0.134 Uiso 1 1 d R U . . .
C128 C 0.6461(6) 0.3552(5) 0.1393(6) 0.072(3) Uani 1 1 d . . . . .
H128 H 0.668302 0.335576 0.176990 0.086 Uiso 1 1 calc R U . . .
C129 C 0.4416(8) 0.7080(6) 0.5902(7) 0.091(5) Uani 1 1 d . . . . .
H129 H 0.440218 0.732980 0.625943 0.109 Uiso 1 1 calc R U . . .
C130 C -0.0960(7) 0.2841(7) 0.0535(8) 0.099(3) Uani 1 1 d . U . . .
H130 H -0.098000 0.253051 0.082340 0.119 Uiso 1 1 calc R U . . .
C131 C -0.1341(9) 0.4512(9) 0.1987(8) 0.125(6) Uani 1 1 d . . . . .
H131 H -0.150185 0.439690 0.239220 0.150 Uiso 1 1 calc R U . . .
C132 C 0.4655(7) 0.4923(6) 0.3740(7) 0.093(4) Uani 1 1 d D . . . .
H13A H 0.425871 0.479356 0.338863 0.140 Uiso 1 1 calc R U . . .
H13B H 0.513455 0.468261 0.376063 0.140 Uiso 1 1 calc R U . . .
H13C H 0.480559 0.531491 0.365905 0.140 Uiso 1 1 calc R U . . .
C133 C 1.138950 0.544900 0.449830 0.132 Uani 1 1 d . U . . .
H13D H 1.171920 0.512110 0.464370 0.198 Uiso 1 1 d R U . . .
H13E H 1.166300 0.566680 0.418540 0.198 Uiso 1 1 d R U . . .
H13F H 1.086580 0.532010 0.429220 0.198 Uiso 1 1 d R U . . .
C134 C 0.2791(3) 0.6809(3) 0.3055(3) 0.077(3) Uani 1 1 d G U . . .
H134 H 0.236357 0.702424 0.319862 0.092 Uiso 1 1 calc R U . . .
C135 C 0.2685(3) 0.6237(3) 0.2924(3) 0.074(3) Uani 1 1 d G U . . .
H135 H 0.218614 0.606008 0.297796 0.089 Uiso 1 1 calc R U . . .
C136 C 0.3310(4) 0.5922(2) 0.2715(4) 0.082(3) Uani 1 1 d G U . . .
H136 H 0.323805 0.553059 0.262494 0.098 Uiso 1 1 calc R U . . .
C137 C 0.4040(3) 0.6180(3) 0.2636(3) 0.072(2) Uani 1 1 d G U . . .
H137 H 0.446739 0.596525 0.249258 0.087 Uiso 1 1 calc R U . . .
C138 C 0.4146(3) 0.6753(3) 0.2767(3) 0.063(2) Uani 1 1 d G U . . .
C139 C 0.3521(3) 0.7067(2) 0.2977(3) 0.070(2) Uani 1 1 d G U . . .
H139 H 0.359293 0.745891 0.306625 0.084 Uiso 1 1 calc R U . . .
C140 C -0.0233(12) 0.3923(8) 0.2194(8) 0.142(8) Uani 1 1 d D . . . .
H14A H 0.021566 0.409083 0.247374 0.213 Uiso 1 1 calc R U . . .
H14B H -0.002597 0.363231 0.191972 0.213 Uiso 1 1 calc DR U . . .
H14C H -0.061498 0.375258 0.246308 0.213 Uiso 1 1 calc R U . . .
O7 O 0.6705(5) 0.4414(4) 0.3663(4) 0.080(2) Uani 1 1 d . . . . .
H7A H 0.695567 0.465686 0.390096 0.120 Uiso 1 1 calc R U . . .
O3 O 0.600380 0.487010 0.687900 0.092 Uani 1 1 d . . . . .
H3A H 0.648290 0.486530 0.705040 0.138 Uiso 1 1 d . U . . .
C141 C 0.6920(8) 0.4461(7) 0.3035(6) 0.086(3) Uani 1 1 d . . . . .
H14D H 0.647886 0.463690 0.275557 0.130 Uiso 1 1 calc R U . . .
H14E H 0.702738 0.408392 0.286803 0.130 Uiso 1 1 calc R U . . .
H14F H 0.740494 0.469411 0.303904 0.130 Uiso 1 1 calc R U . . .
C142 C 0.5677(8) 0.4313(6) 0.6878(8) 0.101(5) Uani 1 1 d . . . . .
H14G H 0.508893 0.433226 0.685234 0.151 Uiso 1 1 d R U . . .
H14H H 0.583413 0.409816 0.650784 0.151 Uiso 1 1 d R U . . .
H14I H 0.588853 0.412586 0.728214 0.151 Uiso 1 1 d R U . . .
C114 C 0.5194(7) 0.5723(6) -0.0429(8) 0.107(3) Uani 1 1 d D U . . .
H11G H 0.558016 0.583582 -0.072869 0.161 Uiso 1 1 calc R U . . .
H11H H 0.476864 0.600868 -0.043356 0.161 Uiso 1 1 calc R U . . .
H11I H 0.495600 0.535801 -0.056380 0.161 Uiso 1 1 calc R U . . .
O5 O 0.319590 0.518990 0.893070 0.151 Uani 1 1 d . . . . .
H5A H 0.311810 0.506920 0.931490 0.226 Uiso 1 1 d . U . . .
H5B H 0.271510 0.525770 0.874180 0.226 Uiso 1 1 d . U . . .
O6 O 0.524060 0.539350 0.779720 0.163 Uani 1 1 d . . . . .
H6A H 0.528690 0.538190 0.738350 0.244 Uiso 1 1 d . U . . .
H6B H 0.571730 0.549000 0.797440 0.244 Uiso 1 1 d . U . . .
O4 O 0.454760 0.467860 -0.142100 0.153 Uani 1 1 d . . . . .
H4A H 0.409540 0.477910 -0.163840 0.230 Uiso 1 1 d . U . . .
H4B H 0.455100 0.431170 -0.144890 0.230 Uiso 1 1 d . U . . .
O8 O 0.760060 0.602080 0.745330 0.137 Uani 1 1 d . . . . .
H8A H 0.770630 0.638080 0.746200 0.206 Uiso 1 1 d . U . . .
H8B H 0.762710 0.592350 0.785950 0.206 Uiso 1 1 d . U . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
F1 Dy1 N1 89.4(2) . . ?
F1 Dy1 F2 146.40(19) . . ?
F1 Dy1 N6 77.46(19) . . ?
F1 Dy1 N5 75.7(2) . . ?
F1 Dy1 N2 76.8(2) . . ?
F1 Dy1 N4 100.0(2) . . ?
F1 Dy1 N3 80.8(2) . . ?
F1 Dy1 O1 142.8(2) . . ?
N1 Dy1 N6 61.47(17) . . ?
N1 Dy1 N5 121.12(19) . . ?
N1 Dy1 N2 61.60(19) . . ?
N1 Dy1 N4 170.4(2) . . ?
F2 Dy1 N1 83.7(2) . . ?
F2 Dy1 N6 125.8(2) . . ?
F2 Dy1 N5 135.3(2) . . ?
F2 Dy1 N2 70.9(2) . . ?
F2 Dy1 N4 89.6(2) . . ?
F2 Dy1 N3 75.7(2) . . ?
F2 Dy1 O1 70.4(2) . . ?
N6 Dy1 N5 59.73(18) . . ?
N2 Dy1 N6 116.82(18) . . ?
N2 Dy1 N5 152.3(2) . . ?
N4 Dy1 N6 118.23(18) . . ?
N4 Dy1 N5 60.0(2) . . ?
N4 Dy1 N2 122.51(19) . . ?
N3 Dy1 N1 122.78(18) . . ?
N3 Dy1 N6 157.8(2) . . ?
N3 Dy1 N5 110.60(19) . . ?
N3 Dy1 N2 61.26(19) . . ?
N3 Dy1 N4 61.61(18) . . ?
O1 Dy1 N1 91.2(2) . . ?
O1 Dy1 N6 70.32(18) . . ?
O1 Dy1 N5 72.3(2) . . ?
O1 Dy1 N2 134.6(2) . . ?
O1 Dy1 N4 80.1(2) . . ?
O1 Dy1 N3 128.3(2) . . ?
F3 Dy2 F4 147.9(2) . . ?
F3 Dy2 N9 77.8(2) . . ?
F3 Dy2 N8 76.1(2) . . ?
F3 Dy2 O2 143.7(2) . . ?
F3 Dy2 N12 80.9(2) . . ?
F3 Dy2 N7 98.4(2) . . ?
F3 Dy2 N11 75.7(2) . . ?
F3 Dy2 N10 91.7(2) . . ?
F4 Dy2 N9 76.4(2) . . ?
F4 Dy2 N8 74.7(2) . . ?
F4 Dy2 O2 68.5(2) . . ?
F4 Dy2 N12 122.8(2) . . ?
F4 Dy2 N7 79.0(2) . . ?
F4 Dy2 N11 133.2(2) . . ?
F4 Dy2 N10 92.8(2) . . ?
N9 Dy2 N8 61.02(19) . . ?
N9 Dy2 N12 158.6(2) . . ?
N9 Dy2 N11 115.1(2) . . ?
O2 Dy2 N9 128.8(2) . . ?
O2 Dy2 N8 135.7(2) . . ?
O2 Dy2 N12 71.2(2) . . ?
O2 Dy2 N7 87.9(2) . . ?
O2 Dy2 N11 70.5(2) . . ?
O2 Dy2 N10 83.5(2) . . ?
N12 Dy2 N8 111.99(19) . . ?
N12 Dy2 N11 60.35(19) . . ?
N7 Dy2 N9 121.0(2) . . ?
N7 Dy2 N8 61.0(2) . . ?
N7 Dy2 N12 60.59(19) . . ?
N7 Dy2 N11 120.8(2) . . ?
N11 Dy2 N8 151.7(2) . . ?
N10 Dy2 N9 61.8(2) . . ?
N10 Dy2 N8 122.8(2) . . ?
N10 Dy2 N12 120.94(19) . . ?
N10 Dy2 N7 169.9(2) . . ?
N10 Dy2 N11 61.0(2) . . ?
C2 N1 Dy1 121.4(5) . . ?
C2 N1 C36 118.6(6) . . ?
C36 N1 Dy1 119.8(4) . . ?
C37 N9 Dy2 120.6(6) . . ?
C37 N9 C51 116.6(7) . . ?
C51 N9 Dy2 122.6(5) . . ?
C1 N6 Dy1 119.7(4) . . ?
C1 N6 C23 118.3(6) . . ?
C23 N6 Dy1 121.9(5) . . ?
C3 N8 Dy2 120.4(5) . . ?
C3 N8 C13 119.8(7) . . ?
C13 N8 Dy2 119.4(5) . . ?
Dy2 O2 H2A 127.7 . . ?
Dy2 O2 H2B 127.8 . . ?
H2A O2 H2B 104.5 . . ?
N6 C1 C2 116.0(6) . . ?
N6 C1 C6 123.9(6) . . ?
C6 C1 C2 120.1(7) . . ?
C8 N5 Dy1 120.8(5) . . ?
C8 N5 C60 120.8(6) . . ?
C60 N5 Dy1 118.3(5) . . ?
C31 N2 Dy1 120.9(5) . . ?
C31 N2 C93 115.7(6) . . ?
C93 N2 Dy1 123.2(5) . . ?
C25 N4 Dy1 121.2(5) . . ?
C25 N4 C39 120.3(6) . . ?
C39 N4 Dy1 117.5(5) . . ?
C5 N12 Dy2 119.6(5) . . ?
C11 N12 Dy2 122.2(5) . . ?
C11 N12 C5 118.2(7) . . ?
N1 C2 C1 120.7(7) . . ?
N1 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
N8 C3 H3 120.0 . . ?
N8 C3 C51 120.0(8) . . ?
C51 C3 H3 120.0 . . ?
C35 C4 B2 121.9(7) . . ?
C41 C4 C35 115.8(7) . . ?
C41 C4 B2 122.1(7) . . ?
C30 N7 Dy2 123.9(5) . . ?
C30 N7 C43 121.9(7) . . ?
C43 N7 Dy2 113.9(5) . . ?
N12 C5 C30 116.8(7) . . ?
N12 C5 C64 120.6(7) . . ?
C64 C5 C30 122.7(7) . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C29 119.9(7) . . ?
C29 C6 H6 120.0 . . ?
C14 C7 H7 119.1 . . ?
C14 C7 C48 121.7(8) . . ?
C48 C7 H7 119.1 . . ?
C49 N11 Dy2 121.3(5) . . ?
C49 N11 C74 117.8(7) . . ?
C74 N11 Dy2 120.9(5) . . ?
N5 C8 H8 120.1 . . ?
N5 C8 C23 119.9(7) . . ?
C23 C8 H8 120.1 . . ?
C12 C9 H9 119.8 . . ?
C54 C9 H9 119.8 . . ?
C54 C9 C12 120.3(7) . . ?
C33 N10 Dy2 121.3(5) . . ?
C33 N10 C40 119.0(6) . . ?
C40 N10 Dy2 119.6(5) . . ?
C24 C10 C42 114.7(7) . . ?
C24 C10 B2 123.2(7) . . ?
C42 C10 B2 121.4(6) . . ?
N12 C11 C49 117.8(7) . . ?
N12 C11 C58 123.5(7) . . ?
C58 C11 C49 118.6(7) . . ?
C9 C12 H12 119.3 . . ?
C27 C12 C9 121.4(8) . . ?
C27 C12 H12 119.3 . . ?
N8 C13 H13 108.5 . . ?
N8 C13 C43 103.8(7) . . ?
N8 C13 C118 114.5(6) . . ?
C43 C13 H13 108.5 . . ?
C43 C13 C118 112.9(6) . . ?
C118 C13 H13 108.5 . . ?
C7 C14 C50 115.9(8) . . ?
C7 C14 B1 121.8(7) . . ?
C50 C14 B1 121.8(7) . . ?
C17 C15 H15 118.6 . . ?
C52 C15 H15 118.6 . . ?
C52 C15 C17 122.8(8) . . ?
C44 C16 H16 120.5 . . ?
C44 C16 C55 119.0(7) . . ?
C55 C16 H16 120.5 . . ?
C15 C17 C47 115.1(8) . . ?
C15 C17 B1 121.9(7) . . ?
C47 C17 B1 121.9(7) . . ?
C19 C18 H18 120.2 . . ?
C19 C18 C54 119.6(8) . . ?
C54 C18 H18 120.2 . . ?
C18 C19 H19 118.3 . . ?
C27 C19 C18 123.5(7) . . ?
C27 C19 H19 118.3 . . ?
C46 C20 C36 120.3(9) . . ?
C46 C20 C94 120.6(9) . . ?
C94 C20 C36 119.1(10) . . ?
C59 C21 B2 122.9(7) . . ?
C70 C21 B2 121.4(7) . . ?
C70 C21 C59 115.2(7) . . ?
C44 C22 H22 120.6 . . ?
C67 C22 H22 120.6 . . ?
C67 C22 C44 118.7(7) . . ?
N6 C23 C8 117.7(7) . . ?
N6 C23 C38 122.2(7) . . ?
C38 C23 C8 120.0(7) . . ?
C10 C24 H24 118.8 . . ?
C10 C24 C77 122.3(8) . . ?
C77 C24 H24 118.8 . . ?
C55 N3 Dy1 122.5(4) . . ?
C67 N3 Dy1 121.8(5) . . ?
C67 N3 C55 115.6(6) . . ?
N4 C25 H25 119.7 . . ?
N4 C25 C55 120.5(7) . . ?
C55 C25 H25 119.7 . . ?
Dy1 O1 H1A 100.7 . . ?
Dy1 O1 H1B 101.5 . . ?
H1A O1 H1B 104.5 . . ?
C37 C26 H26 119.5 . . ?
C80 C26 H26 119.5 . . ?
C80 C26 C37 121.1(7) . . ?
C12 C27 B2 119.5(7) . . ?
C19 C27 C12 116.9(7) . . ?
C19 C27 B2 122.9(6) . . ?
C61 C28 B1 120.7(7) . . ?
C61 C28 C81 116.1(7) . . ?
C81 C28 B1 122.5(7) . . ?
C6 C29 H29 122.0 . . ?
C6 C29 C38 116.1(7) . . ?
C38 C29 H29 122.0 . . ?
N7 C30 C5 119.2(7) . . ?
N7 C30 H30 120.4 . . ?
C5 C30 H30 120.4 . . ?
N2 C31 H31 120.3 . . ?
N2 C31 C67 119.4(6) . . ?
C67 C31 H31 120.3 . . ?
C52 C32 H32 120.4 . . ?
C76 C32 H32 120.4 . . ?
C76 C32 C52 119.2(10) . . ?
N10 C33 H33 120.2 . . ?
N10 C33 C37 119.6(7) . . ?
C37 C33 H33 120.2 . . ?
C58 C34 H34 120.1 . . ?
C58 C34 C64 119.8(8) . . ?
C64 C34 H34 120.1 . . ?
C4 C35 H35 117.5 . . ?
C65 C35 C4 125.0(9) . . ?
C65 C35 H35 117.5 . . ?
N1 C36 C20 117.1(7) . . ?
N1 C36 H36 107.5 . . ?
N1 C36 C93 108.8(7) . . ?
C20 C36 H36 107.5 . . ?
C20 C36 C93 108.2(7) . . ?
C93 C36 H36 107.5 . . ?
N9 C37 C26 122.3(8) . . ?
N9 C37 C33 116.3(7) . . ?
C26 C37 C33 121.2(7) . . ?
C23 C38 C29 119.1(7) . . ?
C23 C38 H38 120.5 . . ?
C29 C38 H38 120.5 . . ?
N4 C39 H39 108.2 . . ?
N4 C39 C60 102.8(7) . . ?
N4 C39 C68 113.5(6) . . ?
C60 C39 H39 108.2 . . ?
C68 C39 H39 108.2 . . ?
C68 C39 C60 115.6(7) . . ?
N10 C40 H40 106.2 . . ?
N10 C40 C53 118.7(7) . . ?
N10 C40 C74 105.9(7) . . ?
C53 C40 H40 106.2 . . ?
C53 C40 C74 112.8(7) . . ?
C74 C40 H40 106.2 . . ?
C4 C41 H41 119.1 . . ?
C4 C41 C95 121.8(9) . . ?
C95 C41 H41 119.1 . . ?
C10 C42 H42 118.9 . . ?
C63 C42 C10 122.2(8) . . ?
C63 C42 H42 118.9 . . ?
N7 C43 C13 104.4(6) . . ?
N7 C43 H43 107.4 . . ?
N7 C43 C78 114.1(7) . . ?
C13 C43 H43 107.4 . . ?
C13 C43 C78 115.6(7) . . ?
C78 C43 H43 107.4 . . ?
C16 C44 C22 118.4(7) . . ?
C16 C44 H44 120.8 . . ?
C22 C44 H44 120.8 . . ?
C73 C45 C60 119.0(10) . . ?
C88 C45 C60 120.7(9) . . ?
C88 C45 C73 120.2(9) . . ?
C20 C46 H46 118.5 . . ?
C20 C46 C84 123.1(11) . . ?
C84 C46 H46 118.4 . . ?
C17 C47 H47 119.7 . . ?
C76 C47 C17 120.6(8) . . ?
C76 C47 H47 119.7 . . ?
C7 C48 H48 119.9 . . ?
C90 C48 C7 120.1(9) . . ?
C90 C48 H48 119.9 . . ?
N11 C49 C11 118.3(7) . . ?
N11 C49 H49 120.9 . . ?
C11 C49 H49 120.9 . . ?
C14 C50 H50 119.3 . . ?
C106 C50 C14 121.5(9) . . ?
C106 C50 H50 119.3 . . ?
N9 C51 C3 115.9(7) . . ?
N9 C51 C85 124.6(7) . . ?
C85 C51 C3 119.5(8) . . ?
C15 C52 H52 119.8 . . ?
C32 C52 C15 120.3(9) . . ?
C32 C52 H52 119.8 . . ?
C57 C53 C40 116.5(9) . . ?
C104 C53 C40 123.8(10) . . ?
C104 C53 C57 119.7(9) . . ?
C9 C54 C18 118.3(8) . . ?
C9 C54 H54 120.8 . . ?
C18 C54 H54 120.8 . . ?
C16 C55 C25 121.6(6) . . ?
N3 C55 C16 124.3(6) . . ?
N3 C55 C25 114.1(6) . . ?
C4 B2 C27 111.9(6) . . ?
C10 B2 C4 101.9(6) . . ?
C10 B2 C27 112.4(6) . . ?
C21 B2 C4 113.7(6) . . ?
C21 B2 C10 115.2(6) . . ?
C21 B2 C27 102.2(6) . . ?
C66 C56 H56 119.2 . . ?
C66 C56 C81 121.6(10) . . ?
C81 C56 H56 119.2 . . ?
C53 C57 H57 120.8 . . ?
C91 C57 C53 118.4(11) . . ?
C91 C57 H57 120.8 . . ?
C11 C58 H58 120.8 . . ?
C34 C58 C11 118.3(7) . . ?
C34 C58 H58 120.8 . . ?
C21 C59 H59 117.6 . . ?
C75 C59 C21 124.8(9) . . ?
C75 C59 H59 117.6 . . ?
N5 C60 C39 104.3(6) . . ?
N5 C60 C45 114.9(7) . . ?
N5 C60 H60 107.0 . . ?
C39 C60 H60 107.0 . . ?
C45 C60 C39 116.0(7) . . ?
C45 C60 H60 107.0 . . ?
C28 C61 H61 118.8 . . ?
C87 C61 C28 122.4(8) . . ?
C87 C61 H61 118.8 . . ?
C78 C62 H62 118.1 . . ?
C78 C62 C82 123.8(11) . . ?
C82 C62 H62 118.1 . . ?
C42 C63 H63 119.5 . . ?
C42 C63 C83 120.9(8) . . ?
C83 C63 H63 119.5 . . ?
C5 C64 H64 120.2 . . ?
C34 C64 C5 119.5(7) . . ?
C34 C64 H64 120.2 . . ?
C35 C65 H65 120.8 . . ?
C35 C65 C92 118.4(9) . . ?
C92 C65 H65 120.8 . . ?
C56 C66 H66 120.2 . . ?
C56 C66 C87 119.7(9) . . ?
C87 C66 H66 120.2 . . ?
C22 C67 C31 120.3(6) . . ?
N3 C67 C22 123.8(7) . . ?
N3 C67 C31 115.7(6) . . ?
C14 B1 C138 104.7(6) . . ?
C17 B1 C14 113.1(6) . . ?
C17 B1 C28 102.8(6) . . ?
C17 B1 C138 111.1(6) . . ?
C28 B1 C14 112.2(6) . . ?
C28 B1 C138 113.1(6) . . ?
C72 C68 C39 123.3(9) . . ?
C72 C68 C98 119.8(8) . . ?
C98 C68 C39 116.8(9) . . ?
C78 C69 C101 122.9(9) . . ?
C128 C69 C78 115.5(10) . . ?
C128 C69 C101 121.6(11) . . ?
C21 C70 H70 119.6 . . ?
C21 C70 C71 120.8(9) . . ?
C71 C70 H70 119.6 . . ?
C70 C71 H71 120.5 . . ?
C86 C71 C70 119.1(9) . . ?
C86 C71 H71 120.5 . . ?
C68 C72 H72 119.5 . . ?
C89 C72 C68 121.0(11) . . ?
C89 C72 H72 119.5 . . ?
C45 C73 H73 119.1 . . ?
C99 C73 C45 121.8(14) . . ?
C99 C73 H73 119.1 . . ?
N11 C74 C40 107.1(7) . . ?
N11 C74 H74 106.9 . . ?
N11 C74 C96 116.4(8) . . ?
C40 C74 H74 106.9 . . ?
C40 C74 C96 112.3(8) . . ?
C96 C74 H74 106.9 . . ?
C59 C75 H75 120.4 . . ?
C86 C75 C59 119.3(11) . . ?
C86 C75 H75 120.4 . . ?
C32 C76 C47 121.9(9) . . ?
C32 C76 H76 119.1 . . ?
C47 C76 H76 119.1 . . ?
C24 C77 H77 119.6 . . ?
C83 C77 C24 120.9(8) . . ?
C83 C77 H77 119.6 . . ?
C62 C78 C43 123.1(9) . . ?
C62 C78 C69 120.6(8) . . ?
C69 C78 C43 116.3(8) . . ?
C84 C79 H79 117.2 . . ?
C84 C79 C103 125.7(11) . . ?
C103 C79 H79 117.2 . . ?
C26 C80 H80 121.4 . . ?
C26 C80 C85 117.2(8) . . ?
C85 C80 H80 121.4 . . ?
C28 C81 H81 119.4 . . ?
C56 C81 C28 121.2(9) . . ?
C56 C81 H81 119.4 . . ?
C62 C82 H82 121.7 . . ?
C100 C82 C62 116.5(10) . . ?
C100 C82 H82 121.7 . . ?
C63 C83 H83 120.6 . . ?
C77 C83 C63 118.9(8) . . ?
C77 C83 H83 120.6 . . ?
C46 C84 H84 122.9 . . ?
C79 C84 C46 114.3(12) . . ?
C79 C84 H84 122.9 . . ?
C51 C85 H85 121.0 . . ?
C80 C85 C51 118.1(8) . . ?
C80 C85 H85 121.0 . . ?
C71 C86 H86 119.6 . . ?
C75 C86 C71 120.8(9) . . ?
C75 C86 H86 119.6 . . ?
C61 C87 C66 118.9(9) . . ?
C61 C87 H87 120.6 . . ?
C66 C87 H87 120.6 . . ?
C45 C88 C112 119.7(11) . . ?
C45 C88 C132 121.2(8) . . ?
C112 C88 C132 119.1(11) . . ?
C72 C89 H89 119.7 . . ?
C97 C89 C72 120.6(12) . . ?
C97 C89 H89 119.7 . . ?
C48 C90 H90 120.6 . . ?
C48 C90 C106 118.9(9) . . ?
C106 C90 H90 120.6 . . ?
C57 C91 H91 120.3 . . ?
C57 C91 C108 119.3(13) . . ?
C108 C91 H91 120.3 . . ?
C65 C92 H92 119.9 . . ?
C65 C92 C95 120.2(9) . . ?
C95 C92 H92 119.9 . . ?
N2 C93 C36 108.4(7) . . ?
N2 C93 H93 111.4 . . ?
N2 C93 C122 109.2(9) . . ?
C36 C93 H93 111.4 . . ?
C36 C93 C122 104.9(10) . . ?
C122 C93 H93 111.4 . . ?
C20 C94 C103 115.8(13) . . ?
C20 C94 C127 126.7(10) . . ?
C103 C94 C127 117.4(11) . . ?
C41 C95 C92 118.7(10) . . ?
C41 C95 H95 120.6 . . ?
C92 C95 H95 120.6 . . ?
C107 C96 C74 121.2(15) . . ?
C107 C96 C109 121.5(13) . . ?
C109 C96 C74 117.3(11) . . ?
C89 C97 H97 119.8 . . ?
C89 C97 C129 120.5(10) . . ?
C129 C97 H97 119.8 . . ?
C68 C98 C113 122.9(9) . . ?
C129 C98 C68 117.8(12) . . ?
C129 C98 C113 119.1(13) . . ?
C73 C99 H99 121.5 . . ?
C73 C99 C102 117.0(13) . . ?
C102 C99 H99 121.5 . . ?
C82 C100 H100 118.9 . . ?
C82 C100 C128 122.2(9) . . ?
C128 C100 H100 118.9 . . ?
C69 C101 H10A 109.5 . . ?
C69 C101 H10B 109.5 . . ?
C69 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C99 C102 H102 118.8 . . ?
C112 C102 C99 122.3(10) . . ?
C112 C102 H102 118.9 . . ?
C79 C103 C94 120.4(12) . . ?
C79 C103 H103 119.8 . . ?
C94 C103 H103 119.8 . . ?
C53 C104 C131 121.2(14) . . ?
C53 C104 C140 123.3(12) . . ?
C131 C104 C140 115.2(14) . . ?
C107 C105 H105 120.3 . . ?
C111 C105 H105 120.3 . . ?
C111 C105 C107 119.4(15) . . ?
C50 C106 C90 121.8(9) . . ?
C50 C106 H106 119.1 . . ?
C90 C106 H106 119.1 . . ?
C96 C107 C105 116.6(16) . . ?
C96 C107 C110 121.3(12) . . ?
C110 C107 C105 122.1(14) . . ?
C91 C108 H108 119.6 . . ?
C131 C108 C91 120.9(11) . . ?
C131 C108 H108 119.6 . . ?
C96 C109 H109 120.4 . . ?
C130 C109 C96 119.1(15) . . ?
C130 C109 H109 120.4 . . ?
C107 C110 H11D 109.5 . . ?
C107 C110 H11E 109.5 . . ?
C107 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C105 C111 H111 118.1 . . ?
C105 C111 C130 123.8(15) . . ?
C130 C111 H111 118.1 . . ?
C88 C112 H112 120.5 . . ?
C102 C112 C88 119.0(13) . . ?
C102 C112 H112 120.5 . . ?
C98 C113 H11A 109.5 . . ?
C98 C113 H11B 109.5 . . ?
C98 C113 H11C 109.5 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C120 120.0 . . ?
C120 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C117 120.0 . . ?
C117 C116 H116 120.0 . . ?
C118 C117 C116 120.0 . . ?
C114 C117 C116 119.2(7) . . ?
C114 C117 C118 120.4(7) . . ?
C117 C118 C13 121.2(6) . . ?
C117 C118 C119 120.0 . . ?
C119 C118 C13 118.5(6) . . ?
C118 C119 H119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C120 C119 H119 120.0 . . ?
C115 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C119 C120 H120 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 C133 126.1(7) . . ?
C126 C121 C133 113.8(7) . . ?
C121 C122 C93 116.3(9) . . ?
C121 C122 C123 120.0 . . ?
C123 C122 C93 123.5(9) . . ?
C122 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C124 C123 H123 120.0 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C94 C127 H12A 109.6 . . ?
C94 C127 H12B 109.2 . . ?
C94 C127 H12C 109.6 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C69 C128 H128 119.5 . . ?
C100 C128 C69 121.1(11) . . ?
C100 C128 H128 119.5 . . ?
C97 C129 C98 120.2(13) . . ?
C97 C129 H129 119.9 . . ?
C98 C129 H129 119.9 . . ?
C109 C130 C111 119.2(18) . . ?
C109 C130 H130 120.4 . . ?
C111 C130 H130 120.4 . . ?
C104 C131 H131 119.9 . . ?
C108 C131 C104 120.2(15) . . ?
C108 C131 H131 119.9 . . ?
C88 C132 H13A 109.5 . . ?
C88 C132 H13B 109.5 . . ?
C88 C132 H13C 109.5 . . ?
H13A C132 H13B 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C121 C133 H13D 110.2 . . ?
C121 C133 H13E 107.5 . . ?
C121 C133 H13F 110.7 . . ?
H13D C133 H13E 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C135 C134 H134 120.0 . . ?
C135 C134 C139 120.0 . . ?
C139 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C138 C137 H137 120.0 . . ?
C137 C138 B1 123.1(5) . . ?
C137 C138 C139 120.0 . . ?
C139 C138 B1 116.6(5) . . ?
C134 C139 H139 120.0 . . ?
C138 C139 C134 120.0 . . ?
C138 C139 H139 120.0 . . ?
C104 C140 H14A 109.5 . . ?
C104 C140 H14B 109.5 . . ?
C104 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C141 O7 H7A 109.5 . . ?
C142 O3 H3A 109.6 . . ?
O7 C141 H14D 109.5 . . ?
O7 C141 H14E 109.5 . . ?
O7 C141 H14F 109.5 . . ?
H14D C141 H14E 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
O3 C142 H14G 109.8 . . ?
O3 C142 H14H 110.3 . . ?
O3 C142 H14I 108.3 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C117 C114 H11G 109.5 . . ?
C117 C114 H11H 109.5 . . ?
C117 C114 H11I 109.5 . . ?
H11G C114 H11H 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
H5A O5 H5B 104.5 . . ?
H6A O6 H6B 104.4 . . ?
H4A O4 H4B 104.5 . . ?
H8A O8 H8B 104.5 . . ?
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
Dy1 F1 2.161(5) . ?
Dy1 N1 2.616(6) . ?
Dy1 F2 2.204(5) . ?
Dy1 N6 2.674(6) . ?
Dy1 N5 2.742(6) . ?
Dy1 N2 2.642(6) . ?
Dy1 N4 2.623(6) . ?
Dy1 N3 2.576(6) . ?
Dy1 O1 2.359(6) . ?
Dy2 F3 2.148(6) . ?
Dy2 F4 2.164(5) . ?
Dy2 N9 2.612(8) . ?
Dy2 N8 2.702(7) . ?
Dy2 O2 2.416(7) . ?
Dy2 N12 2.661(6) . ?
Dy2 N7 2.613(6) . ?
Dy2 N11 2.676(7) . ?
Dy2 N10 2.600(6) . ?
N1 C2 1.265(9) . ?
N1 C36 1.469(9) . ?
N9 C37 1.342(10) . ?
N9 C51 1.356(11) . ?
N6 C1 1.321(9) . ?
N6 C23 1.350(9) . ?
N8 C3 1.268(10) . ?
N8 C13 1.475(9) . ?
O2 H2A 0.8716 . ?
O2 H2B 0.8713 . ?
C1 C2 1.478(10) . ?
C1 C6 1.369(11) . ?
N5 C8 1.278(11) . ?
N5 C60 1.494(9) . ?
N2 C31 1.244(10) . ?
N2 C93 1.499(11) . ?
N4 C25 1.256(10) . ?
N4 C39 1.489(9) . ?
N12 C5 1.354(9) . ?
N12 C11 1.313(10) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C3 C51 1.469(11) . ?
C4 C35 1.403(10) . ?
C4 C41 1.388(11) . ?
C4 B2 1.662(10) . ?
N7 C30 1.254(10) . ?
N7 C43 1.493(9) . ?
C5 C30 1.437(11) . ?
C5 C64 1.416(12) . ?
C6 H6 0.9500 . ?
C6 C29 1.394(10) . ?
C7 H7 0.9500 . ?
C7 C14 1.389(11) . ?
C7 C48 1.412(12) . ?
N11 C49 1.315(10) . ?
N11 C74 1.476(9) . ?
C8 H8 0.9500 . ?
C8 C23 1.433(11) . ?
C9 H9 0.9500 . ?
C9 C12 1.406(12) . ?
C9 C54 1.391(13) . ?
N10 C33 1.291(10) . ?
N10 C40 1.481(10) . ?
C10 C24 1.394(10) . ?
C10 C42 1.429(11) . ?
C10 B2 1.635(11) . ?
C11 C49 1.448(10) . ?
C11 C58 1.417(11) . ?
C12 H12 0.9500 . ?
C12 C27 1.392(10) . ?
C13 H13 1.0000 . ?
C13 C43 1.525(13) . ?
C13 C118 1.558(9) . ?
C14 C50 1.422(11) . ?
C14 B1 1.651(12) . ?
C15 H15 0.9500 . ?
C15 C17 1.408(11) . ?
C15 C52 1.373(12) . ?
C16 H16 0.9500 . ?
C16 C44 1.363(11) . ?
C16 C55 1.385(11) . ?
C17 C47 1.408(11) . ?
C17 B1 1.644(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(11) . ?
C18 C54 1.398(12) . ?
C19 H19 0.9500 . ?
C19 C27 1.369(11) . ?
C20 C36 1.512(11) . ?
C20 C46 1.365(14) . ?
C20 C94 1.406(15) . ?
C21 B2 1.620(10) . ?
C21 C59 1.408(11) . ?
C21 C70 1.391(11) . ?
C22 H22 0.9500 . ?
C22 C44 1.399(11) . ?
C22 C67 1.396(10) . ?
C23 C38 1.382(11) . ?
C24 H24 0.9500 . ?
C24 C77 1.388(11) . ?
N3 C55 1.360(9) . ?
N3 C67 1.337(9) . ?
C25 H25 0.9500 . ?
C25 C55 1.466(10) . ?
O1 H1A 0.8701 . ?
O1 H1B 0.8699 . ?
C26 H26 0.9500 . ?
C26 C37 1.397(11) . ?
C26 C80 1.392(12) . ?
C27 B2 1.666(11) . ?
C28 C61 1.400(11) . ?
C28 B1 1.648(10) . ?
C28 C81 1.402(11) . ?
C29 H29 0.9500 . ?
C29 C38 1.436(10) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C67 1.465(10) . ?
C32 H32 0.9500 . ?
C32 C52 1.358(14) . ?
C32 C76 1.356(15) . ?
C33 H33 0.9500 . ?
C33 C37 1.441(11) . ?
C34 H34 0.9500 . ?
C34 C58 1.341(11) . ?
C34 C64 1.370(12) . ?
C35 H35 0.9500 . ?
C35 C65 1.362(12) . ?
C36 H36 1.0000 . ?
C36 C93 1.548(13) . ?
C38 H38 0.9500 . ?
C39 H39 1.0000 . ?
C39 C60 1.529(14) . ?
C39 C68 1.519(11) . ?
C40 H40 1.0000 . ?
C40 C53 1.532(10) . ?
C40 C74 1.533(12) . ?
C41 H41 0.9500 . ?
C41 C95 1.412(13) . ?
C42 H42 0.9500 . ?
C42 C63 1.351(12) . ?
C43 H43 1.0000 . ?
C43 C78 1.535(10) . ?
C44 H44 0.9500 . ?
C45 C60 1.528(10) . ?
C45 C73 1.398(15) . ?
C45 C88 1.375(16) . ?
C46 H46 0.9500 . ?
C46 C84 1.426(13) . ?
C47 H47 0.9500 . ?
C47 C76 1.389(13) . ?
C48 H48 0.9500 . ?
C48 C90 1.362(14) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C50 C106 1.355(14) . ?
C51 C85 1.403(12) . ?
C52 H52 0.9500 . ?
C53 C57 1.408(15) . ?
C53 C104 1.348(15) . ?
C54 H54 0.9500 . ?
C56 H56 0.9500 . ?
C56 C66 1.332(16) . ?
C56 C81 1.390(12) . ?
C57 H57 0.9500 . ?
C57 C91 1.387(13) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C59 C75 1.391(12) . ?
C60 H60 1.0000 . ?
C61 H61 0.9500 . ?
C61 C87 1.382(11) . ?
C62 H62 0.9500 . ?
C62 C78 1.360(13) . ?
C62 C82 1.374(13) . ?
C63 H63 0.9500 . ?
C63 C83 1.389(13) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C65 C92 1.381(16) . ?
C66 H66 0.9500 . ?
C66 C87 1.411(15) . ?
B1 C138 1.687(9) . ?
C68 C72 1.396(13) . ?
C68 C98 1.418(15) . ?
C69 C78 1.431(14) . ?
C69 C101 1.447(17) . ?
C69 C128 1.405(13) . ?
C70 H70 0.9500 . ?
C70 C71 1.435(13) . ?
C71 H71 0.9500 . ?
C71 C86 1.423(18) . ?
C72 H72 0.9500 . ?
C72 C89 1.360(13) . ?
C73 H73 0.9500 . ?
C73 C99 1.374(14) . ?
C74 H74 1.0000 . ?
C74 C96 1.552(14) . ?
C75 H75 0.9500 . ?
C75 C86 1.316(18) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C77 C83 1.350(13) . ?
C79 H79 0.9500 . ?
C79 C84 1.33(2) . ?
C79 C103 1.36(2) . ?
C80 H80 0.9500 . ?
C80 C85 1.398(12) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C82 C100 1.375(16) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C112 1.412(13) . ?
C88 C132 1.493(15) . ?
C89 H89 0.9500 . ?
C89 C97 1.363(19) . ?
C90 H90 0.9500 . ?
C90 C106 1.382(15) . ?
C91 H91 0.9500 . ?
C91 C108 1.39(2) . ?
C92 H92 0.9500 . ?
C92 C95 1.418(16) . ?
C93 H93 1.0000 . ?
C93 C122 1.581(15) . ?
C94 C103 1.417(17) . ?
C94 C127 1.447(18) . ?
C95 H95 0.9500 . ?
C96 C107 1.39(2) . ?
C96 C109 1.42(2) . ?
C97 H97 0.9500 . ?
C97 C129 1.40(2) . ?
C98 C113 1.504(18) . ?
C98 C129 1.407(14) . ?
C99 H99 0.9500 . ?
C99 C102 1.42(2) . ?
C100 H100 0.9500 . ?
C100 C128 1.392(16) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H102 0.9500 . ?
C102 C112 1.37(2) . ?
C103 H103 0.9500 . ?
C104 C131 1.367(17) . ?
C104 C140 1.380(18) . ?
C105 H105 0.9500 . ?
C105 C107 1.460(18) . ?
C105 C111 1.32(2) . ?
C106 H106 0.9500 . ?
C107 C110 1.42(2) . ?
C108 H108 0.9500 . ?
C108 C131 1.33(2) . ?
C109 H109 0.9500 . ?
C109 C130 1.359(18) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H111 0.9500 . ?
C111 C130 1.40(2) . ?
C112 H112 0.9500 . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C115 H115 0.9500 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 H116 0.9500 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C117 C114 1.318(15) . ?
C118 C119 1.3900 . ?
C119 H119 0.9500 . ?
C119 C120 1.3900 . ?
C120 H120 0.9500 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C121 C133 1.409(10) . ?
C122 C123 1.3900 . ?
C123 H123 0.9500 . ?
C123 C124 1.3900 . ?
C124 H124 0.9500 . ?
C124 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C126 1.3900 . ?
C126 H126 0.9500 . ?
C127 H12A 0.9799 . ?
C127 H12B 0.9801 . ?
C127 H12C 0.9800 . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C133 H13D 0.9802 . ?
C133 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C134 H134 0.9500 . ?
C134 C135 1.3900 . ?
C134 C139 1.3900 . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 H136 0.9500 . ?
C136 C137 1.3900 . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C138 C139 1.3900 . ?
C139 H139 0.9500 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
O7 H7A 0.8400 . ?
O7 C141 1.393(13) . ?
O3 H3A 0.8400 . ?
O3 C142 1.427(13) . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 H14G 0.9799 . ?
C142 H14H 0.9801 . ?
C142 H14I 0.9797 . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
O5 H5A 0.8696 . ?
O5 H5B 0.8697 . ?
O6 H6A 0.8705 . ?
O6 H6B 0.8707 . ?
O4 H4A 0.8700 . ?
O4 H4B 0.8704 . ?
O8 H8A 0.8700 . ?
O8 H8B 0.8701 . ?
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
Dy1 N1 C2 C1 7.2(10) . . . . ?
Dy1 N1 C36 C20 -171.5(6) . . . . ?
Dy1 N1 C36 C93 -48.5(10) . . . . ?
Dy1 N6 C1 C2 -7.1(9) . . . . ?
Dy1 N6 C1 C6 173.7(6) . . . . ?
Dy1 N6 C23 C8 -0.5(10) . . . . ?
Dy1 N6 C23 C38 -176.1(7) . . . . ?
Dy1 N5 C8 C23 3.1(11) . . . . ?
Dy1 N5 C60 C39 -41.4(7) . . . . ?
Dy1 N5 C60 C45 -169.6(7) . . . . ?
Dy1 N2 C31 C67 6.8(12) . . . . ?
Dy1 N2 C93 C36 -22.0(14) . . . . ?
Dy1 N2 C93 C122 -135.8(7) . . . . ?
Dy1 N4 C25 C55 -0.9(12) . . . . ?
Dy1 N4 C39 C60 -62.2(7) . . . . ?
Dy1 N4 C39 C68 172.3(6) . . . . ?
Dy1 N3 C55 C16 -178.6(7) . . . . ?
Dy1 N3 C55 C25 2.3(10) . . . . ?
Dy1 N3 C67 C22 176.2(6) . . . . ?
Dy1 N3 C67 C31 -8.5(10) . . . . ?
Dy2 N9 C37 C26 179.0(6) . . . . ?
Dy2 N9 C37 C33 -5.6(10) . . . . ?
Dy2 N9 C51 C3 1.1(11) . . . . ?
Dy2 N9 C51 C85 -177.7(7) . . . . ?
Dy2 N8 C3 C51 -0.6(12) . . . . ?
Dy2 N8 C13 C43 -37.5(8) . . . . ?
Dy2 N8 C13 C118 -161.0(6) . . . . ?
Dy2 N12 C5 C30 0.9(10) . . . . ?
Dy2 N12 C5 C64 -178.6(6) . . . . ?
Dy2 N12 C11 C49 -1.8(11) . . . . ?
Dy2 N12 C11 C58 -179.5(6) . . . . ?
Dy2 N7 C30 C5 -1.3(12) . . . . ?
Dy2 N7 C43 C13 -63.9(7) . . . . ?
Dy2 N7 C43 C78 169.0(6) . . . . ?
Dy2 N11 C49 C11 1.1(11) . . . . ?
Dy2 N11 C74 C40 -34.4(10) . . . . ?
Dy2 N11 C74 C96 -160.9(8) . . . . ?
Dy2 N10 C33 C37 3.2(11) . . . . ?
Dy2 N10 C40 C53 179.2(7) . . . . ?
Dy2 N10 C40 C74 -52.8(9) . . . . ?
N1 C36 C93 N2 42.2(13) . . . . ?
N1 C36 C93 C122 158.8(8) . . . . ?
N9 C51 C85 C80 -0.7(14) . . . . ?
N6 C1 C2 N1 0.1(11) . . . . ?
N6 C1 C6 C29 0.2(13) . . . . ?
N6 C23 C38 C29 4.3(14) . . . . ?
N8 C3 C51 N9 -0.3(14) . . . . ?
N8 C3 C51 C85 178.6(9) . . . . ?
N8 C13 C43 N7 62.5(7) . . . . ?
N8 C13 C43 C78 -171.4(7) . . . . ?
N8 C13 C118 C117 -104.7(8) . . . . ?
N8 C13 C118 C119 81.0(8) . . . . ?
C1 N6 C23 C8 176.8(8) . . . . ?
C1 N6 C23 C38 1.3(12) . . . . ?
C1 C6 C29 C38 5.3(12) . . . . ?
N5 C8 C23 N6 -1.7(13) . . . . ?
N5 C8 C23 C38 173.9(9) . . . . ?
N2 C31 C67 C22 176.4(8) . . . . ?
N2 C31 C67 N3 0.9(12) . . . . ?
N2 C93 C122 C121 -126.0(8) . . . . ?
N2 C93 C122 C123 58.0(10) . . . . ?
N4 C25 C55 C16 -180.0(9) . . . . ?
N4 C25 C55 N3 -0.9(12) . . . . ?
N4 C39 C60 N5 62.5(7) . . . . ?
N4 C39 C60 C45 -170.1(7) . . . . ?
N4 C39 C68 C72 93.6(10) . . . . ?
N4 C39 C68 C98 -85.8(10) . . . . ?
N12 C5 C30 N7 0.2(13) . . . . ?
N12 C5 C64 C34 -3.0(14) . . . . ?
N12 C11 C49 N11 0.5(13) . . . . ?
N12 C11 C58 C34 -0.9(13) . . . . ?
C2 N1 C36 C20 14.0(12) . . . . ?
C2 N1 C36 C93 137.0(9) . . . . ?
C2 C1 C6 C29 -179.0(8) . . . . ?
C3 N8 C13 C43 135.2(9) . . . . ?
C3 N8 C13 C118 11.7(12) . . . . ?
C3 C51 C85 C80 -179.5(9) . . . . ?
C4 C35 C65 C92 2.0(14) . . . . ?
C4 C41 C95 C92 -2.2(15) . . . . ?
N7 C43 C78 C62 92.2(10) . . . . ?
N7 C43 C78 C69 -89.2(9) . . . . ?
C5 N12 C11 C49 177.1(8) . . . . ?
C5 N12 C11 C58 -0.6(12) . . . . ?
C6 C1 C2 N1 179.3(8) . . . . ?
C6 C29 C38 C23 -7.4(13) . . . . ?
C7 C14 C50 C106 1.5(13) . . . . ?
C7 C14 B1 C17 149.9(7) . . . . ?
C7 C14 B1 C28 34.1(9) . . . . ?
C7 C14 B1 C138 -89.0(8) . . . . ?
C7 C48 C90 C106 1.3(13) . . . . ?
N11 C74 C96 C107 -107.6(11) . . . . ?
N11 C74 C96 C109 69.9(12) . . . . ?
C8 N5 C60 C39 135.0(8) . . . . ?
C8 N5 C60 C45 6.8(12) . . . . ?
C8 C23 C38 C29 -171.1(8) . . . . ?
C9 C12 C27 C19 -0.6(10) . . . . ?
C9 C12 C27 B2 169.9(6) . . . . ?
N10 C33 C37 N9 1.6(12) . . . . ?
N10 C33 C37 C26 177.1(8) . . . . ?
N10 C40 C53 C57 74.4(11) . . . . ?
N10 C40 C53 C104 -107.5(13) . . . . ?
N10 C40 C74 N11 52.2(10) . . . . ?
N10 C40 C74 C96 -178.8(9) . . . . ?
C10 C24 C77 C83 2.2(12) . . . . ?
C10 C42 C63 C83 0.0(12) . . . . ?
C11 N12 C5 C30 -178.0(8) . . . . ?
C11 N12 C5 C64 2.6(12) . . . . ?
C12 C9 C54 C18 -1.2(11) . . . . ?
C12 C27 B2 C4 153.1(6) . . . . ?
C12 C27 B2 C10 39.1(8) . . . . ?
C12 C27 B2 C21 -84.9(7) . . . . ?
C13 N8 C3 C51 -173.3(8) . . . . ?
C13 C43 C78 C62 -28.9(11) . . . . ?
C13 C43 C78 C69 149.8(8) . . . . ?
C13 C118 C119 C120 174.3(6) . . . . ?
C14 C7 C48 C90 -1.1(12) . . . . ?
C14 C50 C106 C90 -1.4(15) . . . . ?
C14 B1 C138 C137 89.0(6) . . . . ?
C14 B1 C138 C139 -84.3(6) . . . . ?
C15 C17 C47 C76 -0.7(11) . . . . ?
C15 C17 B1 C14 153.1(6) . . . . ?
C15 C17 B1 C28 -85.6(8) . . . . ?
C15 C17 B1 C138 35.7(9) . . . . ?
C17 C15 C52 C32 -3.8(12) . . . . ?
C17 C47 C76 C32 0.3(13) . . . . ?
C17 B1 C138 C137 -148.5(5) . . . . ?
C17 B1 C138 C139 38.1(7) . . . . ?
C18 C19 C27 C12 1.6(10) . . . . ?
C18 C19 C27 B2 -168.5(6) . . . . ?
C19 C18 C54 C9 2.1(11) . . . . ?
C19 C27 B2 C4 -37.1(9) . . . . ?
C19 C27 B2 C10 -151.0(6) . . . . ?
C19 C27 B2 C21 84.9(7) . . . . ?
C20 C36 C93 N2 170.4(9) . . . . ?
C20 C36 C93 C122 -73.1(11) . . . . ?
C20 C46 C84 C79 1.1(13) . . . . ?
C20 C94 C103 C79 -4.3(14) . . . . ?
C21 C59 C75 C86 1.2(16) . . . . ?
C21 C70 C71 C86 -0.1(15) . . . . ?
C23 N6 C1 C2 175.5(7) . . . . ?
C23 N6 C1 C6 -3.6(12) . . . . ?
C24 C10 C42 C63 -0.9(11) . . . . ?
C24 C10 B2 C4 89.5(7) . . . . ?
C24 C10 B2 C21 -34.1(9) . . . . ?
C24 C10 B2 C27 -150.6(6) . . . . ?
C24 C77 C83 C63 -3.0(13) . . . . ?
C25 N4 C39 C60 106.6(9) . . . . ?
C25 N4 C39 C68 -19.0(13) . . . . ?
C26 C80 C85 C51 3.1(14) . . . . ?
C28 C61 C87 C66 1.7(14) . . . . ?
C28 B1 C138 C137 -33.5(9) . . . . ?
C28 B1 C138 C139 153.1(5) . . . . ?
C30 N7 C43 C13 109.6(9) . . . . ?
C30 N7 C43 C78 -17.5(12) . . . . ?
C30 C5 C64 C34 177.5(9) . . . . ?
C31 N2 C93 C36 161.7(9) . . . . ?
C31 N2 C93 C122 47.9(13) . . . . ?
C33 N10 C40 C53 -2.9(13) . . . . ?
C33 N10 C40 C74 125.1(8) . . . . ?
C35 C4 C41 C95 2.6(12) . . . . ?
C35 C4 B2 C10 77.1(8) . . . . ?
C35 C4 B2 C21 -158.3(7) . . . . ?
C35 C4 B2 C27 -43.2(9) . . . . ?
C35 C65 C92 C95 -1.4(15) . . . . ?
C36 N1 C2 C1 -178.4(7) . . . . ?
C36 C20 C46 C84 176.6(7) . . . . ?
C36 C20 C94 C103 -175.1(8) . . . . ?
C36 C20 C94 C127 2.4(14) . . . . ?
C36 C93 C122 C121 118.0(8) . . . . ?
C36 C93 C122 C123 -58.1(10) . . . . ?
C37 N9 C51 C3 176.0(8) . . . . ?
C37 N9 C51 C85 -2.8(13) . . . . ?
C37 C26 C80 C85 -2.0(15) . . . . ?
C39 N4 C25 C55 -169.3(8) . . . . ?
C39 C68 C72 C89 -178.8(8) . . . . ?
C39 C68 C98 C113 3.3(14) . . . . ?
C39 C68 C98 C129 177.9(9) . . . . ?
C40 N10 C33 C37 -174.6(8) . . . . ?
C40 C53 C57 C91 178.1(8) . . . . ?
C40 C53 C104 C131 -179.1(14) . . . . ?
C40 C53 C104 C140 -6(2) . . . . ?
C40 C74 C96 C107 128.5(10) . . . . ?
C40 C74 C96 C109 -54.0(12) . . . . ?
C41 C4 C35 C65 -2.6(12) . . . . ?
C41 C4 B2 C10 -96.6(8) . . . . ?
C41 C4 B2 C21 27.9(10) . . . . ?
C41 C4 B2 C27 143.1(7) . . . . ?
C42 C10 C24 C77 -0.2(10) . . . . ?
C42 C10 B2 C4 -80.3(8) . . . . ?
C42 C10 B2 C21 156.2(7) . . . . ?
C42 C10 B2 C27 39.6(9) . . . . ?
C42 C63 C83 C77 1.9(13) . . . . ?
C43 N7 C30 C5 -174.3(8) . . . . ?
C43 C13 C118 C117 136.8(6) . . . . ?
C43 C13 C118 C119 -37.5(8) . . . . ?
C44 C16 C55 N3 4.5(14) . . . . ?
C44 C16 C55 C25 -176.5(8) . . . . ?
C44 C22 C67 N3 0.3(13) . . . . ?
C44 C22 C67 C31 -174.8(8) . . . . ?
C45 C73 C99 C102 -3.0(16) . . . . ?
C45 C88 C112 C102 0.0(16) . . . . ?
C46 C20 C36 N1 66.1(11) . . . . ?
C46 C20 C36 C93 -57.2(11) . . . . ?
C46 C20 C94 C103 3.3(12) . . . . ?
C46 C20 C94 C127 -179.1(10) . . . . ?
C47 C17 B1 C14 -39.1(9) . . . . ?
C47 C17 B1 C28 82.2(8) . . . . ?
C47 C17 B1 C138 -156.5(7) . . . . ?
C48 C7 C14 C50 -0.3(11) . . . . ?
C48 C7 C14 B1 172.1(7) . . . . ?
C48 C90 C106 C50 -0.1(15) . . . . ?
C49 N11 C74 C40 145.9(9) . . . . ?
C49 N11 C74 C96 19.4(14) . . . . ?
C49 C11 C58 C34 -178.6(8) . . . . ?
C50 C14 B1 C17 -38.2(9) . . . . ?
C50 C14 B1 C28 -153.9(7) . . . . ?
C50 C14 B1 C138 83.0(9) . . . . ?
C51 N9 C37 C26 4.0(12) . . . . ?
C51 N9 C37 C33 179.4(8) . . . . ?
C52 C15 C17 C47 2.4(10) . . . . ?
C52 C15 C17 B1 171.0(7) . . . . ?
C52 C32 C76 C47 -1.6(14) . . . . ?
C53 C40 C74 N11 -176.3(8) . . . . ?
C53 C40 C74 C96 -47.4(13) . . . . ?
C53 C57 C91 C108 -2.0(16) . . . . ?
C53 C104 C131 C108 4(3) . . . . ?
C54 C9 C12 C27 0.4(11) . . . . ?
C54 C18 C19 C27 -2.4(11) . . . . ?
C55 C16 C44 C22 -4.5(13) . . . . ?
C55 N3 C67 C22 -0.6(12) . . . . ?
C55 N3 C67 C31 174.7(7) . . . . ?
B2 C4 C35 C65 -176.7(8) . . . . ?
B2 C4 C41 C95 176.7(8) . . . . ?
B2 C10 C24 C77 -170.6(7) . . . . ?
B2 C10 C42 C63 169.7(7) . . . . ?
B2 C21 C59 C75 173.5(8) . . . . ?
B2 C21 C70 C71 -174.1(8) . . . . ?
C56 C66 C87 C61 -3.4(15) . . . . ?
C57 C53 C104 C131 -1(2) . . . . ?
C57 C53 C104 C140 172.0(15) . . . . ?
C57 C91 C108 C131 5(2) . . . . ?
C58 C11 C49 N11 178.2(8) . . . . ?
C58 C34 C64 C5 1.5(14) . . . . ?
C59 C21 B2 C4 33.3(10) . . . . ?
C59 C21 B2 C10 150.4(8) . . . . ?
C59 C21 B2 C27 -87.4(8) . . . . ?
C59 C21 C70 C71 -1.3(12) . . . . ?
C59 C75 C86 C71 -2.7(17) . . . . ?
C60 N5 C8 C23 -173.2(8) . . . . ?
C60 C39 C68 C72 -24.8(10) . . . . ?
C60 C39 C68 C98 155.9(8) . . . . ?
C60 C45 C73 C99 178.2(9) . . . . ?
C60 C45 C88 C112 -176.5(9) . . . . ?
C60 C45 C88 C132 0.1(14) . . . . ?
C61 C28 B1 C14 41.2(10) . . . . ?
C61 C28 B1 C17 -80.7(9) . . . . ?
C61 C28 B1 C138 159.4(7) . . . . ?
C61 C28 C81 C56 -2.6(12) . . . . ?
C62 C82 C100 C128 -3.5(15) . . . . ?
C64 C5 C30 N7 179.7(9) . . . . ?
C64 C34 C58 C11 0.4(14) . . . . ?
C65 C92 C95 C41 1.6(15) . . . . ?
C66 C56 C81 C28 0.9(14) . . . . ?
C67 C22 C44 C16 2.3(13) . . . . ?
C67 N3 C55 C16 -1.8(12) . . . . ?
C67 N3 C55 C25 179.1(7) . . . . ?
B1 C14 C50 C106 -170.9(8) . . . . ?
B1 C17 C47 C76 -169.3(7) . . . . ?
B1 C28 C61 C87 172.1(8) . . . . ?
B1 C28 C81 C56 -173.2(8) . . . . ?
B1 C138 C139 C134 173.6(6) . . . . ?
C68 C39 C60 N5 -173.4(6) . . . . ?
C68 C39 C60 C45 -45.9(10) . . . . ?
C68 C72 C89 C97 -1.4(14) . . . . ?
C68 C98 C129 C97 3.1(17) . . . . ?
C70 C21 B2 C4 -154.5(7) . . . . ?
C70 C21 B2 C10 -37.4(10) . . . . ?
C70 C21 B2 C27 84.8(8) . . . . ?
C70 C21 C59 C75 0.9(13) . . . . ?
C70 C71 C86 C75 2.2(17) . . . . ?
C72 C68 C98 C113 -176.1(10) . . . . ?
C72 C68 C98 C129 -1.5(14) . . . . ?
C72 C89 C97 C129 3.1(17) . . . . ?
C73 C45 C60 N5 88.0(10) . . . . ?
C73 C45 C60 C39 -34.0(11) . . . . ?
C73 C45 C88 C112 0.4(14) . . . . ?
C73 C45 C88 C132 177.1(10) . . . . ?
C73 C99 C102 C112 3.4(17) . . . . ?
C74 N11 C49 C11 -179.2(8) . . . . ?
C74 C40 C53 C57 -50.2(12) . . . . ?
C74 C40 C53 C104 127.8(12) . . . . ?
C74 C96 C107 C105 178.0(8) . . . . ?
C74 C96 C107 C110 0.8(15) . . . . ?
C74 C96 C109 C130 178.2(9) . . . . ?
C76 C32 C52 C15 3.3(13) . . . . ?
C78 C62 C82 C100 0.5(14) . . . . ?
C78 C69 C128 C100 -6.6(16) . . . . ?
C80 C26 C37 N9 -1.7(14) . . . . ?
C80 C26 C37 C33 -176.9(9) . . . . ?
C81 C28 C61 C87 1.2(12) . . . . ?
C81 C28 B1 C14 -148.6(7) . . . . ?
C81 C28 B1 C17 89.6(9) . . . . ?
C81 C28 B1 C138 -30.3(11) . . . . ?
C81 C56 C66 C87 2.2(15) . . . . ?
C82 C62 C78 C43 177.8(8) . . . . ?
C82 C62 C78 C69 -0.8(14) . . . . ?
C82 C100 C128 C69 6.8(18) . . . . ?
C84 C79 C103 C94 4.0(18) . . . . ?
C88 C45 C60 N5 -95.0(10) . . . . ?
C88 C45 C60 C39 143.0(9) . . . . ?
C88 C45 C73 C99 1.2(15) . . . . ?
C89 C97 C129 C98 -4.0(18) . . . . ?
C91 C108 C131 C104 -6(3) . . . . ?
C93 N2 C31 C67 -176.8(10) . . . . ?
C93 C122 C123 C124 175.9(8) . . . . ?
C94 C20 C36 N1 -115.5(9) . . . . ?
C94 C20 C36 C93 121.3(10) . . . . ?
C94 C20 C46 C84 -1.8(12) . . . . ?
C96 C109 C130 C111 2.9(17) . . . . ?
C98 C68 C72 C89 0.6(13) . . . . ?
C99 C102 C112 C88 -1.9(17) . . . . ?
C101 C69 C78 C43 4.1(14) . . . . ?
C101 C69 C78 C62 -177.2(10) . . . . ?
C101 C69 C128 C100 174.3(11) . . . . ?
C103 C79 C84 C46 -2.2(15) . . . . ?
C104 C53 C57 C91 0.0(15) . . . . ?
C105 C111 C130 C109 2.5(19) . . . . ?
C107 C96 C109 C130 -4.3(17) . . . . ?
C107 C105 C111 C130 -6.3(19) . . . . ?
C109 C96 C107 C105 0.6(15) . . . . ?
C109 C96 C107 C110 -176.6(11) . . . . ?
C111 C105 C107 C96 4.6(16) . . . . ?
C111 C105 C107 C110 -178.2(11) . . . . ?
C113 C98 C129 C97 178.0(12) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C115 C116 C117 C114 172.5(10) . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C117 C118 C13 -174.2(7) . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C13 C43 N7 -172.9(6) . . . . ?
C118 C13 C43 C78 -46.8(9) . . . . ?
C118 C119 C120 C115 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C126 C121 C122 C93 -176.2(8) . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C127 C94 C103 C79 177.9(11) . . . . ?
C128 C69 C78 C43 -175.0(9) . . . . ?
C128 C69 C78 C62 3.8(13) . . . . ?
C132 C88 C112 C102 -176.7(11) . . . . ?
C133 C121 C122 C93 5.5(8) . . . . ?
C133 C121 C122 C123 -178.3(8) . . . . ?
C133 C121 C126 C125 178.5(7) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C134 C139 C138 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C137 C138 B1 -173.2(6) . . . . ?
C136 C137 C138 C139 0.0 . . . . ?
C137 C138 C139 C134 0.0 . . . . ?
C139 C134 C135 C136 0.0 . . . . ?
C140 C104 C131 C108 -169.3(19) . . . . ?
C114 C117 C118 C13 13.5(10) . . . . ?
C114 C117 C118 C119 -172.4(11) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.020 0.233 0.240 1315.2 541.1 '30 CH3OH'
2 0.082 -0.267 0.760 1315.2 538.7 '30 CH3OH'
