#------------------------------------------------------------------------------
#$Date: 2019-11-12 03:59:05 +0200 (Tue, 12 Nov 2019) $
#$Revision: 227494 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/43/4514390.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_4514390
loop_
_publ_author_name
'Zhao, Xiaoyu'
'Song, Xiaoyu'
'Li, Yang'
'Chang, Ze'
'Chen, Long'
_publ_section_title
;
 Targeted Construction of Light-Harvesting Metal-Organic Frameworks
 Featuring Efficient Host-Guest Energy Transfer.
;
_journal_issue                   6
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              5633
_journal_page_last               5640
_journal_paper_doi               10.1021/acsami.7b17755
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'C140 H88 Cd4 N8 O16'
_chemical_formula_sum            'C140 H88 Cd4 N8 O16'
_chemical_formula_weight         2587.78
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.068(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   37.303(5)
_cell_length_b                   24.999(4)
_cell_length_c                   20.771(3)
_cell_measurement_reflns_used    20362
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     19342(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  bruker-ccd
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29660
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.477
_exptl_absorpt_correction_T_max  0.9106
_exptl_absorpt_correction_T_min  0.9023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5216
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
;
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.193(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1513
_refine_ls_number_reflns         29660
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                25936
_reflns_number_total             29660
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am7b17755_si_003.cif
_cod_data_source_block           TPPE-1,4-NDA-CdSO4
_cod_depositor_comments
'Adding full bibliography for 4514390--4514391.cif.'
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4514390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.591238(8) 0.091487(12) 0.709318(13) 0.01740(8) Uani 1 1 d .
Cd2 Cd 0.079952(8) 0.337712(12) 1.004359(13) 0.01705(8) Uani 1 1 d .
Cd3 Cd 0.104779(8) 0.086624(12) 0.668489(13) 0.01617(7) Uani 1 1 d .
Cd4 Cd 0.076828(8) 0.162284(12) 0.508320(13) 0.01708(8) Uani 1 1 d .
O1 O 0.57573(8) 0.02685(12) 0.78335(13) 0.0214(7) Uani 1 1 d .
O2 O 0.60083(8) 0.10044(13) 0.82424(14) 0.0216(7) Uani 1 1 d .
O3 O 0.57540(8) -0.03365(12) 1.12928(14) 0.0217(7) Uani 1 1 d .
O4 O 0.55503(8) -0.09970(12) 1.06551(14) 0.0203(7) Uani 1 1 d .
O5 O 0.59006(9) 0.35009(14) 0.89547(15) 0.0297(8) Uani 1 1 d .
O6 O 0.56380(8) 0.27498(14) 0.92338(15) 0.0298(8) Uani 1 1 d .
O7 O 0.61346(8) 0.15438(12) 0.64384(13) 0.0208(7) Uani 1 1 d .
O8 O 0.59635(8) 0.22386(13) 0.58299(14) 0.0237(7) Uani 1 1 d .
O9 O 0.09379(8) 0.10097(13) 0.78239(14) 0.0246(7) Uani 1 1 d .
O10 O 0.12856(8) 0.03381(13) 0.75561(15) 0.0268(8) Uani 1 1 d .
O11 O 0.12384(8) -0.01350(13) 1.10478(15) 0.0244(7) Uani 1 1 d .
O12 O 0.10645(8) -0.08490(12) 1.05002(15) 0.0216(7) Uani 1 1 d .
O13 O 0.09185(8) 0.28572(12) 0.91641(14) 0.0207(7) Uani 1 1 d .
O14 O 0.05954(8) 0.35834(12) 0.89053(13) 0.0208(7) Uani 1 1 d .
O15 O 0.07238(8) 0.16282(12) 0.62715(14) 0.0214(7) Uani 1 1 d .
O16 O 0.05263(8) 0.23293(12) 0.57183(14) 0.0247(7) Uani 1 1 d .
N1 N -0.36745(9) 0.29681(16) 1.01760(18) 0.0233(9) Uani 1 1 d .
N2 N -0.36665(9) -0.12073(15) 0.98623(17) 0.0225(9) Uani 1 1 d .
N3 N 0.02322(9) 0.29531(16) 0.99993(17) 0.0223(9) Uani 1 1 d .
N4 N 0.02325(9) -0.11787(15) 0.99261(17) 0.0226(9) Uani 1 1 d .
N5 N 0.15074(9) 0.55516(15) 0.71539(17) 0.0197(8) Uani 1 1 d .
N6 N 0.15493(9) 0.13840(15) 0.68606(17) 0.0215(8) Uani 1 1 d .
N7 N 0.54822(9) 0.54545(16) 0.66714(18) 0.0230(9) Uani 1 1 d .
N8 N 0.53734(9) 0.13559(16) 0.72542(18) 0.0228(9) Uani 1 1 d .
C1 C -0.33645(13) 0.3228(2) 1.0088(3) 0.0346(12) Uani 1 1 d .
H1A H -0.3366 0.3599 1.0049 0.042 Uiso 1 1 calc R
C2 C -0.30391(12) 0.2950(2) 1.0053(3) 0.0335(12) Uani 1 1 d .
H2A H -0.2828 0.3138 0.9992 0.040 Uiso 1 1 calc R
C3 C -0.30300(11) 0.23843(18) 1.0110(2) 0.0216(10) Uani 1 1 d .
C4 C -0.33565(11) 0.21312(19) 1.0204(2) 0.0274(11) Uani 1 1 d .
H4A H -0.3364 0.1761 1.0248 0.033 Uiso 1 1 calc R
C5 C -0.36689(13) 0.2427(2) 1.0232(2) 0.0297(12) Uani 1 1 d .
H5A H -0.3883 0.2248 1.0291 0.036 Uiso 1 1 calc R
C6 C -0.26965(11) 0.20753(19) 1.0042(2) 0.0235(10) Uani 1 1 d .
C7 C -0.26363(11) 0.15994(17) 1.0374(2) 0.0195(10) Uani 1 1 d .
H7A H -0.2803 0.1482 1.0660 0.023 Uiso 1 1 calc R
C8 C -0.23325(11) 0.12978(18) 1.0286(2) 0.0214(10) Uani 1 1 d .
H8A H -0.2300 0.0976 1.0508 0.026 Uiso 1 1 calc R
C9 C -0.20731(11) 0.14667(18) 0.9872(2) 0.0201(10) Uani 1 1 d .
C10 C -0.21258(11) 0.19532(19) 0.9563(2) 0.0272(11) Uani 1 1 d .
H10A H -0.1952 0.2080 0.9296 0.033 Uiso 1 1 calc R
C11 C -0.24317(12) 0.2256(2) 0.9645(2) 0.0316(12) Uani 1 1 d .
H11A H -0.2461 0.2582 0.9432 0.038 Uiso 1 1 calc R
C12 C -0.17346(10) 0.11553(18) 0.9771(2) 0.0206(10) Uani 1 1 d .
C13 C -0.17247(11) 0.06105(18) 0.9695(2) 0.0195(9) Uani 1 1 d .
C14 C -0.20481(11) 0.02669(17) 0.9631(2) 0.0180(9) Uani 1 1 d .
C15 C -0.20549(11) -0.01951(18) 1.0004(2) 0.0246(10) Uani 1 1 d .
H15A H -0.1851 -0.0292 1.0256 0.030 Uiso 1 1 calc R
C16 C -0.23598(11) -0.05151(18) 1.0010(2) 0.0229(10) Uani 1 1 d .
H16A H -0.2361 -0.0819 1.0268 0.027 Uiso 1 1 calc R
C17 C -0.26690(10) -0.03765(18) 0.9620(2) 0.0189(9) Uani 1 1 d .
C18 C -0.26478(10) 0.00538(17) 0.9215(2) 0.0176(9) Uani 1 1 d .
H18A H -0.2843 0.0132 0.8933 0.021 Uiso 1 1 calc R
C19 C -0.23422(11) 0.03817(19) 0.9208(2) 0.0217(10) Uani 1 1 d .
H19A H -0.2336 0.0671 0.8927 0.026 Uiso 1 1 calc R
C20 C -0.30080(11) -0.06853(18) 0.9668(2) 0.0184(10) Uani 1 1 d .
C21 C -0.32917(12) -0.06555(18) 0.9222(2) 0.0239(10) Uani 1 1 d .
H21A H -0.3270 -0.0463 0.8843 0.029 Uiso 1 1 calc R
C22 C -0.36106(12) -0.09131(17) 0.9336(2) 0.0225(10) Uani 1 1 d .
H22A H -0.3799 -0.0880 0.9028 0.027 Uiso 1 1 calc R
C23 C -0.33829(12) -0.1258(2) 1.0292(2) 0.0273(11) Uani 1 1 d .
H23A H -0.3408 -0.1483 1.0643 0.033 Uiso 1 1 calc R
C24 C -0.30565(12) -0.09962(19) 1.0246(2) 0.0285(11) Uani 1 1 d .
H24 H -0.2877 -0.1019 1.0573 0.034 Uiso 1 1 calc R
C25 C -0.14015(10) 0.14906(18) 0.9800(2) 0.0210(10) Uani 1 1 d .
C26 C -0.13325(11) 0.18508(19) 1.0297(2) 0.0242(10) Uani 1 1 d .
H26A H -0.1495 0.1886 1.0618 0.029 Uiso 1 1 calc R
C27 C -0.10159(11) 0.21664(19) 1.0322(2) 0.0269(11) Uani 1 1 d .
H27A H -0.0969 0.2406 1.0659 0.032 Uiso 1 1 calc R
C28 C -0.07802(11) 0.21126(18) 0.9843(2) 0.0213(10) Uani 1 1 d .
C29 C -0.08534(11) 0.17726(19) 0.9335(2) 0.0251(10) Uani 1 1 d .
H29A H -0.0693 0.1750 0.9008 0.030 Uiso 1 1 calc R
C30 C -0.11637(11) 0.1458(2) 0.9300(2) 0.0277(11) Uani 1 1 d .
H30A H -0.1212 0.1232 0.8951 0.033 Uiso 1 1 calc R
C31 C -0.04276(11) 0.24153(19) 0.9889(2) 0.0242(10) Uani 1 1 d .
C32 C -0.04001(12) 0.2933(2) 1.0128(2) 0.0295(11) Uani 1 1 d .
H32A H -0.0603 0.3108 1.0264 0.035 Uiso 1 1 calc R
C33 C -0.00712(12) 0.3189(2) 1.0162(2) 0.0284(11) Uani 1 1 d .
H33A H -0.0061 0.3541 1.0306 0.034 Uiso 1 1 calc R
C34 C 0.02066(12) 0.2458(2) 0.9772(2) 0.0268(11) Uani 1 1 d .
H34A H 0.0415 0.2291 0.9649 0.032 Uiso 1 1 calc R
C35 C -0.01157(12) 0.2173(2) 0.9707(2) 0.0314(12) Uani 1 1 d .
H35A H -0.0120 0.1827 0.9543 0.038 Uiso 1 1 calc R
C36 C -0.13832(10) 0.03134(18) 0.9706(2) 0.0189(9) Uani 1 1 d .
C37 C -0.13003(11) -0.0023(2) 0.9206(2) 0.0282(11) Uani 1 1 d .
H37A H -0.1458 -0.0044 0.8845 0.034 Uiso 1 1 calc R
C38 C -0.09922(12) -0.0326(2) 0.9223(2) 0.0297(12) Uani 1 1 d .
H38A H -0.0942 -0.0540 0.8873 0.036 Uiso 1 1 calc R
C39 C -0.07569(11) -0.03146(19) 0.9759(2) 0.0250(11) Uani 1 1 d .
C40 C -0.08408(11) 0.0000(2) 1.0279(2) 0.0266(10) Uani 1 1 d .
H40A H -0.0691 0.0001 1.0652 0.032 Uiso 1 1 calc R
C41 C -0.11464(11) 0.03129(19) 1.0245(2) 0.0239(10) Uani 1 1 d .
H41A H -0.1195 0.0530 1.0594 0.029 Uiso 1 1 calc R
C42 C -0.04168(11) -0.0639(2) 0.9808(2) 0.0264(11) Uani 1 1 d .
C43 C -0.03175(12) -0.0906(2) 1.0364(2) 0.0330(12) Uani 1 1 d .
H43A H -0.0465 -0.0908 1.0711 0.040 Uiso 1 1 calc R
C44 C 0.00144(12) -0.1177(2) 1.0400(2) 0.0310(12) Uani 1 1 d .
H44A H 0.0081 -0.1362 1.0776 0.037 Uiso 1 1 calc R
C45 C 0.01331(12) -0.0921(2) 0.9377(2) 0.0311(12) Uani 1 1 d .
H45A H 0.0288 -0.0923 0.9040 0.037 Uiso 1 1 calc R
C46 C -0.01868(13) -0.0655(2) 0.9293(2) 0.0314(11) Uani 1 1 d .
H46A H -0.0251 -0.0489 0.8904 0.038 Uiso 1 1 calc R
C47 C 0.17951(12) 0.5800(2) 0.6957(2) 0.0237(11) Uani 1 1 d .
H47A H 0.1771 0.6143 0.6786 0.028 Uiso 1 1 calc R
C48 C 0.21371(12) 0.55589(19) 0.7000(2) 0.0248(10) Uani 1 1 d .
H48A H 0.2335 0.5744 0.6864 0.030 Uiso 1 1 calc R
C49 C 0.21768(11) 0.50559(18) 0.72387(19) 0.0196(10) Uani 1 1 d .
C50 C 0.18720(12) 0.48061(19) 0.7444(2) 0.0247(10) Uani 1 1 d .
H50A H 0.1888 0.4462 0.7612 0.030 Uiso 1 1 calc R
C51 C 0.15516(12) 0.50583(19) 0.7401(2) 0.0245(11) Uani 1 1 d .
H51A H 0.1353 0.4882 0.7550 0.029 Uiso 1 1 calc R
C52 C 0.25313(11) 0.47713(17) 0.7279(2) 0.0211(10) Uani 1 1 d .
C53 C 0.26180(11) 0.44184(18) 0.7782(2) 0.0229(10) Uani 1 1 d .
H53A H 0.2462 0.4381 0.8114 0.027 Uiso 1 1 calc R
C54 C 0.27805(11) 0.48363(19) 0.6802(2) 0.0265(11) Uani 1 1 d .
H54A H 0.2735 0.5080 0.6470 0.032 Uiso 1 1 calc R
C55 C 0.30937(11) 0.45386(18) 0.6825(2) 0.0246(10) Uani 1 1 d .
H55A H 0.3256 0.4588 0.6506 0.030 Uiso 1 1 calc R
C56 C 0.31716(10) 0.41657(18) 0.7314(2) 0.0214(10) Uani 1 1 d .
C57 C 0.29353(11) 0.41197(19) 0.7796(2) 0.0244(10) Uani 1 1 d .
H57A H 0.2987 0.3887 0.8138 0.029 Uiso 1 1 calc R
C58 C 0.34955(10) 0.38083(18) 0.7292(2) 0.0196(9) Uani 1 1 d .
C59 C 0.34676(10) 0.32717(18) 0.7362(2) 0.0192(9) Uani 1 1 d .
C60 C 0.31163(11) 0.29755(18) 0.7349(2) 0.0234(10) Uani 1 1 d .
C61 C 0.28485(12) 0.30806(18) 0.6882(2) 0.0286(11) Uani 1 1 d .
H61A H 0.2876 0.3364 0.6598 0.034 Uiso 1 1 calc R
C62 C 0.25423(11) 0.2774(2) 0.6828(2) 0.0281(11) Uani 1 1 d .
H62A H 0.2369 0.2853 0.6504 0.034 Uiso 1 1 calc R
C63 C 0.24856(11) 0.23604(19) 0.7230(2) 0.0255(10) Uani 1 1 d .
C64 C 0.27568(12) 0.2253(2) 0.7716(2) 0.0300(11) Uani 1 1 d .
H64A H 0.2728 0.1970 0.8000 0.036 Uiso 1 1 calc R
C65 C 0.30609(11) 0.25614(18) 0.7774(2) 0.0241(10) Uani 1 1 d .
H65A H 0.3233 0.2491 0.8104 0.029 Uiso 1 1 calc R
C66 C 0.21657(11) 0.20150(19) 0.7133(2) 0.0246(10) Uani 1 1 d .
C67 C 0.21708(14) 0.1469(2) 0.7235(3) 0.0490(16) Uani 1 1 d .
H67A H 0.2379 0.1302 0.7397 0.059 Uiso 1 1 calc R
C68 C 0.18634(14) 0.1172(2) 0.7096(3) 0.0516(17) Uani 1 1 d .
H68A H 0.1873 0.0805 0.7167 0.062 Uiso 1 1 calc R
C69 C 0.15457(12) 0.1903(2) 0.6776(2) 0.0284(11) Uani 1 1 d .
H69A H 0.1332 0.2059 0.6622 0.034 Uiso 1 1 calc R
C70 C 0.18421(12) 0.22371(19) 0.6901(2) 0.0296(11) Uani 1 1 d .
H70A H 0.1823 0.2603 0.6829 0.036 Uiso 1 1 calc R
C71 C 0.38427(10) 0.40871(17) 0.7178(2) 0.0167(9) Uani 1 1 d .
C72 C 0.39362(11) 0.45516(19) 0.7513(2) 0.0269(11) Uani 1 1 d .
H72A H 0.3782 0.4688 0.7810 0.032 Uiso 1 1 calc R
C73 C 0.42534(11) 0.48152(18) 0.7413(2) 0.0228(10) Uani 1 1 d .
H73A H 0.4313 0.5120 0.7652 0.027 Uiso 1 1 calc R
C74 C 0.44867(10) 0.46301(18) 0.6957(2) 0.0202(10) Uani 1 1 d .
C75 C 0.43839(11) 0.41747(17) 0.6604(2) 0.0201(10) Uani 1 1 d .
H75A H 0.4529 0.4051 0.6286 0.024 Uiso 1 1 calc R
C76 C 0.40729(10) 0.39049(18) 0.6715(2) 0.0190(9) Uani 1 1 d .
H76A H 0.4014 0.3597 0.6481 0.023 Uiso 1 1 calc R
C77 C 0.48314(11) 0.49181(18) 0.6843(2) 0.0203(10) Uani 1 1 d .
C78 C 0.48756(12) 0.5457(2) 0.6997(2) 0.0274(11) Uani 1 1 d .
H78A H 0.4688 0.5650 0.7163 0.033 Uiso 1 1 calc R
C79 C 0.51982(12) 0.5700(2) 0.6901(2) 0.0279(11) Uani 1 1 d .
H79A H 0.5220 0.6061 0.7003 0.034 Uiso 1 1 calc R
C80 C 0.54355(12) 0.4933(2) 0.6513(2) 0.0287(11) Uani 1 1 d .
H80A H 0.5625 0.4752 0.6338 0.034 Uiso 1 1 calc R
C81 C 0.51287(12) 0.4665(2) 0.6596(3) 0.0335(12) Uani 1 1 d .
H81A H 0.5114 0.4304 0.6487 0.040 Uiso 1 1 calc R
C82 C 0.37905(10) 0.29127(17) 0.7415(2) 0.0182(9) Uani 1 1 d .
C83 C 0.38009(11) 0.24728(18) 0.7022(2) 0.0236(10) Uani 1 1 d .
H83A H 0.3603 0.2393 0.6749 0.028 Uiso 1 1 calc R
C84 C 0.41037(12) 0.21419(19) 0.7023(2) 0.0291(11) Uani 1 1 d .
H84A H 0.4107 0.1851 0.6745 0.035 Uiso 1 1 calc R
C85 C 0.44017(11) 0.2248(2) 0.7442(2) 0.0250(10) Uani 1 1 d .
C86 C 0.43818(11) 0.26828(19) 0.7885(2) 0.0251(10) Uani 1 1 d .
H86A H 0.4571 0.2748 0.8185 0.030 Uiso 1 1 calc R
C87 C 0.40801(11) 0.30065(19) 0.7866(2) 0.0254(10) Uani 1 1 d .
H87A H 0.4068 0.3289 0.8155 0.030 Uiso 1 1 calc R
C88 C 0.47262(11) 0.1922(2) 0.7397(2) 0.0260(11) Uani 1 1 d .
C89 C 0.47904(14) 0.1628(3) 0.6884(3) 0.0561(19) Uani 1 1 d .
H89A H 0.4613 0.1612 0.6552 0.067 Uiso 1 1 calc R
C90 C 0.51095(13) 0.1339(2) 0.6810(2) 0.0378(14) Uani 1 1 d .
H90A H 0.5134 0.1134 0.6441 0.045 Uiso 1 1 calc R
C91 C 0.53191(12) 0.16368(18) 0.7792(2) 0.0250(10) Uani 1 1 d .
H91A H 0.5500 0.1641 0.8118 0.030 Uiso 1 1 calc R
C92 C 0.50081(11) 0.1919(2) 0.7887(2) 0.0273(11) Uani 1 1 d .
H92A H 0.4983 0.2107 0.8268 0.033 Uiso 1 1 calc R
C93 C 0.58647(11) 0.05441(19) 0.8304(2) 0.0187(10) Uani 1 1 d .
C94 C 0.58361(11) 0.03089(17) 0.8967(2) 0.0176(9) Uani 1 1 d .
C95 C 0.55416(11) -0.00090(19) 0.9043(2) 0.0216(10) Uani 1 1 d .
H95A H 0.5372 -0.0055 0.8703 0.026 Uiso 1 1 calc R
C96 C 0.54966(12) -0.02687(19) 0.9644(2) 0.0245(11) Uani 1 1 d .
H96A H 0.5298 -0.0486 0.9694 0.029 Uiso 1 1 calc R
C97 C 0.57430(12) -0.02016(17) 1.0147(2) 0.0177(9) Uani 1 1 d .
C98 C 0.60532(11) 0.01132(18) 1.0085(2) 0.0184(10) Uani 1 1 d .
C99 C 0.63318(12) 0.01615(18) 1.0572(2) 0.0228(10) Uani 1 1 d .
H99A H 0.6305 -0.0004 1.0967 0.027 Uiso 1 1 calc R
C100 C 0.66398(12) 0.04426(19) 1.0480(2) 0.0261(10) Uani 1 1 d .
H10B H 0.6820 0.0463 1.0807 0.031 Uiso 1 1 calc R
C101 C 0.66818(11) 0.06982(18) 0.9893(2) 0.0228(10) Uani 1 1 d .
H10C H 0.6892 0.0888 0.9833 0.027 Uiso 1 1 calc R
C102 C 0.64234(11) 0.06770(18) 0.9404(2) 0.0218(10) Uani 1 1 d .
H10D H 0.6457 0.0853 0.9018 0.026 Uiso 1 1 calc R
C103 C 0.61004(11) 0.03838(17) 0.9486(2) 0.0178(9) Uani 1 1 d .
C104 C 0.56844(12) -0.05290(19) 1.0753(2) 0.0223(10) Uani 1 1 d .
C105 C 0.57888(12) 0.3033(2) 0.8840(2) 0.0229(11) Uani 1 1 d .
C106 C 0.58530(11) 0.28011(19) 0.8178(2) 0.0218(10) Uani 1 1 d .
C107 C 0.56091(11) 0.29257(18) 0.7647(2) 0.0190(10) Uani 1 1 d .
C108 C 0.53020(11) 0.32581(18) 0.7717(2) 0.0238(10) Uani 1 1 d .
H10E H 0.5267 0.3420 0.8112 0.029 Uiso 1 1 calc R
C109 C 0.50622(13) 0.33402(19) 0.7217(2) 0.0303(11) Uani 1 1 d .
H10F H 0.4862 0.3554 0.7272 0.036 Uiso 1 1 calc R
C110 C 0.51119(13) 0.3108(2) 0.6620(2) 0.0339(12) Uani 1 1 d .
H11B H 0.4941 0.3164 0.6283 0.041 Uiso 1 1 calc R
C111 C 0.54041(12) 0.28021(18) 0.6518(2) 0.0256(11) Uani 1 1 d .
H11C H 0.5435 0.2664 0.6109 0.031 Uiso 1 1 calc R
C112 C 0.56659(12) 0.26891(18) 0.7028(2) 0.0202(10) Uani 1 1 d .
C113 C 0.59536(12) 0.2327(2) 0.6968(2) 0.0237(11) Uani 1 1 d .
C114 C 0.61868(12) 0.2214(2) 0.7515(2) 0.0254(11) Uani 1 1 d .
H11D H 0.6378 0.1980 0.7477 0.031 Uiso 1 1 calc R
C115 C 0.61296(12) 0.2453(2) 0.8109(2) 0.0261(11) Uani 1 1 d .
H11E H 0.6283 0.2373 0.8464 0.031 Uiso 1 1 calc R
C116 C 0.60236(11) 0.20159(18) 0.6371(2) 0.0185(10) Uani 1 1 d .
C117 C 0.11296(12) 0.06038(19) 0.7968(2) 0.0211(11) Uani 1 1 d .
C118 C 0.11642(12) 0.04126(18) 0.8657(2) 0.0193(10) Uani 1 1 d .
C119 C 0.11510(12) 0.07562(19) 0.9206(2) 0.0237(10) Uani 1 1 d .
C120 C 0.11403(12) 0.13183(19) 0.9168(2) 0.0242(10) Uani 1 1 d .
H12A H 0.1142 0.1478 0.8764 0.029 Uiso 1 1 calc R
C121 C 0.11274(13) 0.1635(2) 0.9687(2) 0.0283(11) Uani 1 1 d .
H12B H 0.1127 0.2005 0.9640 0.034 Uiso 1 1 calc R
C122 C 0.11140(13) 0.1399(2) 1.0309(2) 0.0290(11) Uani 1 1 d .
H12C H 0.1096 0.1616 1.0670 0.035 Uiso 1 1 calc R
C123 C 0.11277(12) 0.08677(19) 1.0375(2) 0.0249(11) Uani 1 1 d .
H12D H 0.1122 0.0724 1.0787 0.030 Uiso 1 1 calc R
C124 C 0.11509(11) 0.05094(18) 0.9842(2) 0.0203(10) Uani 1 1 d .
C125 C 0.11645(12) -0.00571(18) 0.9889(2) 0.0195(10) Uani 1 1 d .
C126 C 0.11889(12) -0.03628(19) 0.9347(2) 0.0264(11) Uani 1 1 d .
H12E H 0.1201 -0.0733 0.9386 0.032 Uiso 1 1 calc R
C127 C 0.11957(13) -0.0132(2) 0.8735(2) 0.0295(11) Uani 1 1 d .
H12F H 0.1222 -0.0348 0.8377 0.035 Uiso 1 1 calc R
C128 C 0.11596(12) -0.0355(2) 1.0525(2) 0.0237(11) Uani 1 1 d .
C129 C 0.07389(12) 0.31481(18) 0.8759(2) 0.0181(10) Uani 1 1 d .
C130 C 0.06970(11) 0.29300(18) 0.8082(2) 0.0191(10) Uani 1 1 d .
C131 C 0.06697(11) 0.23880(18) 0.8022(2) 0.0206(10) Uani 1 1 d .
H13A H 0.0672 0.2179 0.8392 0.025 Uiso 1 1 calc R
C132 C 0.06384(11) 0.21365(18) 0.7419(2) 0.0196(10) Uani 1 1 d .
H13B H 0.0619 0.1766 0.7395 0.024 Uiso 1 1 calc R
C133 C 0.06359(11) 0.24313(18) 0.6865(2) 0.0186(10) Uani 1 1 d .
C134 C 0.06659(11) 0.30129(18) 0.6896(2) 0.0195(9) Uani 1 1 d .
C135 C 0.06724(13) 0.33413(18) 0.6341(2) 0.0263(11) Uani 1 1 d .
H13C H 0.0649 0.3187 0.5933 0.032 Uiso 1 1 calc R
C136 C 0.07125(13) 0.38784(19) 0.6400(2) 0.0312(11) Uani 1 1 d .
H13D H 0.0724 0.4086 0.6030 0.037 Uiso 1 1 calc R
C137 C 0.07369(14) 0.41248(19) 0.6999(2) 0.0299(12) Uani 1 1 d .
H13E H 0.0755 0.4495 0.7026 0.036 Uiso 1 1 calc R
C138 C 0.07343(13) 0.38308(18) 0.7543(2) 0.0253(11) Uani 1 1 d .
H13F H 0.0758 0.3998 0.7943 0.030 Uiso 1 1 calc R
C139 C 0.06951(11) 0.32575(18) 0.7508(2) 0.0182(9) Uani 1 1 d .
C140 C 0.06240(11) 0.21196(18) 0.6246(2) 0.0171(10) Uani 1 1 d .
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'
Cd Cd -0.8075 1.2024 '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
O3 Cd1 O7 95.29(11) 2_554 .
O3 Cd1 O1 88.70(11) 2_554 .
O7 Cd1 O1 172.60(10) . .
O3 Cd1 N8 102.39(12) 2_554 .
O7 Cd1 N8 95.97(12) . .
O1 Cd1 N8 89.23(12) . .
O3 Cd1 N5 90.07(12) 2_554 3_545
O7 Cd1 N5 85.81(12) . 3_545
O1 Cd1 N5 87.96(11) . 3_545
N8 Cd1 N5 167.16(13) . 3_545
O3 Cd1 O2 144.05(11) 2_554 .
O7 Cd1 O2 119.45(10) . .
O1 Cd1 O2 55.76(10) . .
N8 Cd1 O2 84.10(12) . .
N5 Cd1 O2 83.96(11) 3_545 .
O3 Cd1 C93 116.04(13) 2_554 .
O7 Cd1 C93 147.53(13) . .
O1 Cd1 C93 27.45(12) . .
N8 Cd1 C93 85.89(13) . .
N5 Cd1 C93 85.86(12) 3_545 .
O2 Cd1 C93 28.31(12) . .
O4 Cd2 N2 99.58(12) 3_455 3
O4 Cd2 O8 99.60(11) 3_455 4_455
N2 Cd2 O8 102.65(12) 3 4_455
O4 Cd2 O13 160.67(10) 3_455 .
N2 Cd2 O13 85.39(12) 3 .
O8 Cd2 O13 97.47(11) 4_455 .
O4 Cd2 N3 86.42(12) 3_455 .
N2 Cd2 N3 168.33(12) 3 .
O8 Cd2 N3 86.05(12) 4_455 .
O13 Cd2 N3 85.77(12) . .
O4 Cd2 O14 106.06(10) 3_455 .
N2 Cd2 O14 88.54(11) 3 .
O8 Cd2 O14 149.87(10) 4_455 .
O13 Cd2 O14 55.13(10) . .
N3 Cd2 O14 80.15(11) . .
O4 Cd2 C129 133.16(12) 3_455 .
N2 Cd2 C129 87.80(12) 3 .
O8 Cd2 C129 123.96(13) 4_455 .
O13 Cd2 C129 27.77(12) . .
N3 Cd2 C129 80.83(13) . .
O14 Cd2 C129 27.40(12) . .
N6 Cd3 N7 167.70(13) . 3_445
N6 Cd3 O10 85.64(12) . .
N7 Cd3 O10 93.69(12) 3_445 .
N6 Cd3 O11 104.86(12) . 2_554
N7 Cd3 O11 87.24(12) 3_445 2_554
O10 Cd3 O11 83.48(11) . 2_554
N6 Cd3 O15 89.99(12) . .
N7 Cd3 O15 84.74(12) 3_445 .
O10 Cd3 O15 151.43(11) . .
O11 Cd3 O15 124.81(10) 2_554 .
N6 Cd3 O9 86.61(12) . .
N7 Cd3 O9 83.04(12) 3_445 .
O10 Cd3 O9 54.55(11) . .
O11 Cd3 O9 135.87(11) 2_554 .
O15 Cd3 O9 97.05(10) . .
N6 Cd3 O12 96.03(11) . 2_554
N7 Cd3 O12 92.93(12) 3_445 2_554
O10 Cd3 O12 136.30(11) . 2_554
O11 Cd3 O12 53.78(10) 2_554 2_554
O15 Cd3 O12 72.22(10) . 2_554
O9 Cd3 O12 168.90(10) . 2_554
N6 Cd3 C117 86.15(13) . .
N7 Cd3 C117 87.71(13) 3_445 .
O10 Cd3 C117 27.06(13) . .
O11 Cd3 C117 109.52(13) 2_554 .
O15 Cd3 C117 124.53(13) . .
O9 Cd3 C117 27.50(12) . .
O12 Cd3 C117 163.19(13) 2_554 .
N4 Cd4 N1 175.51(14) 2_554 4_554
N4 Cd4 O12 92.44(12) 2_554 2_554
N1 Cd4 O12 86.05(12) 4_554 2_554
N4 Cd4 O6 94.09(12) 2_554 4_454
N1 Cd4 O6 85.29(12) 4_554 4_454
O12 Cd4 O6 151.39(11) 2_554 4_454
N4 Cd4 O16 94.80(12) 2_554 .
N1 Cd4 O16 89.52(12) 4_554 .
O12 Cd4 O16 125.43(10) 2_554 .
O6 Cd4 O16 81.71(11) 4_454 .
N4 Cd4 O5 91.23(12) 2_554 4_454
N1 Cd4 O5 84.79(12) 4_554 4_454
O12 Cd4 O5 97.66(11) 2_554 4_454
O6 Cd4 O5 54.41(11) 4_454 4_454
O16 Cd4 O5 136.04(11) . 4_454
N4 Cd4 O15 92.29(11) 2_554 .
N1 Cd4 O15 91.28(11) 4_554 .
O12 Cd4 O15 72.28(10) 2_554 .
O6 Cd4 O15 135.09(11) 4_454 .
O16 Cd4 O15 53.46(10) . .
O5 Cd4 O15 169.46(11) 4_454 .
N4 Cd4 C105 94.97(13) 2_554 4_454
N1 Cd4 C105 82.46(13) 4_554 4_454
O12 Cd4 C105 124.61(14) 2_554 4_454
O6 Cd4 C105 27.01(13) 4_454 4_454
O16 Cd4 C105 108.51(14) . 4_454
O5 Cd4 C105 27.54(13) 4_454 4_454
O15 Cd4 C105 161.16(14) . 4_454
C93 O1 Cd1 93.1(3) . .
C93 O2 Cd1 88.5(3) . .
C104 O3 Cd1 116.9(3) . 2
C104 O4 Cd2 123.6(3) . 3_545
C105 O5 Cd4 89.0(3) . 4
C105 O6 Cd4 91.8(3) . 4
C116 O7 Cd1 126.2(3) . .
C116 O8 Cd2 111.3(3) . 4_554
C117 O9 Cd3 89.4(3) . .
C117 O10 Cd3 93.3(3) . .
C128 O11 Cd3 94.7(3) . 2
C128 O12 Cd4 157.2(3) . 2
C128 O12 Cd3 89.9(3) . 2
Cd4 O12 Cd3 108.33(12) 2 2
C129 O13 Cd2 94.9(3) . .
C129 O14 Cd2 86.5(2) . .
C140 O15 Cd3 156.5(3) . .
C140 O15 Cd4 89.9(2) . .
Cd3 O15 Cd4 107.06(11) . .
C140 O16 Cd4 94.2(3) . .
C1 N1 C5 118.9(4) . .
C1 N1 Cd4 123.3(3) . 4_455
C5 N1 Cd4 117.2(3) . 4_455
C22 N2 C23 116.0(4) . .
C22 N2 Cd2 123.7(3) . 3_445
C23 N2 Cd2 120.2(3) . 3_445
C34 N3 C33 117.1(4) . .
C34 N3 Cd2 118.6(3) . .
C33 N3 Cd2 124.1(3) . .
C44 N4 C45 118.8(4) . .
C44 N4 Cd4 117.8(3) . 2
C45 N4 Cd4 123.4(3) . 2
C47 N5 C51 117.7(4) . .
C47 N5 Cd1 124.8(3) . 3_455
C51 N5 Cd1 117.6(3) . 3_455
C69 N6 C68 116.1(4) . .
C69 N6 Cd3 122.5(3) . .
C68 N6 Cd3 121.4(3) . .
C79 N7 C80 115.8(4) . .
C79 N7 Cd3 121.7(3) . 3
C80 N7 Cd3 122.0(3) . 3
C90 N8 C91 117.4(4) . .
C90 N8 Cd1 120.2(3) . .
C91 N8 Cd1 122.4(3) . .
N1 C1 C2 121.3(5) . .
N1 C1 H1A 119.4 . .
C2 C1 H1A 119.4 . .
C1 C2 C3 120.4(4) . .
C1 C2 H2A 119.8 . .
C3 C2 H2A 119.8 . .
C4 C3 C2 116.5(4) . .
C4 C3 C6 121.5(4) . .
C2 C3 C6 122.0(4) . .
C5 C4 C3 120.4(5) . .
C5 C4 H4A 119.8 . .
C3 C4 H4A 119.8 . .
N1 C5 C4 122.5(5) . .
N1 C5 H5A 118.7 . .
C4 C5 H5A 118.7 . .
C7 C6 C11 118.0(4) . .
C7 C6 C3 121.0(4) . .
C11 C6 C3 120.9(4) . .
C8 C7 C6 121.0(4) . .
C8 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
C7 C8 C9 121.2(4) . .
C7 C8 H8A 119.4 . .
C9 C8 H8A 119.4 . .
C10 C9 C8 117.8(4) . .
C10 C9 C12 119.3(4) . .
C8 C9 C12 122.9(4) . .
C9 C10 C11 121.3(4) . .
C9 C10 H10A 119.3 . .
C11 C10 H10A 119.3 . .
C10 C11 C6 120.6(5) . .
C10 C11 H11A 119.7 . .
C6 C11 H11A 119.7 . .
C13 C12 C25 122.2(4) . .
C13 C12 C9 123.8(4) . .
C25 C12 C9 113.9(4) . .
C12 C13 C36 121.8(4) . .
C12 C13 C14 124.0(4) . .
C36 C13 C14 114.1(4) . .
C15 C14 C19 118.9(4) . .
C15 C14 C13 118.0(4) . .
C19 C14 C13 123.0(4) . .
C16 C15 C14 121.4(4) . .
C16 C15 H15A 119.3 . .
C14 C15 H15A 119.3 . .
C15 C16 C17 119.7(4) . .
C15 C16 H16A 120.1 . .
C17 C16 H16A 120.1 . .
C18 C17 C16 118.1(4) . .
C18 C17 C20 121.7(4) . .
C16 C17 C20 120.2(4) . .
C17 C18 C19 122.5(4) . .
C17 C18 H18A 118.7 . .
C19 C18 H18A 118.7 . .
C14 C19 C18 118.9(4) . .
C14 C19 H19A 120.5 . .
C18 C19 H19A 120.5 . .
C21 C20 C24 117.6(4) . .
C21 C20 C17 123.7(4) . .
C24 C20 C17 118.5(4) . .
C20 C21 C22 119.9(4) . .
C20 C21 H21A 120.1 . .
C22 C21 H21A 120.1 . .
N2 C22 C21 124.5(4) . .
N2 C22 H22A 117.7 . .
C21 C22 H22A 117.7 . .
N2 C23 C24 124.5(4) . .
N2 C23 H23A 117.7 . .
C24 C23 H23A 117.7 . .
C23 C24 C20 117.3(4) . .
C23 C24 H24 121.4 . .
C20 C24 H24 121.4 . .
C26 C25 C30 119.3(4) . .
C26 C25 C12 121.0(4) . .
C30 C25 C12 119.6(4) . .
C25 C26 C27 120.7(4) . .
C25 C26 H26A 119.7 . .
C27 C26 H26A 119.7 . .
C28 C27 C26 118.9(4) . .
C28 C27 H27A 120.5 . .
C26 C27 H27A 120.5 . .
C29 C28 C27 120.7(4) . .
C29 C28 C31 119.6(4) . .
C27 C28 C31 119.6(4) . .
C28 C29 C30 121.3(4) . .
C28 C29 H29A 119.3 . .
C30 C29 H29A 119.3 . .
C29 C30 C25 118.9(4) . .
C29 C30 H30A 120.6 . .
C25 C30 H30A 120.6 . .
C35 C31 C32 117.3(4) . .
C35 C31 C28 120.3(4) . .
C32 C31 C28 122.3(4) . .
C33 C32 C31 119.9(4) . .
C33 C32 H32A 120.1 . .
C31 C32 H32A 120.1 . .
N3 C33 C32 123.1(4) . .
N3 C33 H33A 118.5 . .
C32 C33 H33A 118.5 . .
N3 C34 C35 123.7(4) . .
N3 C34 H34A 118.1 . .
C35 C34 H34A 118.1 . .
C31 C35 C34 118.9(4) . .
C31 C35 H35A 120.6 . .
C34 C35 H35A 120.6 . .
C37 C36 C41 116.6(4) . .
C37 C36 C13 121.5(4) . .
C41 C36 C13 121.6(4) . .
C38 C37 C36 122.4(4) . .
C38 C37 H37A 118.8 . .
C36 C37 H37A 118.8 . .
C37 C38 C39 120.2(4) . .
C37 C38 H38A 119.9 . .
C39 C38 H38A 119.9 . .
C38 C39 C40 118.7(4) . .
C38 C39 C42 122.7(4) . .
C40 C39 C42 118.6(4) . .
C41 C40 C39 120.1(4) . .
C41 C40 H40A 119.9 . .
C39 C40 H40A 119.9 . .
C40 C41 C36 121.9(4) . .
C40 C41 H41A 119.0 . .
C36 C41 H41A 119.0 . .
C43 C42 C46 118.7(4) . .
C43 C42 C39 120.6(4) . .
C46 C42 C39 120.7(4) . .
C42 C43 C44 118.4(4) . .
C42 C43 H43A 120.8 . .
C44 C43 H43A 120.8 . .
N4 C44 C43 122.7(4) . .
N4 C44 H44A 118.7 . .
C43 C44 H44A 118.7 . .
N4 C45 C46 122.6(4) . .
N4 C45 H45A 118.7 . .
C46 C45 H45A 118.7 . .
C45 C46 C42 118.8(4) . .
C45 C46 H46A 120.6 . .
C42 C46 H46A 120.6 . .
N5 C47 C48 121.7(4) . .
N5 C47 H47A 119.1 . .
C48 C47 H47A 119.1 . .
C49 C48 C47 120.0(4) . .
C49 C48 H48A 120.0 . .
C47 C48 H48A 120.0 . .
C48 C49 C50 117.1(4) . .
C48 C49 C52 122.6(4) . .
C50 C49 C52 120.3(4) . .
C51 C50 C49 120.5(4) . .
C51 C50 H50A 119.7 . .
C49 C50 H50A 119.7 . .
N5 C51 C50 123.0(4) . .
N5 C51 H51A 118.5 . .
C50 C51 H51A 118.5 . .
C53 C52 C54 117.8(4) . .
C53 C52 C49 120.7(4) . .
C54 C52 C49 121.4(4) . .
C52 C53 C57 121.1(4) . .
C52 C53 H53A 119.4 . .
C57 C53 H53A 119.4 . .
C55 C54 C52 120.2(4) . .
C55 C54 H54A 119.9 . .
C52 C54 H54A 119.9 . .
C54 C55 C56 121.7(4) . .
C54 C55 H55A 119.1 . .
C56 C55 H55A 119.1 . .
C57 C56 C55 118.0(4) . .
C57 C56 C58 121.3(4) . .
C55 C56 C58 120.7(4) . .
C56 C57 C53 121.0(4) . .
C56 C57 H57A 119.5 . .
C53 C57 H57A 119.5 . .
C59 C58 C71 123.3(4) . .
C59 C58 C56 121.2(4) . .
C71 C58 C56 115.5(4) . .
C58 C59 C82 122.3(4) . .
C58 C59 C60 123.9(4) . .
C82 C59 C60 113.7(4) . .
C61 C60 C65 117.6(4) . .
C61 C60 C59 121.1(4) . .
C65 C60 C59 121.1(4) . .
C62 C61 C60 121.2(4) . .
C62 C61 H61A 119.4 . .
C60 C61 H61A 119.4 . .
C63 C62 C61 122.1(4) . .
C63 C62 H62A 118.9 . .
C61 C62 H62A 118.9 . .
C62 C63 C64 117.1(4) . .
C62 C63 C66 120.9(4) . .
C64 C63 C66 121.8(4) . .
C65 C64 C63 120.8(4) . .
C65 C64 H64A 119.6 . .
C63 C64 H64A 119.6 . .
C64 C65 C60 121.1(4) . .
C64 C65 H65A 119.5 . .
C60 C65 H65A 119.5 . .
C67 C66 C70 116.9(4) . .
C67 C66 C63 123.5(4) . .
C70 C66 C63 119.6(4) . .
C68 C67 C66 119.6(5) . .
C68 C67 H67A 120.2 . .
C66 C67 H67A 120.2 . .
N6 C68 C67 123.8(5) . .
N6 C68 H68A 118.1 . .
C67 C68 H68A 118.1 . .
N6 C69 C70 124.4(4) . .
N6 C69 H69A 117.8 . .
C70 C69 H69A 117.8 . .
C66 C70 C69 119.2(4) . .
C66 C70 H70A 120.4 . .
C69 C70 H70A 120.4 . .
C72 C71 C76 118.0(4) . .
C72 C71 C58 120.3(4) . .
C76 C71 C58 121.6(4) . .
C73 C72 C71 121.2(4) . .
C73 C72 H72A 119.4 . .
C71 C72 H72A 119.4 . .
C72 C73 C74 120.9(4) . .
C72 C73 H73A 119.6 . .
C74 C73 H73A 119.6 . .
C75 C74 C73 117.5(4) . .
C75 C74 C77 121.4(4) . .
C73 C74 C77 121.1(4) . .
C76 C75 C74 121.5(4) . .
C76 C75 H75A 119.2 . .
C74 C75 H75A 119.2 . .
C75 C76 C71 120.8(4) . .
C75 C76 H76A 119.6 . .
C71 C76 H76A 119.6 . .
C78 C77 C81 115.8(4) . .
C78 C77 C74 121.3(4) . .
C81 C77 C74 122.9(4) . .
C79 C78 C77 119.3(4) . .
C79 C78 H78A 120.4 . .
C77 C78 H78A 120.4 . .
N7 C79 C78 124.6(5) . .
N7 C79 H79A 117.7 . .
C78 C79 H79A 117.7 . .
C81 C80 N7 123.3(4) . .
C81 C80 H80A 118.4 . .
N7 C80 H80A 118.4 . .
C80 C81 C77 121.2(5) . .
C80 C81 H81A 119.4 . .
C77 C81 H81A 119.4 . .
C83 C82 C87 118.9(4) . .
C83 C82 C59 118.9(4) . .
C87 C82 C59 122.1(4) . .
C82 C83 C84 121.4(4) . .
C82 C83 H83A 119.3 . .
C84 C83 H83A 119.3 . .
C83 C84 C85 120.1(4) . .
C83 C84 H84A 119.9 . .
C85 C84 H84A 119.9 . .
C84 C85 C86 118.6(4) . .
C84 C85 C88 119.0(4) . .
C86 C85 C88 122.4(4) . .
C87 C86 C85 119.8(4) . .
C87 C86 H86A 120.1 . .
C85 C86 H86A 120.1 . .
C86 C87 C82 120.9(4) . .
C86 C87 H87A 119.6 . .
C82 C87 H87A 119.6 . .
C89 C88 C92 114.4(4) . .
C89 C88 C85 123.0(4) . .
C92 C88 C85 122.5(4) . .
C88 C89 C90 124.2(5) . .
C88 C89 H89A 117.9 . .
C90 C89 H89A 117.9 . .
N8 C90 C89 120.9(5) . .
N8 C90 H90A 119.6 . .
C89 C90 H90A 119.6 . .
N8 C91 C92 123.4(4) . .
N8 C91 H91A 118.3 . .
C92 C91 H91A 118.3 . .
C91 C92 C88 119.7(4) . .
C91 C92 H92A 120.2 . .
C88 C92 H92A 120.2 . .
O1 C93 O2 122.6(4) . .
O1 C93 C94 117.8(4) . .
O2 C93 C94 119.5(4) . .
O1 C93 Cd1 59.5(2) . .
O2 C93 Cd1 63.2(2) . .
C94 C93 Cd1 177.1(3) . .
C95 C94 C103 120.8(4) . .
C95 C94 C93 115.3(4) . .
C103 C94 C93 123.8(4) . .
C94 C95 C96 119.8(4) . .
C94 C95 H95A 120.1 . .
C96 C95 H95A 120.1 . .
C97 C96 C95 120.6(4) . .
C97 C96 H96A 119.7 . .
C95 C96 H96A 119.7 . .
C96 C97 C98 121.4(4) . .
C96 C97 C104 116.4(4) . .
C98 C97 C104 121.9(4) . .
C97 C98 C99 123.9(4) . .
C97 C98 C103 118.7(4) . .
C99 C98 C103 117.3(4) . .
C100 C99 C98 122.3(4) . .
C100 C99 H99A 118.8 . .
C98 C99 H99A 118.8 . .
C99 C100 C101 119.4(4) . .
C99 C100 H10B 120.3 . .
C101 C100 H10B 120.3 . .
C102 C101 C100 121.8(4) . .
C102 C101 H10C 119.1 . .
C100 C101 H10C 119.1 . .
C101 C102 C103 119.9(4) . .
C101 C102 H10D 120.0 . .
C103 C102 H10D 120.0 . .
C102 C103 C94 121.9(4) . .
C102 C103 C98 119.2(4) . .
C94 C103 C98 118.6(4) . .
O3 C104 O4 124.0(4) . .
O3 C104 C97 120.5(4) . .
O4 C104 C97 115.5(4) . .
O6 C105 O5 124.2(4) . .
O6 C105 C106 118.6(5) . .
O5 C105 C106 117.2(4) . .
O6 C105 Cd4 61.2(2) . 4
O5 C105 Cd4 63.5(2) . 4
C106 C105 Cd4 171.5(3) . 4
C115 C106 C107 120.9(4) . .
C115 C106 C105 119.6(4) . .
C107 C106 C105 119.4(4) . .
C106 C107 C108 122.0(4) . .
C106 C107 C112 118.8(4) . .
C108 C107 C112 119.1(4) . .
C109 C108 C107 120.8(4) . .
C109 C108 H10E 119.6 . .
C107 C108 H10E 119.6 . .
C108 C109 C110 120.6(4) . .
C108 C109 H10F 119.7 . .
C110 C109 H10F 119.7 . .
C111 C110 C109 121.4(4) . .
C111 C110 H11B 119.3 . .
C109 C110 H11B 119.3 . .
C110 C111 C112 121.1(4) . .
C110 C111 H11C 119.4 . .
C112 C111 H11C 119.4 . .
C113 C112 C111 123.5(4) . .
C113 C112 C107 119.3(4) . .
C111 C112 C107 117.0(4) . .
C112 C113 C114 119.4(4) . .
C112 C113 C116 124.9(4) . .
C114 C113 C116 115.6(4) . .
C115 C114 C113 120.3(4) . .
C115 C114 H11D 119.8 . .
C113 C114 H11D 119.8 . .
C106 C115 C114 121.2(4) . .
C106 C115 H11E 119.4 . .
C114 C115 H11E 119.4 . .
O7 C116 O8 123.7(4) . .
O7 C116 C113 117.8(4) . .
O8 C116 C113 118.5(4) . .
O10 C117 O9 122.7(4) . .
O10 C117 C118 117.5(4) . .
O9 C117 C118 119.8(4) . .
O10 C117 Cd3 59.6(2) . .
O9 C117 Cd3 63.1(2) . .
C118 C117 Cd3 175.1(3) . .
C127 C118 C119 120.4(4) . .
C127 C118 C117 115.4(4) . .
C119 C118 C117 124.1(4) . .
C120 C119 C118 123.9(4) . .
C120 C119 C124 118.1(4) . .
C118 C119 C124 118.0(4) . .
C121 C120 C119 123.2(4) . .
C121 C120 H12A 118.4 . .
C119 C120 H12A 118.4 . .
C120 C121 C122 119.4(5) . .
C120 C121 H12B 120.3 . .
C122 C121 H12B 120.3 . .
C123 C122 C121 120.0(5) . .
C123 C122 H12C 120.0 . .
C121 C122 H12C 120.0 . .
C122 C123 C124 123.2(4) . .
C122 C123 H12D 118.4 . .
C124 C123 H12D 118.4 . .
C125 C124 C123 125.1(4) . .
C125 C124 C119 118.8(4) . .
C123 C124 C119 116.1(4) . .
C126 C125 C124 120.3(4) . .
C126 C125 C128 116.5(4) . .
C124 C125 C128 123.1(4) . .
C125 C126 C127 121.5(5) . .
C125 C126 H12E 119.3 . .
C127 C126 H12E 119.3 . .
C118 C127 C126 120.8(4) . .
C118 C127 H12F 119.6 . .
C126 C127 H12F 119.6 . .
O11 C128 O12 120.9(4) . .
O11 C128 C125 122.2(4) . .
O12 C128 C125 116.9(4) . .
O14 C129 O13 123.3(4) . .
O14 C129 C130 121.0(4) . .
O13 C129 C130 115.7(4) . .
O14 C129 Cd2 66.1(2) . .
O13 C129 Cd2 57.4(2) . .
C130 C129 Cd2 170.8(3) . .
C131 C130 C139 119.2(4) . .
C131 C130 C129 116.7(4) . .
C139 C130 C129 124.0(4) . .
C130 C131 C132 122.1(4) . .
C130 C131 H13A 119.0 . .
C132 C131 H13A 119.0 . .
C133 C132 C131 120.5(4) . .
C133 C132 H13B 119.8 . .
C131 C132 H13B 119.8 . .
C132 C133 C134 120.3(4) . .
C132 C133 C140 116.1(4) . .
C134 C133 C140 123.5(4) . .
C139 C134 C135 118.6(4) . .
C139 C134 C133 118.2(4) . .
C135 C134 C133 123.2(4) . .
C136 C135 C134 120.5(4) . .
C136 C135 H13C 119.8 . .
C134 C135 H13C 119.8 . .
C135 C136 C137 121.5(4) . .
C135 C136 H13D 119.2 . .
C137 C136 H13D 119.2 . .
C138 C137 C136 120.4(5) . .
C138 C137 H13E 119.8 . .
C136 C137 H13E 119.8 . .
C137 C138 C139 120.3(4) . .
C137 C138 H13F 119.8 . .
C139 C138 H13F 119.8 . .
C134 C139 C138 118.7(4) . .
C134 C139 C130 119.7(4) . .
C138 C139 C130 121.6(4) . .
O16 C140 O15 120.5(4) . .
O16 C140 C133 121.8(4) . .
O15 C140 C133 117.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O3 2.258(3) 2_554
Cd1 O7 2.265(3) .
Cd1 O1 2.325(3) .
Cd1 N8 2.333(3) .
Cd1 N5 2.395(3) 3_545
Cd1 O2 2.405(3) .
Cd1 C93 2.695(4) .
Cd2 O4 2.248(3) 3_455
Cd2 N2 2.296(4) 3
Cd2 O8 2.303(3) 4_455
Cd2 O13 2.304(3) .
Cd2 N3 2.364(3) .
Cd2 O14 2.499(3) .
Cd2 C129 2.727(4) .
Cd3 N6 2.288(3) .
Cd3 N7 2.346(4) 3_445
Cd3 O10 2.373(3) .
Cd3 O11 2.387(3) 2_554
Cd3 O15 2.391(3) .
Cd3 O9 2.449(3) .
Cd3 O12 2.465(3) 2_554
Cd3 C117 2.746(4) .
Cd4 N4 2.294(3) 2_554
Cd4 N1 2.315(3) 4_554
Cd4 O12 2.369(3) 2_554
Cd4 O6 2.391(3) 4_454
Cd4 O16 2.409(3) .
Cd4 O5 2.441(3) 4_454
Cd4 O15 2.483(3) .
Cd4 C105 2.727(5) 4_454
O1 C93 1.244(5) .
O2 C93 1.278(5) .
O3 C104 1.235(5) .
O3 Cd1 2.258(3) 2
O4 C104 1.284(5) .
O4 Cd2 2.248(3) 3_545
O5 C105 1.261(6) .
O5 Cd4 2.441(3) 4
O6 C105 1.239(6) .
O6 Cd4 2.391(3) 4
O7 C116 1.256(5) .
O8 C116 1.263(5) .
O8 Cd2 2.303(3) 4_554
O9 C117 1.268(6) .
O10 C117 1.251(6) .
O11 C128 1.239(5) .
O11 Cd3 2.387(3) 2
O12 C128 1.286(6) .
O12 Cd4 2.369(3) 2
O12 Cd3 2.465(3) 2
O13 C129 1.275(5) .
O14 C129 1.257(5) .
O15 C140 1.284(5) .
O16 C140 1.252(5) .
N1 C1 1.348(6) .
N1 C5 1.358(6) .
N1 Cd4 2.315(3) 4_455
N2 C22 1.342(6) .
N2 C23 1.354(6) .
N2 Cd2 2.296(4) 3_445
N3 C34 1.325(6) .
N3 C33 1.335(6) .
N4 C44 1.311(6) .
N4 C45 1.346(6) .
N4 Cd4 2.294(3) 2
N5 C47 1.323(6) .
N5 C51 1.343(6) .
N5 Cd1 2.395(3) 3_455
N6 C69 1.308(6) .
N6 C68 1.354(6) .
N7 C79 1.334(6) .
N7 C80 1.353(6) .
N7 Cd3 2.346(4) 3
N8 C90 1.314(6) .
N8 C91 1.344(6) .
C1 C2 1.404(7) .
C1 H1A 0.9300 .
C2 C3 1.420(7) .
C2 H2A 0.9300 .
C3 C4 1.395(6) .
C3 C6 1.478(6) .
C4 C5 1.384(6) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.388(6) .
C6 C11 1.395(7) .
C7 C8 1.381(6) .
C7 H7A 0.9300 .
C8 C9 1.395(6) .
C8 H8A 0.9300 .
C9 C10 1.384(6) .
C9 C12 1.508(6) .
C10 C11 1.387(6) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.372(6) .
C12 C25 1.497(6) .
C13 C36 1.474(6) .
C13 C14 1.481(6) .
C14 C15 1.392(6) .
C14 C19 1.398(6) .
C15 C16 1.391(6) .
C15 H15A 0.9300 .
C16 C17 1.416(6) .
C16 H16A 0.9300 .
C17 C18 1.371(6) .
C17 C20 1.490(6) .
C18 C19 1.405(6) .
C18 H18A 0.9300 .
C19 H19A 0.9300 .
C20 C21 1.371(6) .
C20 C24 1.450(6) .
C21 C22 1.384(6) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.390(6) .
C23 H23A 0.9300 .
C24 H24 0.9300 .
C25 C26 1.384(6) .
C25 C30 1.404(6) .
C26 C27 1.419(6) .
C26 H26A 0.9300 .
C27 C28 1.370(6) .
C27 H27A 0.9300 .
C28 C29 1.370(6) .
C28 C31 1.516(6) .
C29 C30 1.397(6) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 C35 1.382(6) .
C31 C32 1.389(7) .
C32 C33 1.382(6) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
C34 C35 1.398(6) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 C37 1.383(6) .
C36 C41 1.390(6) .
C37 C38 1.377(6) .
C37 H37A 0.9300 .
C38 C39 1.380(6) .
C38 H38A 0.9300 .
C39 C40 1.386(6) .
C39 C42 1.505(6) .
C40 C41 1.381(6) .
C40 H40A 0.9300 .
C41 H41A 0.9300 .
C42 C43 1.368(7) .
C42 C46 1.406(7) .
C43 C44 1.410(6) .
C43 H43A 0.9300 .
C44 H44A 0.9300 .
C45 C46 1.368(7) .
C45 H45A 0.9300 .
C46 H46A 0.9300 .
C47 C48 1.410(6) .
C47 H47A 0.9300 .
C48 C49 1.357(6) .
C48 H48A 0.9300 .
C49 C50 1.384(6) .
C49 C52 1.500(6) .
C50 C51 1.350(6) .
C50 H50A 0.9300 .
C51 H51A 0.9300 .
C52 C53 1.392(6) .
C52 C54 1.403(6) .
C53 C57 1.398(6) .
C53 H53A 0.9300 .
C54 C55 1.384(6) .
C54 H54A 0.9300 .
C55 C56 1.398(6) .
C55 H55A 0.9300 .
C56 C57 1.375(6) .
C56 C58 1.506(6) .
C57 H57A 0.9300 .
C58 C59 1.354(6) .
C58 C71 1.501(6) .
C59 C82 1.501(6) .
C59 C60 1.504(6) .
C60 C61 1.380(6) .
C60 C65 1.383(6) .
C61 C62 1.375(6) .
C61 H61A 0.9300 .
C62 C63 1.354(6) .
C62 H62A 0.9300 .
C63 C64 1.416(6) .
C63 C66 1.478(6) .
C64 C65 1.371(6) .
C64 H64A 0.9300 .
C65 H65A 0.9300 .
C66 C67 1.382(7) .
C66 C70 1.392(6) .
C67 C68 1.384(7) .
C67 H67A 0.9300 .
C68 H68A 0.9300 .
C69 C70 1.399(6) .
C69 H69A 0.9300 .
C70 H70A 0.9300 .
C71 C72 1.389(6) .
C71 C76 1.399(6) .
C72 C73 1.379(6) .
C72 H72A 0.9300 .
C73 C74 1.400(6) .
C73 H73A 0.9300 .
C74 C75 1.397(6) .
C74 C77 1.503(6) .
C75 C76 1.372(6) .
C75 H75A 0.9300 .
C76 H76A 0.9300 .
C77 C78 1.392(6) .
C77 C81 1.398(6) .
C78 C79 1.372(6) .
C78 H78A 0.9300 .
C79 H79A 0.9300 .
C80 C81 1.346(7) .
C80 H80A 0.9300 .
C81 H81A 0.9300 .
C82 C83 1.372(6) .
C82 C87 1.411(6) .
C83 C84 1.400(6) .
C83 H83A 0.9300 .
C84 C85 1.401(6) .
C84 H84A 0.9300 .
C85 C86 1.427(7) .
C85 C88 1.467(6) .
C86 C87 1.385(6) .
C86 H86A 0.9300 .
C87 H87A 0.9300 .
C88 C89 1.327(7) .
C88 C92 1.423(6) .
C89 C90 1.408(7) .
C89 H89A 0.9300 .
C90 H90A 0.9300 .
C91 C92 1.381(6) .
C91 H91A 0.9300 .
C92 H92A 0.9300 .
C93 C94 1.508(6) .
C94 C95 1.372(6) .
C94 C103 1.433(6) .
C95 C96 1.425(6) .
C95 H95A 0.9300 .
C96 C97 1.364(6) .
C96 H96A 0.9300 .
C97 C98 1.411(6) .
C97 C104 1.526(6) .
C98 C99 1.415(6) .
C98 C103 1.437(6) .
C99 C100 1.369(6) .
C99 H99A 0.9300 .
C100 C101 1.394(6) .
C100 H10B 0.9300 .
C101 C102 1.363(6) .
C101 H10C 0.9300 .
C102 C103 1.428(6) .
C102 H10D 0.9300 .
C105 C106 1.522(6) .
C105 Cd4 2.727(5) 4
C106 C115 1.363(6) .
C106 C107 1.426(6) .
C107 C108 1.429(6) .
C107 C112 1.441(6) .
C108 C109 1.350(6) .
C108 H10E 0.9300 .
C109 C110 1.391(7) .
C109 H10F 0.9300 .
C110 C111 1.358(6) .
C110 H11B 0.9300 .
C111 C112 1.431(6) .
C111 H11C 0.9300 .
C112 C113 1.414(7) .
C113 C114 1.422(6) .
C113 C116 1.499(6) .
C114 C115 1.398(6) .
C114 H11D 0.9300 .
C115 H11E 0.9300 .
C117 C118 1.508(6) .
C118 C127 1.374(6) .
C118 C119 1.431(6) .
C119 C120 1.408(6) .
C119 C124 1.458(6) .
C120 C121 1.339(7) .
C120 H12A 0.9300 .
C121 C122 1.424(7) .
C121 H12B 0.9300 .
C122 C123 1.337(7) .
C122 H12C 0.9300 .
C123 C124 1.430(6) .
C123 H12D 0.9300 .
C124 C125 1.420(6) .
C125 C126 1.368(6) .
C125 C128 1.517(6) .
C126 C127 1.397(6) .
C126 H12E 0.9300 .
C127 H12F 0.9300 .
C129 C130 1.507(6) .
C130 C131 1.364(6) .
C130 C139 1.447(6) .
C131 C132 1.401(6) .
C131 H13A 0.9300 .
C132 C133 1.365(6) .
C132 H13B 0.9300 .
C133 C134 1.459(6) .
C133 C140 1.503(6) .
C134 C139 1.410(6) .
C134 C135 1.416(6) .
C135 C136 1.356(6) .
C135 H13C 0.9300 .
C136 C137 1.387(7) .
C136 H13D 0.9300 .
C137 C138 1.348(7) .
C137 H13E 0.9300 .
C138 C139 1.442(6) .
C138 H13F 0.9300 .
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
O3 Cd1 O1 C93 175.1(3) 2_554
O7 Cd1 O1 C93 52.3(9) .
N8 Cd1 O1 C93 -82.5(3) .
N5 Cd1 O1 C93 84.9(3) 3_545
O2 Cd1 O1 C93 0.9(2) .
O3 Cd1 O2 C93 -10.7(3) 2_554
O7 Cd1 O2 C93 -174.2(2) .
O1 Cd1 O2 C93 -0.8(2) .
N8 Cd1 O2 C93 92.3(2) .
N5 Cd1 O2 C93 -92.5(2) 3_545
O3 Cd1 O7 C116 119.3(3) 2_554
O1 Cd1 O7 C116 -118.3(8) .
N8 Cd1 O7 C116 16.2(3) .
N5 Cd1 O7 C116 -151.0(3) 3_545
O2 Cd1 O7 C116 -70.4(3) .
C93 Cd1 O7 C116 -75.5(4) .
N6 Cd3 O9 C117 -88.2(3) .
N7 Cd3 O9 C117 98.5(3) 3_445
O10 Cd3 O9 C117 -1.1(2) .
O11 Cd3 O9 C117 19.7(3) 2_554
O15 Cd3 O9 C117 -177.7(2) .
O12 Cd3 O9 C117 167.7(5) 2_554
N6 Cd3 O10 C117 90.1(3) .
N7 Cd3 O10 C117 -77.6(3) 3_445
O11 Cd3 O10 C117 -164.4(3) 2_554
O15 Cd3 O10 C117 8.1(4) .
O9 Cd3 O10 C117 1.1(2) .
O12 Cd3 O10 C117 -175.8(2) 2_554
O4 Cd2 O13 C129 11.9(5) 3_455
N2 Cd2 O13 C129 -94.1(3) 3
O8 Cd2 O13 C129 163.8(2) 4_455
N3 Cd2 O13 C129 78.3(3) .
O14 Cd2 O13 C129 -2.6(2) .
O4 Cd2 O14 C129 -172.4(2) 3_455
N2 Cd2 O14 C129 88.0(2) 3
O8 Cd2 O14 C129 -25.1(3) 4_455
O13 Cd2 O14 C129 2.6(2) .
N3 Cd2 O14 C129 -89.1(2) .
N6 Cd3 O15 C140 -40.8(7) .
N7 Cd3 O15 C140 128.1(7) 3_445
O10 Cd3 O15 C140 40.0(8) .
O11 Cd3 O15 C140 -149.0(6) 2_554
O9 Cd3 O15 C140 45.8(7) .
O12 Cd3 O15 C140 -137.1(7) 2_554
C117 Cd3 O15 C140 44.5(7) .
N6 Cd3 O15 Cd4 93.85(13) .
N7 Cd3 O15 Cd4 -97.27(13) 3_445
O10 Cd3 O15 Cd4 174.69(17) .
O11 Cd3 O15 Cd4 -14.34(16) 2_554
O9 Cd3 O15 Cd4 -179.57(11) .
O12 Cd3 O15 Cd4 -2.48(11) 2_554
C117 Cd3 O15 Cd4 179.17(12) .
N4 Cd4 O15 C140 -102.1(2) 2_554
N1 Cd4 O15 C140 80.7(2) 4_554
O12 Cd4 O15 C140 166.1(2) 2_554
O6 Cd4 O15 C140 -3.9(3) 4_454
O16 Cd4 O15 C140 -7.8(2) .
O5 Cd4 O15 C140 148.5(6) 4_454
C105 Cd4 O15 C140 10.6(5) 4_454
N4 Cd4 O15 Cd3 94.42(13) 2_554
N1 Cd4 O15 Cd3 -82.86(14) 4_554
O12 Cd4 O15 Cd3 2.59(11) 2_554
O6 Cd4 O15 Cd3 -167.46(11) 4_454
O16 Cd4 O15 Cd3 -171.31(17) .
O5 Cd4 O15 Cd3 -15.0(6) 4_454
C105 Cd4 O15 Cd3 -152.9(3) 4_454
N4 Cd4 O16 C140 97.3(3) 2_554
N1 Cd4 O16 C140 -83.9(3) 4_554
O12 Cd4 O16 C140 0.9(3) 2_554
O6 Cd4 O16 C140 -169.2(3) 4_454
O5 Cd4 O16 C140 -165.9(2) 4_454
O15 Cd4 O16 C140 8.0(2) .
C105 Cd4 O16 C140 -165.8(2) 4_454
O4 Cd2 N3 C34 -168.0(3) 3_455
N2 Cd2 N3 C34 70.6(8) 3
O8 Cd2 N3 C34 -68.1(3) 4_455
O13 Cd2 N3 C34 29.7(3) .
O14 Cd2 N3 C34 85.0(3) .
C129 Cd2 N3 C34 57.2(3) .
O4 Cd2 N3 C33 15.2(4) 3_455
N2 Cd2 N3 C33 -106.3(7) 3
O8 Cd2 N3 C33 115.1(4) 4_455
O13 Cd2 N3 C33 -147.1(4) .
O14 Cd2 N3 C33 -91.8(4) .
C129 Cd2 N3 C33 -119.6(4) .
N7 Cd3 N6 C69 -58.5(8) 3_445
O10 Cd3 N6 C69 -145.8(4) .
O11 Cd3 N6 C69 132.2(3) 2_554
O15 Cd3 N6 C69 6.0(4) .
O9 Cd3 N6 C69 -91.1(4) .
O12 Cd3 N6 C69 78.1(4) 2_554
C117 Cd3 N6 C69 -118.7(4) .
N7 Cd3 N6 C68 117.7(7) 3_445
O10 Cd3 N6 C68 30.4(4) .
O11 Cd3 N6 C68 -51.7(4) 2_554
O15 Cd3 N6 C68 -177.9(4) .
O9 Cd3 N6 C68 85.0(4) .
O12 Cd3 N6 C68 -105.8(4) 2_554
C117 Cd3 N6 C68 57.5(4) .
O3 Cd1 N8 C90 -18.0(4) 2_554
O7 Cd1 N8 C90 78.7(4) .
O1 Cd1 N8 C90 -106.5(4) .
N5 Cd1 N8 C90 176.1(5) 3_545
O2 Cd1 N8 C90 -162.2(4) .
C93 Cd1 N8 C90 -133.8(4) .
O3 Cd1 N8 C91 162.5(3) 2_554
O7 Cd1 N8 C91 -100.8(4) .
O1 Cd1 N8 C91 74.0(4) .
N5 Cd1 N8 C91 -3.4(8) 3_545
O2 Cd1 N8 C91 18.3(3) .
C93 Cd1 N8 C91 46.7(4) .
C5 N1 C1 C2 0.0(7) .
Cd4 N1 C1 C2 -170.3(4) 4_455
N1 C1 C2 C3 0.0(8) .
C1 C2 C3 C4 -0.3(7) .
C1 C2 C3 C6 176.8(4) .
C2 C3 C4 C5 0.6(7) .
C6 C3 C4 C5 -176.5(4) .
C1 N1 C5 C4 0.2(7) .
Cd4 N1 C5 C4 171.1(4) 4_455
C3 C4 C5 N1 -0.5(7) .
C4 C3 C6 C7 -33.7(6) .
C2 C3 C6 C7 149.3(5) .
C4 C3 C6 C11 146.7(5) .
C2 C3 C6 C11 -30.2(7) .
C11 C6 C7 C8 -3.6(7) .
C3 C6 C7 C8 176.8(4) .
C6 C7 C8 C9 1.3(6) .
C7 C8 C9 C10 1.6(6) .
C7 C8 C9 C12 178.8(4) .
C8 C9 C10 C11 -2.2(7) .
C12 C9 C10 C11 -179.5(4) .
C9 C10 C11 C6 -0.1(7) .
C7 C6 C11 C10 3.0(7) .
C3 C6 C11 C10 -177.4(4) .
C10 C9 C12 C13 -139.5(5) .
C8 C9 C12 C13 43.3(6) .
C10 C9 C12 C25 43.9(5) .
C8 C9 C12 C25 -133.3(4) .
C25 C12 C13 C36 6.6(6) .
C9 C12 C13 C36 -169.7(4) .
C25 C12 C13 C14 -176.8(4) .
C9 C12 C13 C14 6.9(7) .
C12 C13 C14 C15 -132.6(5) .
C36 C13 C14 C15 44.3(5) .
C12 C13 C14 C19 48.4(6) .
C36 C13 C14 C19 -134.7(4) .
C19 C14 C15 C16 -6.2(6) .
C13 C14 C15 C16 174.8(4) .
C14 C15 C16 C17 1.2(7) .
C15 C16 C17 C18 4.3(6) .
C15 C16 C17 C20 -174.1(4) .
C16 C17 C18 C19 -4.8(6) .
C20 C17 C18 C19 173.6(4) .
C15 C14 C19 C18 5.6(6) .
C13 C14 C19 C18 -175.4(4) .
C17 C18 C19 C14 -0.1(6) .
C18 C17 C20 C21 16.1(7) .
C16 C17 C20 C21 -165.5(4) .
C18 C17 C20 C24 -157.8(4) .
C16 C17 C20 C24 20.6(6) .
C24 C20 C21 C22 0.6(6) .
C17 C20 C21 C22 -173.4(4) .
C23 N2 C22 C21 -1.7(7) .
Cd2 N2 C22 C21 179.3(3) 3_445
C20 C21 C22 N2 -1.1(7) .
C22 N2 C23 C24 5.2(7) .
Cd2 N2 C23 C24 -175.8(4) 3_445
N2 C23 C24 C20 -5.6(7) .
C21 C20 C24 C23 2.4(7) .
C17 C20 C24 C23 176.7(4) .
C13 C12 C25 C26 -128.6(5) .
C9 C12 C25 C26 48.1(6) .
C13 C12 C25 C30 54.5(6) .
C9 C12 C25 C30 -128.9(4) .
C30 C25 C26 C27 -3.2(7) .
C12 C25 C26 C27 179.8(4) .
C25 C26 C27 C28 0.6(7) .
C26 C27 C28 C29 2.1(7) .
C26 C27 C28 C31 -175.4(4) .
C27 C28 C29 C30 -2.0(7) .
C31 C28 C29 C30 175.4(4) .
C28 C29 C30 C25 -0.7(7) .
C26 C25 C30 C29 3.2(7) .
C12 C25 C30 C29 -179.8(4) .
C29 C28 C31 C35 -37.5(7) .
C27 C28 C31 C35 140.0(5) .
C29 C28 C31 C32 144.4(5) .
C27 C28 C31 C32 -38.1(7) .
C35 C31 C32 C33 1.4(7) .
C28 C31 C32 C33 179.6(4) .
C34 N3 C33 C32 2.6(7) .
Cd2 N3 C33 C32 179.5(4) .
C31 C32 C33 N3 -2.8(8) .
C33 N3 C34 C35 -1.1(7) .
Cd2 N3 C34 C35 -178.2(4) .
C32 C31 C35 C34 0.0(7) .
C28 C31 C35 C34 -178.2(4) .
N3 C34 C35 C31 -0.2(8) .
C12 C13 C36 C37 -125.6(5) .
C14 C13 C36 C37 57.4(6) .
C12 C13 C36 C41 61.2(6) .
C14 C13 C36 C41 -115.7(5) .
C41 C36 C37 C38 -2.8(7) .
C13 C36 C37 C38 -176.2(4) .
C36 C37 C38 C39 1.7(8) .
C37 C38 C39 C40 1.2(7) .
C37 C38 C39 C42 179.7(5) .
C38 C39 C40 C41 -2.9(7) .
C42 C39 C40 C41 178.5(4) .
C39 C40 C41 C36 1.8(7) .
C37 C36 C41 C40 1.0(6) .
C13 C36 C41 C40 174.4(4) .
C38 C39 C42 C43 -136.8(5) .
C40 C39 C42 C43 41.8(7) .
C38 C39 C42 C46 46.1(7) .
C40 C39 C42 C46 -135.3(5) .
C46 C42 C43 C44 1.1(7) .
C39 C42 C43 C44 -176.1(4) .
C45 N4 C44 C43 -1.4(7) .
Cd4 N4 C44 C43 178.3(4) 2
C42 C43 C44 N4 0.8(8) .
C44 N4 C45 C46 0.1(7) .
Cd4 N4 C45 C46 -179.6(4) 2
N4 C45 C46 C42 1.7(8) .
C43 C42 C46 C45 -2.3(7) .
C39 C42 C46 C45 174.9(5) .
C51 N5 C47 C48 0.3(6) .
Cd1 N5 C47 C48 -179.1(3) 3_455
N5 C47 C48 C49 1.0(7) .
C47 C48 C49 C50 -1.2(6) .
C47 C48 C49 C52 178.2(4) .
C48 C49 C50 C51 0.2(7) .
C52 C49 C50 C51 -179.2(4) .
C47 N5 C51 C50 -1.4(7) .
Cd1 N5 C51 C50 178.1(4) 3_455
C49 C50 C51 N5 1.1(7) .
C48 C49 C52 C53 146.4(5) .
C50 C49 C52 C53 -34.3(6) .
C48 C49 C52 C54 -35.9(6) .
C50 C49 C52 C54 143.5(5) .
C54 C52 C53 C57 -2.9(7) .
C49 C52 C53 C57 174.9(4) .
C53 C52 C54 C55 2.7(7) .
C49 C52 C54 C55 -175.1(4) .
C52 C54 C55 C56 0.3(7) .
C54 C55 C56 C57 -3.2(7) .
C54 C55 C56 C58 173.9(4) .
C55 C56 C57 C53 3.0(7) .
C58 C56 C57 C53 -174.1(4) .
C52 C53 C57 C56 0.0(7) .
C57 C56 C58 C59 48.3(6) .
C55 C56 C58 C59 -128.7(5) .
C57 C56 C58 C71 -132.7(4) .
C55 C56 C58 C71 50.3(6) .
C71 C58 C59 C82 7.9(6) .
C56 C58 C59 C82 -173.2(4) .
C71 C58 C59 C60 -167.7(4) .
C56 C58 C59 C60 11.2(7) .
C58 C59 C60 C61 45.9(6) .
C82 C59 C60 C61 -130.1(4) .
C58 C59 C60 C65 -139.1(5) .
C82 C59 C60 C65 44.9(6) .
C65 C60 C61 C62 -2.0(7) .
C59 C60 C61 C62 173.3(4) .
C60 C61 C62 C63 0.8(7) .
C61 C62 C63 C64 0.0(7) .
C61 C62 C63 C66 -175.8(4) .
C62 C63 C64 C65 0.5(7) .
C66 C63 C64 C65 176.3(4) .
C63 C64 C65 C60 -1.8(7) .
C61 C60 C65 C64 2.5(7) .
C59 C60 C65 C64 -172.7(4) .
C62 C63 C66 C67 142.1(6) .
C64 C63 C66 C67 -33.5(7) .
C62 C63 C66 C70 -35.0(7) .
C64 C63 C66 C70 149.5(5) .
C70 C66 C67 C68 1.0(8) .
C63 C66 C67 C68 -176.1(5) .
C69 N6 C68 C67 -0.9(9) .
Cd3 N6 C68 C67 -177.3(5) .
C66 C67 C68 N6 -0.1(10) .
C68 N6 C69 C70 1.1(7) .
Cd3 N6 C69 C70 177.4(4) .
C67 C66 C70 C69 -0.9(7) .
C63 C66 C70 C69 176.4(4) .
N6 C69 C70 C66 -0.2(7) .
C59 C58 C71 C72 -135.7(5) .
C56 C58 C71 C72 45.3(6) .
C59 C58 C71 C76 47.3(6) .
C56 C58 C71 C76 -131.7(4) .
C76 C71 C72 C73 -2.6(6) .
C58 C71 C72 C73 -179.7(4) .
C71 C72 C73 C74 1.8(7) .
C72 C73 C74 C75 0.7(6) .
C72 C73 C74 C77 179.6(4) .
C73 C74 C75 C76 -2.5(6) .
C77 C74 C75 C76 178.7(4) .
C74 C75 C76 C71 1.7(6) .
C72 C71 C76 C75 0.9(6) .
C58 C71 C76 C75 177.9(4) .
C75 C74 C77 C78 155.6(4) .
C73 C74 C77 C78 -23.1(6) .
C75 C74 C77 C81 -26.1(7) .
C73 C74 C77 C81 155.1(5) .
C81 C77 C78 C79 -0.1(7) .
C74 C77 C78 C79 178.2(4) .
C80 N7 C79 C78 1.7(7) .
Cd3 N7 C79 C78 -169.8(4) 3
C77 C78 C79 N7 -0.7(8) .
C79 N7 C80 C81 -2.1(7) .
Cd3 N7 C80 C81 169.4(4) 3
N7 C80 C81 C77 1.4(8) .
C78 C77 C81 C80 -0.3(7) .
C74 C77 C81 C80 -178.6(5) .
C58 C59 C82 C83 -129.2(5) .
C60 C59 C82 C83 46.9(5) .
C58 C59 C82 C87 52.3(6) .
C60 C59 C82 C87 -131.7(4) .
C87 C82 C83 C84 -5.3(6) .
C59 C82 C83 C84 176.1(4) .
C82 C83 C84 C85 1.6(7) .
C83 C84 C85 C86 2.9(7) .
C83 C84 C85 C88 -175.1(4) .
C84 C85 C86 C87 -3.7(6) .
C88 C85 C86 C87 174.2(4) .
C85 C86 C87 C82 0.1(7) .
C83 C82 C87 C86 4.4(6) .
C59 C82 C87 C86 -177.1(4) .
C84 C85 C88 C89 18.1(8) .
C86 C85 C88 C89 -159.8(5) .
C84 C85 C88 C92 -165.6(4) .
C86 C85 C88 C92 16.4(7) .
C92 C88 C89 C90 -0.9(9) .
C85 C88 C89 C90 175.6(6) .
C91 N8 C90 C89 3.2(8) .
Cd1 N8 C90 C89 -176.4(5) .
C88 C89 C90 N8 -1.7(10) .
C90 N8 C91 C92 -2.3(7) .
Cd1 N8 C91 C92 177.2(3) .
N8 C91 C92 C88 -0.2(7) .
C89 C88 C92 C91 1.7(7) .
C85 C88 C92 C91 -174.8(4) .
Cd1 O1 C93 O2 -1.6(4) .
Cd1 O1 C93 C94 -179.0(3) .
Cd1 O2 C93 O1 1.5(4) .
Cd1 O2 C93 C94 178.9(3) .
O3 Cd1 C93 O1 -5.5(3) 2_554
O7 Cd1 C93 O1 -169.1(2) .
N8 Cd1 C93 O1 96.3(3) .
N5 Cd1 C93 O1 -93.6(3) 3_545
O2 Cd1 C93 O1 -178.5(4) .
O3 Cd1 C93 O2 173.0(2) 2_554
O7 Cd1 C93 O2 9.5(4) .
O1 Cd1 C93 O2 178.5(4) .
N8 Cd1 C93 O2 -85.2(2) .
N5 Cd1 C93 O2 85.0(2) 3_545
O3 Cd1 C93 C94 13(6) 2_554
O7 Cd1 C93 C94 -150(6) .
O1 Cd1 C93 C94 19(6) .
N8 Cd1 C93 C94 115(6) .
N5 Cd1 C93 C94 -75(6) 3_545
O2 Cd1 C93 C94 -160(6) .
O1 C93 C94 C95 -34.9(6) .
O2 C93 C94 C95 147.7(4) .
Cd1 C93 C94 C95 -53(6) .
O1 C93 C94 C103 142.5(4) .
O2 C93 C94 C103 -35.0(6) .
Cd1 C93 C94 C103 124(6) .
C103 C94 C95 C96 0.0(7) .
C93 C94 C95 C96 177.4(4) .
C94 C95 C96 C97 0.4(7) .
C95 C96 C97 C98 -1.7(7) .
C95 C96 C97 C104 -175.7(4) .
C96 C97 C98 C99 -174.6(4) .
C104 C97 C98 C99 -0.9(7) .
C96 C97 C98 C103 2.5(6) .
C104 C97 C98 C103 176.1(4) .
C97 C98 C99 C100 175.7(4) .
C103 C98 C99 C100 -1.4(6) .
C98 C99 C100 C101 0.9(7) .
C99 C100 C101 C102 0.1(7) .
C100 C101 C102 C103 -0.5(7) .
C101 C102 C103 C94 -174.2(4) .
C101 C102 C103 C98 -0.1(6) .
C95 C94 C103 C102 174.9(4) .
C93 C94 C103 C102 -2.3(7) .
C95 C94 C103 C98 0.8(6) .
C93 C94 C103 C98 -176.4(4) .
C97 C98 C103 C102 -176.2(4) .
C99 C98 C103 C102 1.0(6) .
C97 C98 C103 C94 -2.0(6) .
C99 C98 C103 C94 175.3(4) .
Cd1 O3 C104 O4 30.6(5) 2
Cd1 O3 C104 C97 -151.8(3) 2
Cd2 O4 C104 O3 -125.6(4) 3_545
Cd2 O4 C104 C97 56.7(5) 3_545
C96 C97 C104 O3 -143.1(4) .
C98 C97 C104 O3 42.9(6) .
C96 C97 C104 O4 34.7(6) .
C98 C97 C104 O4 -139.3(4) .
Cd4 O6 C105 O5 -8.3(5) 4
Cd4 O6 C105 C106 170.3(3) 4
Cd4 O5 C105 O6 8.1(4) 4
Cd4 O5 C105 C106 -170.5(3) 4
O6 C105 C106 C115 -78.0(6) .
O5 C105 C106 C115 100.6(5) .
Cd4 C105 C106 C115 8(3) 4
O6 C105 C106 C107 98.0(5) .
O5 C105 C106 C107 -83.3(5) .
Cd4 C105 C106 C107 -176(2) 4
C115 C106 C107 C108 175.3(5) .
C105 C106 C107 C108 -0.7(7) .
C115 C106 C107 C112 -1.8(7) .
C105 C106 C107 C112 -177.9(4) .
C106 C107 C108 C109 -175.4(5) .
C112 C107 C108 C109 1.7(7) .
C107 C108 C109 C110 -0.9(7) .
C108 C109 C110 C111 -1.2(8) .
C109 C110 C111 C112 2.4(8) .
C110 C111 C112 C113 172.9(5) .
C110 C111 C112 C107 -1.5(7) .
C106 C107 C112 C113 2.1(7) .
C108 C107 C112 C113 -175.2(4) .
C106 C107 C112 C111 176.7(4) .
C108 C107 C112 C111 -0.5(6) .
C111 C112 C113 C114 -175.9(4) .
C107 C112 C113 C114 -1.6(7) .
C111 C112 C113 C116 0.0(7) .
C107 C112 C113 C116 174.3(4) .
C112 C113 C114 C115 0.8(7) .
C116 C113 C114 C115 -175.4(4) .
C107 C106 C115 C114 1.1(8) .
C105 C106 C115 C114 177.1(5) .
C113 C114 C115 C106 -0.6(8) .
Cd1 O7 C116 O8 -133.1(4) .
Cd1 O7 C116 C113 45.9(5) .
Cd2 O8 C116 O7 29.0(5) 4_554
Cd2 O8 C116 C113 -150.0(3) 4_554
C112 C113 C116 O7 -142.0(5) .
C114 C113 C116 O7 34.0(6) .
C112 C113 C116 O8 37.1(7) .
C114 C113 C116 O8 -146.9(4) .
Cd3 O10 C117 O9 -2.1(5) .
Cd3 O10 C117 C118 175.5(3) .
Cd3 O9 C117 O10 2.0(4) .
Cd3 O9 C117 C118 -175.5(4) .
N6 Cd3 C117 O10 -88.0(3) .
N7 Cd3 C117 O10 102.7(3) 3_445
O11 Cd3 C117 O10 16.4(3) 2_554
O15 Cd3 C117 O10 -175.3(2) .
O9 Cd3 C117 O10 -178.0(4) .
O12 Cd3 C117 O10 10.1(6) 2_554
N6 Cd3 C117 O9 90.0(3) .
N7 Cd3 C117 O9 -79.3(3) 3_445
O10 Cd3 C117 O9 178.0(4) .
O11 Cd3 C117 O9 -165.5(2) 2_554
O15 Cd3 C117 O9 2.7(3) .
O12 Cd3 C117 O9 -171.8(3) 2_554
N6 Cd3 C117 C118 -143(4) .
N7 Cd3 C117 C118 48(4) 3_445
O10 Cd3 C117 C118 -55(4) .
O11 Cd3 C117 C118 -38(4) 2_554
O15 Cd3 C117 C118 130(4) .
O9 Cd3 C117 C118 127(4) .
O12 Cd3 C117 C118 -45(4) 2_554
O10 C117 C118 C127 -31.7(6) .
O9 C117 C118 C127 146.1(4) .
Cd3 C117 C118 C127 21(4) .
O10 C117 C118 C119 151.0(4) .
O9 C117 C118 C119 -31.3(6) .
Cd3 C117 C118 C119 -156(4) .
C127 C118 C119 C120 176.1(4) .
C117 C118 C119 C120 -6.6(7) .
C127 C118 C119 C124 -3.5(6) .
C117 C118 C119 C124 173.8(4) .
C118 C119 C120 C121 179.9(4) .
C124 C119 C120 C121 -0.5(7) .
C119 C120 C121 C122 -1.8(7) .
C120 C121 C122 C123 2.5(7) .
C121 C122 C123 C124 -0.9(7) .
C122 C123 C124 C125 -179.7(4) .
C122 C123 C124 C119 -1.3(7) .
C120 C119 C124 C125 -179.5(4) .
C118 C119 C124 C125 0.1(6) .
C120 C119 C124 C123 2.0(6) .
C118 C119 C124 C123 -178.4(4) .
C123 C124 C125 C126 -179.6(4) .
C119 C124 C125 C126 2.1(6) .
C123 C124 C125 C128 -0.7(7) .
C119 C124 C125 C128 -179.0(4) .
C124 C125 C126 C127 -1.0(7) .
C128 C125 C126 C127 -180.0(4) .
C119 C118 C127 C126 4.7(7) .
C117 C118 C127 C126 -172.7(4) .
C125 C126 C127 C118 -2.5(7) .
Cd3 O11 C128 O12 -8.5(4) 2
Cd3 O11 C128 C125 170.6(4) 2
Cd4 O12 C128 O11 152.1(5) 2
Cd3 O12 C128 O11 8.2(4) 2
Cd4 O12 C128 C125 -27.0(10) 2
Cd3 O12 C128 C125 -170.9(3) 2
C126 C125 C128 O11 159.4(4) .
C124 C125 C128 O11 -19.6(7) .
C126 C125 C128 O12 -21.6(6) .
C124 C125 C128 O12 159.5(4) .
Cd2 O14 C129 O13 -4.7(4) .
Cd2 O14 C129 C130 173.4(4) .
Cd2 O13 C129 O14 5.1(4) .
Cd2 O13 C129 C130 -173.1(3) .
O4 Cd2 C129 O14 10.0(3) 3_455
N2 Cd2 C129 O14 -91.1(2) 3
O8 Cd2 C129 O14 165.1(2) 4_455
O13 Cd2 C129 O14 -175.3(4) .
N3 Cd2 C129 O14 86.3(2) .
O4 Cd2 C129 O13 -174.6(2) 3_455
N2 Cd2 C129 O13 84.3(3) 3
O8 Cd2 C129 O13 -19.5(3) 4_455
N3 Cd2 C129 O13 -98.4(3) .
O14 Cd2 C129 O13 175.3(4) .
O4 Cd2 C129 C130 -131.8(18) 3_455
N2 Cd2 C129 C130 127.1(19) 3
O8 Cd2 C129 C130 23.3(19) 4_455
O13 Cd2 C129 C130 42.8(18) .
N3 Cd2 C129 C130 -55.6(19) .
O14 Cd2 C129 C130 -142(2) .
O14 C129 C130 C131 -144.1(4) .
O13 C129 C130 C131 34.1(6) .
Cd2 C129 C130 C131 -5(2) .
O14 C129 C130 C139 37.8(6) .
O13 C129 C130 C139 -143.9(4) .
Cd2 C129 C130 C139 176.6(16) .
C139 C130 C131 C132 -0.3(6) .
C129 C130 C131 C132 -178.5(4) .
C130 C131 C132 C133 0.3(6) .
C131 C132 C133 C134 0.0(6) .
C131 C132 C133 C140 176.4(4) .
C132 C133 C134 C139 -0.3(6) .
C140 C133 C134 C139 -176.5(4) .
C132 C133 C134 C135 178.7(4) .
C140 C133 C134 C135 2.6(7) .
C139 C134 C135 C136 1.2(7) .
C133 C134 C135 C136 -177.8(4) .
C134 C135 C136 C137 -2.0(8) .
C135 C136 C137 C138 2.4(8) .
C136 C137 C138 C139 -1.9(8) .
C135 C134 C139 C138 -0.7(6) .
C133 C134 C139 C138 178.4(4) .
C135 C134 C139 C130 -178.7(4) .
C133 C134 C139 C130 0.4(6) .
C137 C138 C139 C134 1.1(7) .
C137 C138 C139 C130 179.0(4) .
C131 C130 C139 C134 -0.1(6) .
C129 C130 C139 C134 177.9(4) .
C131 C130 C139 C138 -178.0(4) .
C129 C130 C139 C138 0.0(6) .
Cd4 O16 C140 O15 -14.5(4) .
Cd4 O16 C140 C133 164.3(3) .
Cd3 O15 C140 O16 151.2(5) .
Cd4 O15 C140 O16 14.1(4) .
Cd3 O15 C140 C133 -27.6(9) .
Cd4 O15 C140 C133 -164.8(3) .
C132 C133 C140 O16 160.7(4) .
C134 C133 C140 O16 -23.0(6) .
C132 C133 C140 O15 -20.5(6) .
C134 C133 C140 O15 155.8(4) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.074 0.255 -0.249 9833 1880 ' '
