#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:10:02 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179616 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/80/4508060.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_4508060
loop_
_publ_author_name
'Singh, Ruchi'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Coordination Polymers Built with a Linear Bis-Imidazole and Different
 Dicarboxylates: Unusual Entanglement and Emission Properties
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3722
_journal_paper_doi               10.1021/cg400756z
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C65 H44 Cd2 N12 O12'
_chemical_formula_sum            'C65 H44 Cd2 N12 O12'
_chemical_formula_weight         1409.92
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.996(5)
_cell_angle_beta                 99.977(5)
_cell_angle_gamma                107.559(5)
_cell_formula_units_Z            2
_cell_length_a                   11.857(5)
_cell_length_b                   12.448(3)
_cell_length_c                   22.213(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.78
_cell_volume                     2958.0(16)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-scans
_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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16133
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.9037
_exptl_absorpt_correction_T_min  0.8636
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             1420
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.677
_refine_diff_density_min         -1.187
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         10779
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0699
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1378P)²+6.8575P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1874
_refine_ls_wR_factor_ref         0.2340
_reflns_number_gt                8069
_reflns_number_total             10779
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400756z_si_002.cif
_cod_data_source_block           Complex6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2958.0(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4508060
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd -0.97229(5) 0.57423(4) 0.88858(2) 0.02521(18) Uani 1 1 d .
Cd2 Cd -0.55126(4) 0.41386(4) 0.60484(2) 0.01938(18) Uani 1 1 d .
O1 O -0.8954(4) 0.7175(4) 0.8451(2) 0.0311(11) Uani 1 1 d .
O2 O -0.8654(8) 0.5576(6) 0.8003(4) 0.090(3) Uani 1 1 d .
O3 O -0.5293(4) 0.9385(4) 0.6903(2) 0.0262(11) Uani 1 1 d .
O4 O -0.0807(4) 1.3809(4) 0.8625(2) 0.0269(11) Uani 1 1 d .
O5 O -0.1863(4) 1.4770(4) 0.8181(2) 0.0297(11) Uani 1 1 d .
O6 O -0.3470(4) 0.5144(4) 0.6856(2) 0.0272(11) Uani 1 1 d .
O7 O -0.4496(4) 0.6090(4) 0.6376(2) 0.0244(10) Uani 1 1 d .
O8 O 0.0047(4) 1.0522(4) 0.8053(2) 0.0267(11) Uani 1 1 d .
O9 O 0.2984(5) 1.4155(4) 0.6720(2) 0.0334(12) Uani 1 1 d .
O10 O 0.3662(4) 1.2691(4) 0.6469(2) 0.0235(10) Uani 1 1 d .
O11 O -0.3657(5) 1.5731(6) 0.8431(3) 0.0522(16) Uani 1 1 d D
N1 N -1.0373(5) 0.6896(5) 0.9562(3) 0.0228(12) Uani 1 1 d .
N2 N -1.1233(5) 0.8204(5) 0.9832(3) 0.0227(12) Uani 1 1 d .
N3 N -1.3833(7) 1.1338(7) 0.9812(4) 0.053(2) Uani 1 1 d .
N4 N -1.4470(7) 1.1217(7) 0.9316(4) 0.053(2) Uani 1 1 d .
N5 N -0.6971(6) 0.4479(5) 0.9699(4) 0.0436(18) Uani 1 1 d .
N6 N -0.8162(5) 0.5500(5) 0.9494(3) 0.0365(16) Uani 1 1 d .
N7 N -0.6881(5) 0.4447(5) 0.5316(3) 0.0216(12) Uani 1 1 d .
N8 N -0.8051(5) 0.5405(5) 0.5003(3) 0.0274(13) Uani 1 1 d .
N9 N -0.0872(5) -0.1674(5) 0.5011(3) 0.0313(14) Uani 1 1 d .
N10 N -0.0740(5) -0.0943(5) 0.5509(3) 0.0291(14) Uani 1 1 d .
N11 N -0.3743(5) 0.1783(5) 0.5232(2) 0.0185(11) Uani 1 1 d .
N12 N -0.4675(5) 0.3059(5) 0.5453(3) 0.0222(12) Uani 1 1 d .
C1 C -1.1027(6) 0.7485(5) 0.9346(3) 0.0213(14) Uani 1 1 d .
H1 H -1.1311 0.7418 0.8917 0.026 Uiso 1 1 calc R
C2 C -1.0135(6) 0.7243(6) 1.0221(3) 0.0267(16) Uani 1 1 d .
H2 H -0.9694 0.6962 1.0499 0.032 Uiso 1 1 calc R
C3 C -1.0652(6) 0.8060(6) 1.0394(3) 0.0273(16) Uani 1 1 d .
H3 H -1.0622 0.8445 1.0806 0.033 Uiso 1 1 calc R
C4 C -1.1890(6) 0.8979(6) 0.9776(3) 0.0245(15) Uani 1 1 d .
C5 C -1.1648(7) 0.9935(6) 1.0283(4) 0.0352(18) Uani 1 1 d .
H5 H -1.1034 1.0090 1.0646 0.042 Uiso 1 1 calc R
C6 C -1.2317(7) 1.0664(7) 1.0252(4) 0.0370(19) Uani 1 1 d .
H6 H -1.2154 1.1306 1.0596 0.044 Uiso 1 1 calc R
C7 C -1.3215(7) 1.0454(7) 0.9722(4) 0.0350(18) Uani 1 1 d .
C8 C -1.3449(7) 0.9490(7) 0.9199(4) 0.0375(19) Uani 1 1 d .
H8 H -1.4047 0.9352 0.8831 0.045 Uiso 1 1 calc R
C9 C -1.2792(7) 0.8747(7) 0.9230(4) 0.0323(17) Uani 1 1 d .
H9 H -1.2952 0.8099 0.8888 0.039 Uiso 1 1 calc R
C10 C -0.7657(7) 0.4756(7) 0.9245(5) 0.044(2) Uani 1 1 d .
H10 H -0.7761 0.4462 0.8810 0.053 Uiso 1 1 calc R
C11 C -0.7767(6) 0.5729(7) 1.0140(4) 0.0359(19) Uani 1 1 d .
H11 H -0.7954 0.6239 1.0442 0.043 Uiso 1 1 calc R
C12 C -0.7061(7) 0.5091(7) 1.0264(5) 0.045(2) Uani 1 1 d .
H12 H -0.6697 0.5072 1.0666 0.054 Uiso 1 1 calc R
C13 C -0.6341(7) 0.3662(7) 0.9587(4) 0.043(2) Uani 1 1 d D
C14 C -0.6269(9) 0.3162(8) 0.8987(5) 0.061(3) Uani 1 1 d D
H14 H -0.6645 0.3346 0.8639 0.074 Uiso 1 1 calc R
C15 C -0.5646(8) 0.2393(8) 0.8897(4) 0.057(3) Uani 1 1 d D
H15 H -0.5583 0.2072 0.8492 0.069 Uiso 1 1 calc R
C16 C -0.5120(8) 0.2110(7) 0.9416(4) 0.049(2) Uani 1 1 d D
C17 C -0.5152(8) 0.2586(8) 1.0021(4) 0.048(2) Uani 1 1 d D
H17 H -0.4776 0.2390 1.0364 0.057 Uiso 1 1 calc R
C18 C -0.5785(8) 0.3399(8) 1.0108(5) 0.055(2) Uani 1 1 d D
H18 H -0.5821 0.3747 1.0514 0.066 Uiso 1 1 calc R
C19 C -0.8459(8) 0.6654(6) 0.8095(4) 0.040(2) Uani 1 1 d .
C20 C -0.7606(8) 0.7359(7) 0.7775(4) 0.0358(18) Uani 1 1 d .
C21 C -0.7000(7) 0.6861(7) 0.7377(4) 0.0362(18) Uani 1 1 d .
H21 H -0.7125 0.6065 0.7298 0.043 Uiso 1 1 calc R
C22 C -0.6200(7) 0.7556(6) 0.7096(3) 0.0304(16) Uani 1 1 d .
H22 H -0.5798 0.7228 0.6828 0.037 Uiso 1 1 calc R
C23 C -0.6025(6) 0.8733(6) 0.7226(3) 0.0259(15) Uani 1 1 d .
C24 C -0.6568(7) 0.9254(7) 0.7640(4) 0.0361(18) Uani 1 1 d .
H24 H -0.6408 1.0057 0.7731 0.043 Uiso 1 1 calc R
C25 C -0.7358(7) 0.8571(6) 0.7922(4) 0.0326(17) Uani 1 1 d .
H25 H -0.7721 0.8918 0.8207 0.039 Uiso 1 1 calc R
C26 C -0.4482(6) 1.0502(6) 0.7271(3) 0.0270(16) Uani 1 1 d .
C27 C -0.3549(6) 1.0573(6) 0.7772(3) 0.0261(15) Uani 1 1 d .
H27 H -0.3508 0.9904 0.7884 0.031 Uiso 1 1 calc R
C28 C -0.2694(6) 1.1655(6) 0.8093(3) 0.0263(15) Uani 1 1 d .
H28 H -0.2065 1.1715 0.8427 0.032 Uiso 1 1 calc R
C29 C -0.2743(6) 1.2680(6) 0.7933(3) 0.0266(15) Uani 1 1 d .
C30 C -0.3713(6) 1.2570(6) 0.7437(3) 0.0257(15) Uani 1 1 d .
H30 H -0.3781 1.3237 0.7333 0.031 Uiso 1 1 calc R
C31 C -0.4572(6) 1.1482(6) 0.7101(3) 0.0250(15) Uani 1 1 d .
H31 H -0.5203 1.1413 0.6766 0.030 Uiso 1 1 calc R
C32 C -0.1764(6) 1.3823(7) 0.8268(3) 0.0277(16) Uani 1 1 d .
C33 C -0.3561(6) 0.6090(6) 0.6762(3) 0.0218(14) Uani 1 1 d .
C34 C -0.2574(6) 0.7243(6) 0.7096(3) 0.0244(15) Uani 1 1 d .
C35 C -0.1603(6) 0.7364(6) 0.7578(3) 0.0234(14) Uani 1 1 d .
H35 H -0.1537 0.6705 0.7694 0.028 Uiso 1 1 calc R
C36 C -0.0729(6) 0.8449(6) 0.7892(3) 0.0254(15) Uani 1 1 d .
H36 H -0.0089 0.8524 0.8225 0.030 Uiso 1 1 calc R
C37 C -0.0808(6) 0.9421(6) 0.7711(3) 0.0241(15) Uani 1 1 d .
C38 C -0.1750(6) 0.9341(6) 0.7211(3) 0.0258(15) Uani 1 1 d .
H38 H -0.1781 1.0000 0.7084 0.031 Uiso 1 1 calc R
C39 C -0.2637(6) 0.8248(6) 0.6910(3) 0.0255(15) Uani 1 1 d .
H39 H -0.3283 0.8175 0.6581 0.031 Uiso 1 1 calc R
C40 C 0.0722(6) 1.1154(6) 0.7696(3) 0.0252(15) Uani 1 1 d .
C41 C 0.1283(6) 1.0616(6) 0.7291(3) 0.0261(15) Uani 1 1 d .
H41 H 0.1178 0.9827 0.7232 0.031 Uiso 1 1 calc R
C42 C 0.2006(6) 1.1280(6) 0.6977(3) 0.0264(15) Uani 1 1 d .
H42 H 0.2389 1.0935 0.6704 0.032 Uiso 1 1 calc R
C43 C 0.2157(6) 1.2443(6) 0.7068(3) 0.0238(15) Uani 1 1 d .
C44 C 0.1553(7) 1.2963(6) 0.7445(3) 0.0306(17) Uani 1 1 d .
H44 H 0.1638 1.3744 0.7487 0.037 Uiso 1 1 calc R
C45 C 0.0800(6) 1.2303(6) 0.7768(3) 0.0285(16) Uani 1 1 d .
H45 H 0.0374 1.2634 0.8019 0.034 Uiso 1 1 calc R
C46 C 0.3004(6) 1.3166(6) 0.6731(3) 0.0258(15) Uani 1 1 d .
C47 C -0.7388(6) 0.5202(6) 0.5500(4) 0.0296(17) Uani 1 1 d .
H47 H -0.7305 0.5563 0.5924 0.036 Uiso 1 1 calc R
C48 C -0.7231(6) 0.4133(7) 0.4662(4) 0.0309(17) Uani 1 1 d .
H48 H -0.7003 0.3596 0.4398 0.037 Uiso 1 1 calc R
C49 C -0.7944(6) 0.4708(6) 0.4458(4) 0.0308(16) Uani 1 1 d .
H49 H -0.8294 0.4650 0.4039 0.037 Uiso 1 1 calc R
C50 C -0.8749(6) 0.6162(6) 0.5030(4) 0.0287(16) Uani 1 1 d .
C51 C -0.9563(6) 0.6081(7) 0.4476(4) 0.0350(18) Uani 1 1 d .
H51 H -0.9664 0.5532 0.4098 0.042 Uiso 1 1 calc R
C52 C -1.0221(7) 0.6829(7) 0.4498(4) 0.0361(18) Uani 1 1 d .
H52 H -1.0760 0.6785 0.4128 0.043 Uiso 1 1 calc R
C53 C -1.0095(6) 0.7638(6) 0.5056(4) 0.0274(15) Uani 1 1 d .
C54 C -0.9265(7) 0.7730(7) 0.5609(4) 0.0362(18) Uani 1 1 d .
H54 H -0.9161 0.8286 0.5986 0.043 Uiso 1 1 calc R
C55 C -0.8590(6) 0.6980(7) 0.5594(4) 0.0347(18) Uani 1 1 d .
H55 H -0.8038 0.7032 0.5961 0.042 Uiso 1 1 calc R
C56 C -0.4005(6) 0.2496(6) 0.5700(3) 0.0222(14) Uani 1 1 d .
H56 H -0.3750 0.2576 0.6132 0.027 Uiso 1 1 calc R
C57 C -0.4858(6) 0.2690(6) 0.4801(3) 0.0246(15) Uani 1 1 d .
H57 H -0.5302 0.2938 0.4506 0.030 Uiso 1 1 calc R
C58 C -0.4289(6) 0.1907(6) 0.4658(3) 0.0250(15) Uani 1 1 d .
H58 H -0.4270 0.1528 0.4254 0.030 Uiso 1 1 calc R
C59 C -0.3000(6) 0.1068(5) 0.5318(3) 0.0195(13) Uani 1 1 d .
C60 C -0.2091(6) 0.1368(6) 0.5866(3) 0.0221(14) Uani 1 1 d .
H60 H -0.1969 0.2017 0.6199 0.027 Uiso 1 1 calc R
C61 C -0.1369(7) 0.0696(6) 0.5913(3) 0.0293(16) Uani 1 1 d .
H61 H -0.0746 0.0899 0.6280 0.035 Uiso 1 1 calc R
C62 C -0.1558(6) -0.0287(6) 0.5419(3) 0.0248(15) Uani 1 1 d .
C63 C -0.2499(6) -0.0590(6) 0.4877(3) 0.0275(16) Uani 1 1 d .
H63 H -0.2638 -0.1247 0.4546 0.033 Uiso 1 1 calc R
C64 C -0.3227(6) 0.0082(6) 0.4831(3) 0.0250(15) Uani 1 1 d .
H64 H -0.3869 -0.0130 0.4472 0.030 Uiso 1 1 calc R
C65 C -0.4877(10) 1.5461(13) 0.8047(5) 0.093(4) Uani 1 1 d D
O1W O -0.1317(7) 0.4413(6) 0.6833(3) 0.065(2) 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'
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'
Cd Cd -0.8075 1.2024 '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
N6 Cd1 O1 107.9(2) . .
N6 Cd1 O4 90.94(19) . 1_445
O1 Cd1 O4 141.60(17) . 1_445
N6 Cd1 N1 105.2(2) . .
O1 Cd1 N1 92.34(19) . .
O4 Cd1 N1 115.14(19) 1_445 .
N6 Cd1 O5 146.1(2) . 1_445
O1 Cd1 O5 101.29(18) . 1_445
O4 Cd1 O5 55.20(16) 1_445 1_445
N1 Cd1 O5 90.19(18) . 1_445
N6 Cd1 O2 87.4(3) . .
O1 Cd1 O2 54.53(19) . .
O4 Cd1 O2 94.7(2) 1_445 .
N1 Cd1 O2 146.9(2) . .
O5 Cd1 O2 96.0(3) 1_445 .
N6 Cd1 C19 96.2(3) . .
O1 Cd1 C19 27.24(19) . .
O4 Cd1 C19 120.5(2) 1_445 .
N1 Cd1 C19 119.4(2) . .
O5 Cd1 C19 102.3(2) 1_445 .
O2 Cd1 C19 27.5(2) . .
N6 Cd1 C32 118.5(2) . 1_445
O1 Cd1 C32 123.3(2) . 1_445
O4 Cd1 C32 27.57(19) 1_445 1_445
N1 Cd1 C32 104.4(2) . 1_445
O5 Cd1 C32 27.64(18) 1_445 1_445
O2 Cd1 C32 95.6(2) . 1_445
C19 Cd1 C32 113.5(2) . 1_445
O10 Cd2 N12 92.97(19) 1_445 .
O10 Cd2 O7 138.34(16) 1_445 .
N12 Cd2 O7 116.29(19) . .
O10 Cd2 N7 114.24(18) 1_445 .
N12 Cd2 N7 103.5(2) . .
O7 Cd2 N7 88.31(18) . .
O10 Cd2 O9 55.03(16) 1_445 1_445
N12 Cd2 O9 146.86(19) . 1_445
O7 Cd2 O9 95.66(16) . 1_445
N7 Cd2 O9 85.03(19) . 1_445
O10 Cd2 O6 99.39(16) 1_445 .
N12 Cd2 O6 89.49(18) . .
O7 Cd2 O6 55.06(16) . .
N7 Cd2 O6 142.83(18) . .
O9 Cd2 O6 102.97(17) 1_445 .
O10 Cd2 C46 27.70(18) 1_445 1_445
N12 Cd2 C46 120.2(2) . 1_445
O7 Cd2 C46 118.59(18) . 1_445
N7 Cd2 C46 100.1(2) . 1_445
O9 Cd2 C46 27.33(18) 1_445 1_445
O6 Cd2 C46 103.07(18) . 1_445
O10 Cd2 C33 121.05(18) 1_445 .
N12 Cd2 C33 103.9(2) . .
O7 Cd2 C33 27.54(18) . .
N7 Cd2 C33 115.6(2) . .
O9 Cd2 C33 100.76(18) 1_445 .
O6 Cd2 C33 27.51(17) . .
C46 Cd2 C33 113.66(19) 1_445 .
C19 O1 Cd1 98.1(4) . .
C19 O2 Cd1 84.7(5) . .
C23 O3 C26 115.4(5) . .
C32 O4 Cd1 97.5(4) . 1_665
C32 O5 Cd1 85.5(4) . 1_665
C33 O6 Cd2 85.6(4) . .
C33 O7 Cd2 97.9(4) . .
C37 O8 C40 115.6(5) . .
C46 O9 Cd2 84.4(4) . 1_665
C46 O10 Cd2 96.5(4) . 1_665
C1 N1 C2 106.8(5) . .
C1 N1 Cd1 120.1(4) . .
C2 N1 Cd1 132.8(4) . .
C1 N2 C3 107.0(5) . .
C1 N2 C4 126.4(6) . .
C3 N2 C4 126.5(6) . .
N4 N3 C7 107.5(8) . .
N3 N4 C16 107.2(7) . 1_465
C10 N5 C12 105.4(7) . .
C10 N5 C13 125.7(8) . .
C12 N5 C13 128.9(8) . .
C10 N6 C11 105.8(7) . .
C10 N6 Cd1 119.9(5) . .
C11 N6 Cd1 131.9(5) . .
C47 N7 C48 105.3(6) . .
C47 N7 Cd2 119.1(5) . .
C48 N7 Cd2 134.8(4) . .
C47 N8 C49 106.3(6) . .
C47 N8 C50 127.4(6) . .
C49 N8 C50 126.4(6) . .
N10 N9 C53 114.7(6) . 1_645
N9 N10 C62 110.9(6) . .
C56 N11 C58 106.9(5) . .
C56 N11 C59 126.6(5) . .
C58 N11 C59 126.5(5) . .
C56 N12 C57 106.3(5) . .
C56 N12 Cd2 122.1(4) . .
C57 N12 Cd2 130.9(4) . .
N1 C1 N2 111.0(6) . .
N1 C1 H1 124.5 . .
N2 C1 H1 124.5 . .
C3 C2 N1 109.0(6) . .
C3 C2 H2 125.5 . .
N1 C2 H2 125.5 . .
C2 C3 N2 106.3(6) . .
C2 C3 H3 126.9 . .
N2 C3 H3 126.9 . .
C5 C4 C9 120.7(7) . .
C5 C4 N2 118.9(6) . .
C9 C4 N2 120.4(6) . .
C4 C5 C6 119.8(8) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C7 C6 C5 120.8(7) . .
C7 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C6 C7 C8 119.5(7) . .
C6 C7 N3 110.7(7) . .
C8 C7 N3 129.8(8) . .
C9 C8 C7 120.0(7) . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C4 119.1(7) . .
C8 C9 H9 120.4 . .
C4 C9 H9 120.4 . .
N6 C10 N5 111.8(8) . .
N6 C10 H10 124.1 . .
N5 C10 H10 124.1 . .
C12 C11 N6 108.6(8) . .
C12 C11 H11 125.7 . .
N6 C11 H11 125.7 . .
C11 C12 N5 108.4(8) . .
C11 C12 H12 125.8 . .
N5 C12 H12 125.8 . .
C14 C13 C18 120.2(8) . .
C14 C13 N5 122.2(8) . .
C18 C13 N5 117.6(8) . .
C13 C14 C15 120.8(9) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C16 C15 C14 118.8(9) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C17 C16 C15 122.9(8) . .
C17 C16 N4 117.9(8) . 1_645
C15 C16 N4 119.1(8) . 1_645
C16 C17 C18 117.6(8) . .
C16 C17 H17 121.2 . .
C18 C17 H17 121.2 . .
C13 C18 C17 119.7(8) . .
C13 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
O1 C19 O2 121.8(7) . .
O1 C19 C20 118.1(6) . .
O2 C19 C20 120.1(7) . .
O1 C19 Cd1 54.7(4) . .
O2 C19 Cd1 67.8(4) . .
C20 C19 Cd1 168.4(6) . .
C21 C20 C25 119.5(7) . .
C21 C20 C19 122.3(7) . .
C25 C20 C19 118.0(6) . .
C20 C21 C22 120.3(7) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C23 C22 C21 118.7(7) . .
C23 C22 H22 120.7 . .
C21 C22 H22 120.7 . .
C22 C23 C24 122.1(7) . .
C22 C23 O3 117.3(6) . .
C24 C23 O3 120.6(7) . .
C23 C24 C25 119.6(7) . .
C23 C24 H24 120.2 . .
C25 C24 H24 120.2 . .
C24 C25 C20 119.8(7) . .
C24 C25 H25 120.1 . .
C20 C25 H25 120.1 . .
C31 C26 C27 122.0(6) . .
C31 C26 O3 119.6(6) . .
C27 C26 O3 118.3(6) . .
C28 C27 C26 118.1(7) . .
C28 C27 H27 120.9 . .
C26 C27 H27 120.9 . .
C27 C28 C29 121.8(6) . .
C27 C28 H28 119.1 . .
C29 C28 H28 119.1 . .
C30 C29 C28 118.0(6) . .
C30 C29 C32 121.8(7) . .
C28 C29 C32 120.2(6) . .
C31 C30 C29 120.9(7) . .
C31 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C26 C31 C30 119.1(6) . .
C26 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
O5 C32 O4 121.8(7) . .
O5 C32 C29 120.9(6) . .
O4 C32 C29 117.3(7) . .
O5 C32 Cd1 66.9(4) . 1_665
O4 C32 Cd1 54.9(4) . 1_665
C29 C32 Cd1 171.3(5) . 1_665
O6 C33 O7 121.4(6) . .
O6 C33 C34 121.1(6) . .
O7 C33 C34 117.5(6) . .
O6 C33 Cd2 66.9(3) . .
O7 C33 Cd2 54.6(3) . .
C34 C33 Cd2 172.0(5) . .
C35 C34 C39 118.8(6) . .
C35 C34 C33 122.3(6) . .
C39 C34 C33 118.9(6) . .
C36 C35 C34 120.9(7) . .
C36 C35 H35 119.6 . .
C34 C35 H35 119.6 . .
C37 C36 C35 119.6(6) . .
C37 C36 H36 120.2 . .
C35 C36 H36 120.2 . .
C36 C37 C38 121.8(6) . .
C36 C37 O8 119.1(6) . .
C38 C37 O8 119.1(6) . .
C39 C38 C37 117.9(7) . .
C39 C38 H38 121.0 . .
C37 C38 H38 121.0 . .
C38 C39 C34 120.9(6) . .
C38 C39 H39 119.5 . .
C34 C39 H39 119.5 . .
C45 C40 C41 122.3(7) . .
C45 C40 O8 117.7(6) . .
C41 C40 O8 119.9(6) . .
C40 C41 C42 118.6(6) . .
C40 C41 H41 120.7 . .
C42 C41 H41 120.7 . .
C43 C42 C41 120.2(6) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C42 C43 C44 121.1(7) . .
C42 C43 C46 118.9(6) . .
C44 C43 C46 120.0(6) . .
C43 C44 C45 119.8(7) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C40 C45 C44 117.7(6) . .
C40 C45 H45 121.2 . .
C44 C45 H45 121.2 . .
O9 C46 O10 124.0(7) . .
O9 C46 C43 119.2(6) . .
O10 C46 C43 116.8(6) . .
O9 C46 Cd2 68.3(4) . 1_665
O10 C46 Cd2 55.8(4) . 1_665
C43 C46 Cd2 171.9(5) . 1_665
N7 C47 N8 112.2(6) . .
N7 C47 H47 123.9 . .
N8 C47 H47 123.9 . .
C49 C48 N7 110.8(7) . .
C49 C48 H48 124.6 . .
N7 C48 H48 124.6 . .
C48 C49 N8 105.5(7) . .
C48 C49 H49 127.3 . .
N8 C49 H49 127.3 . .
C55 C50 C51 120.8(6) . .
C55 C50 N8 120.3(6) . .
C51 C50 N8 118.8(6) . .
C52 C51 C50 118.9(7) . .
C52 C51 H51 120.5 . .
C50 C51 H51 120.5 . .
C53 C52 C51 121.3(7) . .
C53 C52 H52 119.3 . .
C51 C52 H52 119.3 . .
C52 C53 C54 119.7(7) . .
C52 C53 N9 115.1(6) . 1_465
C54 C53 N9 125.2(7) . 1_465
C53 C54 C55 119.5(7) . .
C53 C54 H54 120.2 . .
C55 C54 H54 120.2 . .
C50 C55 C54 119.7(7) . .
C50 C55 H55 120.2 . .
C54 C55 H55 120.2 . .
N12 C56 N11 110.7(5) . .
N12 C56 H56 124.6 . .
N11 C56 H56 124.6 . .
C58 C57 N12 109.4(6) . .
C58 C57 H57 125.3 . .
N12 C57 H57 125.3 . .
C57 C58 N11 106.6(6) . .
C57 C58 H58 126.7 . .
N11 C58 H58 126.7 . .
C60 C59 C64 121.2(6) . .
C60 C59 N11 121.1(6) . .
C64 C59 N11 117.7(6) . .
C61 C60 C59 119.1(6) . .
C61 C60 H60 120.5 . .
C59 C60 H60 120.5 . .
C60 C61 C62 120.8(7) . .
C60 C61 H61 119.6 . .
C62 C61 H61 119.6 . .
C63 C62 C61 119.2(6) . .
C63 C62 N10 123.8(6) . .
C61 C62 N10 117.0(6) . .
C64 C63 C62 120.0(6) . .
C64 C63 H63 120.0 . .
C62 C63 H63 120.0 . .
C63 C64 C59 119.7(6) . .
C63 C64 H64 120.2 . .
C59 C64 H64 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N6 2.232(6) .
Cd1 O1 2.232(5) .
Cd1 O4 2.253(5) 1_445
Cd1 N1 2.255(5) .
Cd1 O5 2.518(5) 1_445
Cd1 O2 2.519(6) .
Cd1 C19 2.708(8) .
Cd1 C32 2.729(7) 1_445
Cd2 O10 2.243(5) 1_445
Cd2 N12 2.250(5) .
Cd2 O7 2.253(5) .
Cd2 N7 2.269(5) .
Cd2 O9 2.516(5) 1_445
Cd2 O6 2.526(5) .
Cd2 C46 2.695(7) 1_445
Cd2 C33 2.739(6) .
O1 C19 1.252(9) .
O2 C19 1.256(9) .
O3 C23 1.399(8) .
O3 C26 1.405(8) .
O4 C32 1.274(8) .
O4 Cd1 2.253(5) 1_665
O5 C32 1.270(9) .
O5 Cd1 2.518(5) 1_665
O6 C33 1.269(8) .
O7 C33 1.279(8) .
O8 C37 1.395(8) .
O8 C40 1.410(8) .
O9 C46 1.243(8) .
O9 Cd2 2.516(5) 1_665
O10 C46 1.261(8) .
O10 Cd2 2.243(5) 1_665
O11 C65 1.447(11) .
N1 C1 1.315(8) .
N1 C2 1.389(8) .
N2 C1 1.359(8) .
N2 C3 1.391(9) .
N2 C4 1.423(8) .
N3 N4 1.176(10) .
N3 C7 1.495(10) .
N4 C16 1.534(11) 1_465
N5 C10 1.353(11) .
N5 C12 1.365(11) .
N5 C13 1.439(10) .
N6 C10 1.325(10) .
N6 C11 1.370(11) .
N7 C47 1.295(9) .
N7 C48 1.375(9) .
N8 C47 1.355(9) .
N8 C49 1.386(9) .
N8 C50 1.428(8) .
N9 N10 1.229(8) .
N9 C53 1.439(8) 1_645
N10 C62 1.458(9) .
N11 C56 1.363(8) .
N11 C58 1.386(8) .
N11 C59 1.447(8) .
N12 C56 1.329(8) .
N12 C57 1.383(8) .
C1 H1 0.9300 .
C2 C3 1.361(10) .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 C5 1.375(10) .
C4 C9 1.385(10) .
C5 C6 1.377(10) .
C5 H5 0.9300 .
C6 C7 1.363(11) .
C6 H6 0.9300 .
C7 C8 1.405(11) .
C8 C9 1.383(10) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.349(10) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.378(11) .
C13 C18 1.380(11) .
C14 C15 1.378(12) .
C14 H14 0.9300 .
C15 C16 1.377(11) .
C15 H15 0.9300 .
C16 C17 1.363(9) .
C16 N4 1.534(11) 1_645
C17 C18 1.433(9) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.507(11) .
C20 C21 1.393(10) .
C20 C25 1.402(10) .
C21 C22 1.405(11) .
C21 H21 0.9300 .
C22 C23 1.375(10) .
C22 H22 0.9300 .
C23 C24 1.376(10) .
C24 C25 1.392(11) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C31 1.378(10) .
C26 C27 1.394(10) .
C27 C28 1.370(10) .
C27 H27 0.9300 .
C28 C29 1.409(10) .
C28 H28 0.9300 .
C29 C30 1.399(10) .
C29 C32 1.479(10) .
C30 C31 1.383(9) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 Cd1 2.729(7) 1_665
C33 C34 1.491(9) .
C34 C35 1.378(10) .
C34 C39 1.415(9) .
C35 C36 1.377(9) .
C35 H35 0.9300 .
C36 C37 1.376(10) .
C36 H36 0.9300 .
C37 C38 1.394(10) .
C38 C39 1.385(9) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 C45 1.379(10) .
C40 C41 1.387(10) .
C41 C42 1.387(10) .
C41 H41 0.9300 .
C42 C43 1.371(10) .
C42 H42 0.9300 .
C43 C44 1.376(9) .
C43 C46 1.540(10) .
C44 C45 1.418(10) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 Cd2 2.695(7) 1_665
C47 H47 0.9300 .
C48 C49 1.341(10) .
C48 H48 0.9300 .
C49 H49 0.9300 .
C50 C55 1.385(10) .
C50 C51 1.389(10) .
C51 C52 1.382(10) .
C51 H51 0.9300 .
C52 C53 1.379(10) .
C52 H52 0.9300 .
C53 C54 1.395(10) .
C53 N9 1.439(8) 1_465
C54 C55 1.399(10) .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C58 1.359(9) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 C60 1.377(9) .
C59 C64 1.378(9) .
C60 C61 1.372(9) .
C60 H60 0.9300 .
C61 C62 1.394(9) .
C61 H61 0.9300 .
C62 C63 1.388(9) .
C63 C64 1.376(9) .
C63 H63 0.9300 .
C64 H64 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
_geom_torsion_site_symmetry_4
N6 Cd1 O1 C19 67.7(5) . .
O4 Cd1 O1 C19 -48.1(6) 1_445 .
N1 Cd1 O1 C19 174.4(5) . .
O5 Cd1 O1 C19 -94.9(5) 1_445 .
O2 Cd1 O1 C19 -5.5(6) . .
C32 Cd1 O1 C19 -76.6(5) 1_445 .
N6 Cd1 O2 C19 -108.8(7) . .
O1 Cd1 O2 C19 5.4(5) . .
O4 Cd1 O2 C19 160.5(6) 1_445 .
N1 Cd1 O2 C19 5.3(10) . .
O5 Cd1 O2 C19 105.0(6) 1_445 .
C32 Cd1 O2 C19 132.8(6) 1_445 .
O10 Cd2 O6 C33 -144.5(4) 1_445 .
N12 Cd2 O6 C33 122.6(4) . .
O7 Cd2 O6 C33 -0.6(3) . .
N7 Cd2 O6 C33 10.6(5) . .
O9 Cd2 O6 C33 -88.4(4) 1_445 .
C46 Cd2 O6 C33 -116.5(4) 1_445 .
O10 Cd2 O7 C33 61.5(5) 1_445 .
N12 Cd2 O7 C33 -68.5(4) . .
N7 Cd2 O7 C33 -172.7(4) . .
O9 Cd2 O7 C33 102.5(4) 1_445 .
O6 Cd2 O7 C33 0.6(3) . .
C46 Cd2 O7 C33 86.8(4) 1_445 .
N6 Cd1 N1 C1 159.9(5) . .
O1 Cd1 N1 C1 50.6(5) . .
O4 Cd1 N1 C1 -101.7(5) 1_445 .
O5 Cd1 N1 C1 -50.7(5) 1_445 .
O2 Cd1 N1 C1 50.7(8) . .
C19 Cd1 N1 C1 53.5(6) . .
C32 Cd1 N1 C1 -74.7(5) 1_445 .
N6 Cd1 N1 C2 -12.9(7) . .
O1 Cd1 N1 C2 -122.2(6) . .
O4 Cd1 N1 C2 85.5(7) 1_445 .
O5 Cd1 N1 C2 136.5(6) 1_445 .
O2 Cd1 N1 C2 -122.1(7) . .
C19 Cd1 N1 C2 -119.3(7) . .
C32 Cd1 N1 C2 112.6(6) 1_445 .
C7 N3 N4 C16 178.8(6) . 1_465
O1 Cd1 N6 C10 -89.5(6) . .
O4 Cd1 N6 C10 56.5(7) 1_445 .
N1 Cd1 N6 C10 172.9(6) . .
O5 Cd1 N6 C10 58.8(8) 1_445 .
O2 Cd1 N6 C10 -38.2(7) . .
C19 Cd1 N6 C10 -64.3(7) . .
C32 Cd1 N6 C10 56.8(7) 1_445 .
O1 Cd1 N6 C11 111.0(7) . .
O4 Cd1 N6 C11 -103.0(7) 1_445 .
N1 Cd1 N6 C11 13.4(7) . .
O5 Cd1 N6 C11 -100.8(7) 1_445 .
O2 Cd1 N6 C11 162.3(7) . .
C19 Cd1 N6 C11 136.2(7) . .
C32 Cd1 N6 C11 -102.8(7) 1_445 .
O10 Cd2 N7 C47 91.4(5) 1_445 .
N12 Cd2 N7 C47 -169.1(5) . .
O7 Cd2 N7 C47 -52.4(5) . .
O9 Cd2 N7 C47 43.4(5) 1_445 .
O6 Cd2 N7 C47 -61.5(7) . .
C46 Cd2 N7 C47 66.3(6) 1_445 .
C33 Cd2 N7 C47 -56.1(6) . .
O10 Cd2 N7 C48 -99.9(6) 1_445 .
N12 Cd2 N7 C48 -0.3(7) . .
O7 Cd2 N7 C48 116.4(7) . .
O9 Cd2 N7 C48 -147.8(7) 1_445 .
O6 Cd2 N7 C48 107.3(6) . .
C46 Cd2 N7 C48 -124.9(6) 1_445 .
C33 Cd2 N7 C48 112.6(6) . .
C53 N9 N10 C62 179.9(6) 1_645 .
O10 Cd2 N12 C56 -50.3(5) 1_445 .
O7 Cd2 N12 C56 99.0(5) . .
N7 Cd2 N12 C56 -166.1(5) . .
O9 Cd2 N12 C56 -64.3(6) 1_445 .
O6 Cd2 N12 C56 49.0(5) . .
C46 Cd2 N12 C56 -55.8(6) 1_445 .
C33 Cd2 N12 C56 72.7(5) . .
O10 Cd2 N12 C57 118.7(6) 1_445 .
O7 Cd2 N12 C57 -92.0(6) . .
N7 Cd2 N12 C57 2.9(6) . .
O9 Cd2 N12 C57 104.7(6) 1_445 .
O6 Cd2 N12 C57 -141.9(6) . .
C46 Cd2 N12 C57 113.2(6) 1_445 .
C33 Cd2 N12 C57 -118.3(6) . .
C2 N1 C1 N2 -0.1(8) . .
Cd1 N1 C1 N2 -174.5(4) . .
C3 N2 C1 N1 0.6(8) . .
C4 N2 C1 N1 179.1(6) . .
C1 N1 C2 C3 -0.6(8) . .
Cd1 N1 C2 C3 172.9(5) . .
N1 C2 C3 N2 0.9(8) . .
C1 N2 C3 C2 -0.9(8) . .
C4 N2 C3 C2 -179.4(6) . .
C1 N2 C4 C5 -155.9(7) . .
C3 N2 C4 C5 22.3(10) . .
C1 N2 C4 C9 26.6(10) . .
C3 N2 C4 C9 -155.2(7) . .
C9 C4 C5 C6 0.8(12) . .
N2 C4 C5 C6 -176.7(7) . .
C4 C5 C6 C7 -0.4(12) . .
C5 C6 C7 C8 -0.8(12) . .
C5 C6 C7 N3 178.1(7) . .
N4 N3 C7 C6 170.2(8) . .
N4 N3 C7 C8 -11.0(12) . .
C6 C7 C8 C9 1.6(12) . .
N3 C7 C8 C9 -177.1(8) . .
C7 C8 C9 C4 -1.2(12) . .
C5 C4 C9 C8 0.0(11) . .
N2 C4 C9 C8 177.4(7) . .
C11 N6 C10 N5 1.1(9) . .
Cd1 N6 C10 N5 -163.3(5) . .
C12 N5 C10 N6 0.0(9) . .
C13 N5 C10 N6 177.5(7) . .
C10 N6 C11 C12 -1.7(9) . .
Cd1 N6 C11 C12 159.9(6) . .
N6 C11 C12 N5 1.8(9) . .
C10 N5 C12 C11 -1.1(9) . .
C13 N5 C12 C11 -178.5(7) . .
C10 N5 C13 C14 7.2(13) . .
C12 N5 C13 C14 -175.9(9) . .
C10 N5 C13 C18 -173.6(8) . .
C12 N5 C13 C18 3.3(12) . .
C18 C13 C14 C15 0.1(15) . .
N5 C13 C14 C15 179.3(8) . .
C13 C14 C15 C16 1.5(16) . .
C14 C15 C16 C17 -2.2(15) . .
C14 C15 C16 N4 177.6(8) . 1_645
C15 C16 C17 C18 1.2(14) . .
N4 C16 C17 C18 -178.6(7) 1_645 .
C14 C13 C18 C17 -1.2(14) . .
N5 C13 C18 C17 179.7(7) . .
C16 C17 C18 C13 0.5(13) . .
Cd1 O1 C19 O2 10.6(11) . .
Cd1 O1 C19 C20 -169.3(7) . .
Cd1 O2 C19 O1 -9.3(9) . .
Cd1 O2 C19 C20 170.6(8) . .
N6 Cd1 C19 O1 -117.7(5) . .
O4 Cd1 C19 O1 147.5(4) 1_445 .
N1 Cd1 C19 O1 -6.4(6) . .
O5 Cd1 C19 O1 90.9(5) 1_445 .
O2 Cd1 C19 O1 170.3(10) . .
C32 Cd1 C19 O1 117.5(5) 1_445 .
N6 Cd1 C19 O2 72.0(7) . .
O1 Cd1 C19 O2 -170.3(10) . .
O4 Cd1 C19 O2 -22.8(7) 1_445 .
N1 Cd1 C19 O2 -176.7(6) . .
O5 Cd1 C19 O2 -79.4(7) 1_445 .
C32 Cd1 C19 O2 -52.8(7) 1_445 .
N6 Cd1 C19 C20 -63(3) . .
O1 Cd1 C19 C20 55(3) . .
O4 Cd1 C19 C20 -158(3) 1_445 .
N1 Cd1 C19 C20 48(3) . .
O5 Cd1 C19 C20 146(3) 1_445 .
O2 Cd1 C19 C20 -135(3) . .
C32 Cd1 C19 C20 172(3) 1_445 .
O1 C19 C20 C21 179.1(8) . .
O2 C19 C20 C21 -0.8(14) . .
Cd1 C19 C20 C21 130(3) . .
O1 C19 C20 C25 3.7(12) . .
O2 C19 C20 C25 -176.2(9) . .
Cd1 C19 C20 C25 -45(3) . .
C25 C20 C21 C22 -3.7(13) . .
C19 C20 C21 C22 -179.1(8) . .
C20 C21 C22 C23 0.5(12) . .
C21 C22 C23 C24 2.6(11) . .
C21 C22 C23 O3 -175.5(6) . .
C26 O3 C23 C22 -138.9(7) . .
C26 O3 C23 C24 42.9(9) . .
C22 C23 C24 C25 -2.4(12) . .
O3 C23 C24 C25 175.6(7) . .
C23 C24 C25 C20 -0.9(12) . .
C21 C20 C25 C24 3.9(12) . .
C19 C20 C25 C24 179.5(8) . .
C23 O3 C26 C31 -119.9(7) . .
C23 O3 C26 C27 64.7(8) . .
C31 C26 C27 C28 -1.0(10) . .
O3 C26 C27 C28 174.3(6) . .
C26 C27 C28 C29 0.3(10) . .
C27 C28 C29 C30 1.3(10) . .
C27 C28 C29 C32 -176.5(6) . .
C28 C29 C30 C31 -2.3(10) . .
C32 C29 C30 C31 175.4(6) . .
C27 C26 C31 C30 0.0(10) . .
O3 C26 C31 C30 -175.2(6) . .
C29 C30 C31 C26 1.6(10) . .
Cd1 O5 C32 O4 1.8(6) 1_665 .
Cd1 O5 C32 C29 -175.5(6) 1_665 .
Cd1 O4 C32 O5 -2.0(7) 1_665 .
Cd1 O4 C32 C29 175.4(5) 1_665 .
C30 C29 C32 O5 10.4(10) . .
C28 C29 C32 O5 -171.9(6) . .
C30 C29 C32 O4 -167.0(6) . .
C28 C29 C32 O4 10.7(10) . .
C30 C29 C32 Cd1 -141(3) . 1_665
C28 C29 C32 Cd1 36(4) . 1_665
Cd2 O6 C33 O7 1.0(6) . .
Cd2 O6 C33 C34 -178.5(6) . .
Cd2 O7 C33 O6 -1.1(7) . .
Cd2 O7 C33 C34 178.4(5) . .
O10 Cd2 C33 O6 41.9(4) 1_445 .
N12 Cd2 C33 O6 -60.3(4) . .
O7 Cd2 C33 O6 179.0(6) . .
N7 Cd2 C33 O6 -172.9(3) . .
O9 Cd2 C33 O6 97.4(4) 1_445 .
C46 Cd2 C33 O6 72.1(4) 1_445 .
O10 Cd2 C33 O7 -137.0(3) 1_445 .
N12 Cd2 C33 O7 120.8(4) . .
N7 Cd2 C33 O7 8.1(4) . .
O9 Cd2 C33 O7 -81.5(4) 1_445 .
O6 Cd2 C33 O7 -179.0(6) . .
C46 Cd2 C33 O7 -106.8(4) 1_445 .
O10 Cd2 C33 C34 -147(3) 1_445 .
N12 Cd2 C33 C34 111(3) . .
O7 Cd2 C33 C34 -10(3) . .
N7 Cd2 C33 C34 -2(3) . .
O9 Cd2 C33 C34 -92(3) 1_445 .
O6 Cd2 C33 C34 171(4) . .
C46 Cd2 C33 C34 -117(3) 1_445 .
O6 C33 C34 C35 -8.8(10) . .
O7 C33 C34 C35 171.7(6) . .
Cd2 C33 C34 C35 -179(100) . .
O6 C33 C34 C39 171.2(6) . .
O7 C33 C34 C39 -8.3(9) . .
Cd2 C33 C34 C39 1(4) . .
C39 C34 C35 C36 2.3(10) . .
C33 C34 C35 C36 -177.7(6) . .
C34 C35 C36 C37 -1.7(10) . .
C35 C36 C37 C38 -0.5(10) . .
C35 C36 C37 O8 176.8(6) . .
C40 O8 C37 C36 122.7(7) . .
C40 O8 C37 C38 -59.9(8) . .
C36 C37 C38 C39 2.0(10) . .
O8 C37 C38 C39 -175.3(6) . .
C37 C38 C39 C34 -1.3(10) . .
C35 C34 C39 C38 -0.8(10) . .
C33 C34 C39 C38 179.2(6) . .
C37 O8 C40 C45 130.8(6) . .
C37 O8 C40 C41 -49.6(8) . .
C45 C40 C41 C42 3.8(10) . .
O8 C40 C41 C42 -175.9(6) . .
C40 C41 C42 C43 0.0(10) . .
C41 C42 C43 C44 -3.2(11) . .
C41 C42 C43 C46 177.7(6) . .
C42 C43 C44 C45 2.7(11) . .
C46 C43 C44 C45 -178.3(6) . .
C41 C40 C45 C44 -4.3(10) . .
O8 C40 C45 C44 175.4(6) . .
C43 C44 C45 C40 1.0(11) . .
Cd2 O9 C46 O10 1.7(7) 1_665 .
Cd2 O9 C46 C43 -176.6(6) 1_665 .
Cd2 O10 C46 O9 -1.9(7) 1_665 .
Cd2 O10 C46 C43 176.4(5) 1_665 .
C42 C43 C46 O9 167.6(6) . .
C44 C43 C46 O9 -11.5(10) . .
C42 C43 C46 O10 -10.7(9) . .
C44 C43 C46 O10 170.2(6) . .
C42 C43 C46 Cd2 11(4) . 1_665
C44 C43 C46 Cd2 -168(3) . 1_665
C48 N7 C47 N8 -0.1(8) . .
Cd2 N7 C47 N8 171.7(4) . .
C49 N8 C47 N7 0.0(8) . .
C50 N8 C47 N7 178.6(6) . .
C47 N7 C48 C49 0.2(8) . .
Cd2 N7 C48 C49 -169.7(5) . .
N7 C48 C49 N8 -0.2(8) . .
C47 N8 C49 C48 0.2(8) . .
C50 N8 C49 C48 -178.5(7) . .
C47 N8 C50 C55 14.4(11) . .
C49 N8 C50 C55 -167.2(7) . .
C47 N8 C50 C51 -167.2(7) . .
C49 N8 C50 C51 11.3(11) . .
C55 C50 C51 C52 -0.3(12) . .
N8 C50 C51 C52 -178.7(7) . .
C50 C51 C52 C53 -0.8(12) . .
C51 C52 C53 C54 1.7(12) . .
C51 C52 C53 N9 -177.8(7) . 1_465
C52 C53 C54 C55 -1.5(12) . .
N9 C53 C54 C55 177.9(7) 1_465 .
C51 C50 C55 C54 0.5(12) . .
N8 C50 C55 C54 178.9(7) . .
C53 C54 C55 C50 0.4(12) . .
C57 N12 C56 N11 0.4(8) . .
Cd2 N12 C56 N11 171.8(4) . .
C58 N11 C56 N12 -0.3(8) . .
C59 N11 C56 N12 177.6(6) . .
C56 N12 C57 C58 -0.3(8) . .
Cd2 N12 C57 C58 -170.7(5) . .
N12 C57 C58 N11 0.2(8) . .
C56 N11 C58 C57 0.1(8) . .
C59 N11 C58 C57 -177.8(6) . .
C56 N11 C59 C60 -26.6(10) . .
C58 N11 C59 C60 150.8(7) . .
C56 N11 C59 C64 153.8(6) . .
C58 N11 C59 C64 -28.8(9) . .
C64 C59 C60 C61 2.8(10) . .
N11 C59 C60 C61 -176.8(6) . .
C59 C60 C61 C62 -0.9(11) . .
C60 C61 C62 C63 -0.7(11) . .
C60 C61 C62 N10 179.5(6) . .
N9 N10 C62 C63 10.4(10) . .
N9 N10 C62 C61 -169.8(6) . .
C61 C62 C63 C64 0.5(11) . .
N10 C62 C63 C64 -179.8(7) . .
C62 C63 C64 C59 1.4(11) . .
C60 C59 C64 C63 -3.1(11) . .
N11 C59 C64 C63 176.5(6) . .
