#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:47:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179596 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/60/4506008.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_4506008
loop_
_publ_author_name
'Wang, Xianjuan'
'Liu, Yanhua'
'Xu, Chunying'
'Guo, Qianqian'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Series of Cd(II) Metal--Organic Frameworks Based on a Flexible Tripodal
 Ligand and Polycarboxylate Acids: Syntheses, Structures, and
 Photoluminescent Properties
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2435
_journal_paper_doi               10.1021/cg3000729
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         '2(C60 H54 Cd3 N18 O15), 2(O0.50)'
_chemical_formula_sum            'C120 H122 Cd6 Cl0 N36 O31'
_chemical_formula_weight         3238.94
_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                101.37(3)
_cell_angle_beta                 110.85(3)
_cell_angle_gamma                106.33(3)
_cell_formula_units_Z            1
_cell_length_a                   12.873(3)
_cell_length_b                   16.984(3)
_cell_length_c                   17.868(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3305.5(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33657
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.036
_exptl_absorpt_correction_T_max  0.8196
_exptl_absorpt_correction_T_min  0.7891
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1630
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.186
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     880
_refine_ls_number_reflns         11643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.023
_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+4.6695P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                9972
_reflns_number_total             11643
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3000729_si_002.cif
_cod_data_source_block           3
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3305.6(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506008
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 0.29099(3) 0.23897(2) 0.55791(2) 0.03759(11) Uani 1 1 d .
Cd2 Cd 0.38680(3) 0.76701(2) 1.09911(2) 0.03763(11) Uani 1 1 d .
Cd3 Cd 0.00707(3) 0.27491(2) 0.22341(2) 0.03998(12) Uani 1 1 d .
O1 O 0.3689(3) 0.1315(2) 0.5979(2) 0.0521(10) Uani 1 1 d .
O2 O 0.3272(3) 0.1371(2) 0.4690(2) 0.0499(9) Uani 1 1 d .
O3 O 0.1366(4) 0.1965(2) 0.2727(2) 0.0540(10) Uani 1 1 d .
O4 O 0.0211(4) 0.1556(3) 0.1377(2) 0.0597(11) Uani 1 1 d .
O5 O 0.2429(4) 0.2852(2) 0.4399(2) 0.0546(10) Uani 1 1 d .
O6 O 0.0559(4) 0.3312(3) 0.3756(3) 0.0728(13) Uani 1 1 d .
O7 O -0.0933(3) 0.2890(3) 0.0918(2) 0.0561(10) Uani 1 1 d .
O8 O -0.0265(4) 0.3957(3) 0.2907(3) 0.0631(11) Uani 1 1 d .
O9 O 0.3043(4) 0.2752(3) 0.7156(3) 0.0928(18) Uani 1 1 d .
O10 O 0.2620(5) 0.3510(3) 0.6306(3) 0.0816(15) Uani 1 1 d .
O11 O 0.3000(3) 0.6805(2) 0.9511(2) 0.0540(10) Uani 1 1 d .
O12 O 0.4059(4) 0.6345(2) 1.0446(2) 0.0572(10) Uani 1 1 d .
O13 O 0.5080(4) 0.7684(3) 1.2315(2) 0.0704(13) Uani 1 1 d .
O14 O 0.3869(4) 0.8936(3) 1.1859(2) 0.0620(11) Uani 1 1 d .
O15 O 0.2741(3) 0.8551(2) 1.0501(2) 0.0522(10) Uani 1 1 d .
O16 O 0.6767(9) 0.9944(6) 0.2926(6) 0.087(3) Uani 0.50 1 d P
N1 N 0.4919(4) 0.3216(3) 0.5939(3) 0.0485(11) Uani 1 1 d .
N2 N 0.6910(5) 0.3789(5) 0.6460(4) 0.105(3) Uani 1 1 d .
N3 N 0.6411(4) 0.3629(3) 0.5620(3) 0.0568(13) Uani 1 1 d .
N4 N 0.3585(4) 0.4164(3) 0.2330(3) 0.0554(12) Uani 1 1 d .
N5 N 0.2962(5) 0.4515(4) 0.1804(4) 0.0807(18) Uani 1 1 d .
N6 N 0.1797(4) 0.3674(3) 0.2261(3) 0.0567(13) Uani 1 1 d .
N7 N -0.1789(4) 0.1920(3) 0.2085(3) 0.0594(14) Uani 1 1 d .
N8 N -0.3667(6) 0.0965(4) 0.1492(5) 0.105(2) Uani 1 1 d .
N9 N -0.3510(4) 0.1585(3) 0.2140(3) 0.0580(14) Uani 1 1 d .
N10 N -0.1019(5) 0.1109(5) 0.4816(4) 0.103(2) Uani 1 1 d .
N11 N -0.0468(4) 0.1004(4) 0.5559(3) 0.0704(16) Uani 1 1 d .
N12 N 0.0948(4) 0.1527(3) 0.5187(3) 0.0583(13) Uani 1 1 d .
N13 N 0.7279(4) 0.8836(3) 1.0833(3) 0.0600(13) Uani 1 1 d .
N14 N 0.6635(5) 0.9179(4) 1.0316(3) 0.0696(15) Uani 1 1 d .
N15 N 0.2201(4) 0.6857(3) 1.1113(3) 0.0518(12) Uani 1 1 d .
N16 N 0.0658(8) 0.5775(4) 1.0999(6) 0.140(4) Uani 1 1 d .
N17 N 0.0613(5) 0.6508(3) 1.1336(4) 0.0635(14) Uani 1 1 d .
N18 N 0.5544(4) 0.8413(3) 1.0856(3) 0.0500(11) Uani 1 1 d .
C1 C -0.1529(8) 0.7267(6) 1.0351(5) 0.123(4) Uani 1 1 d .
H1A H -0.2198 0.7420 1.0083 0.185 Uiso 1 1 calc R
H1B H -0.1815 0.6657 1.0278 0.185 Uiso 1 1 calc R
H1C H -0.0985 0.7392 1.0097 0.185 Uiso 1 1 calc R
C2 C -0.0872(6) 0.7794(5) 1.1299(5) 0.0704(19) Uani 1 1 d .
C3 C -0.0361(7) 0.6521(4) 1.1569(6) 0.092(3) Uani 1 1 d .
H3A H -0.0319 0.6261 1.2011 0.110 Uiso 1 1 calc R
H3B H -0.1128 0.6177 1.1079 0.110 Uiso 1 1 calc R
C4 C -0.0284(6) 0.7442(4) 1.1882(5) 0.0652(18) Uani 1 1 d .
C5 C 0.0381(5) 0.7935(5) 1.2738(5) 0.0651(18) Uani 1 1 d .
C6 C 0.1059(8) 0.7560(6) 1.3351(6) 0.121(3) Uani 1 1 d .
H6A H 0.0615 0.7366 1.3657 0.181 Uiso 1 1 calc R
H6B H 0.1835 0.7999 1.3744 0.181 Uiso 1 1 calc R
H6C H 0.1158 0.7078 1.3043 0.181 Uiso 1 1 calc R
C7 C 0.1544(6) 0.7139(4) 1.1409(5) 0.071(2) Uani 1 1 d .
H7 H 0.1714 0.7725 1.1647 0.085 Uiso 1 1 calc R
C8 C 0.1617(9) 0.6011(5) 1.0865(7) 0.128(4) Uani 1 1 d .
H8 H 0.1865 0.5612 1.0614 0.154 Uiso 1 1 calc R
C9 C 0.2855(5) 1.0102(3) 1.2255(3) 0.0474(13) Uani 1 1 d .
H9 H 0.3369 0.9981 1.2693 0.057 Uiso 1 1 calc R
C10 C 0.2574(4) 0.9676(3) 1.1429(3) 0.0341(11) Uani 1 1 d .
C11 C 0.3105(5) 0.9016(3) 1.1250(3) 0.0399(12) Uani 1 1 d .
C12 C 0.5615(6) 0.8914(4) 1.0366(4) 0.0639(17) Uani 1 1 d .
H12 H 0.4978 0.9063 1.0082 0.077 Uiso 1 1 calc R
C13 C 0.6621(5) 0.8394(4) 1.1149(4) 0.0642(17) Uani 1 1 d .
H13 H 0.6887 0.8108 1.1527 0.077 Uiso 1 1 calc R
C14 C 0.8534(6) 0.9006(6) 1.0968(6) 0.096(3) Uani 1 1 d .
H14A H 0.8985 0.9629 1.1177 0.116 Uiso 1 1 calc R
H14B H 0.8538 0.8770 1.0429 0.116 Uiso 1 1 calc R
C15 C 0.9147(5) 0.8613(5) 1.1587(5) 0.0645(18) Uani 1 1 d .
C16 C 0.9751(6) 0.9097(4) 1.2453(5) 0.0630(17) Uani 1 1 d .
C17 C 0.9650(7) 0.9955(4) 1.2777(6) 0.101(3) Uani 1 1 d .
H17A H 0.9265 0.9910 1.3148 0.152 Uiso 1 1 calc R
H17B H 0.9181 1.0092 1.2306 0.152 Uiso 1 1 calc R
H17C H 1.0439 1.0407 1.3083 0.152 Uiso 1 1 calc R
C18 C 0.3429(4) 0.6257(3) 0.9702(3) 0.0417(12) Uani 1 1 d .
C19 C 0.3203(4) 0.5485(3) 0.9003(3) 0.0355(11) Uani 1 1 d .
C20 C 0.3569(5) 0.4829(3) 0.9186(3) 0.0470(13) Uani 1 1 d .
H20 H 0.3918 0.4852 0.9748 0.056 Uiso 1 1 calc R
C21 C 0.2652(5) 0.5419(3) 0.8160(3) 0.0451(13) Uani 1 1 d .
H21 H 0.2357 0.5837 0.8019 0.054 Uiso 1 1 calc R
C22 C 0.2534(5) 0.4744(4) 0.7527(3) 0.0486(14) Uani 1 1 d .
H22 H 0.2189 0.4722 0.6965 0.058 Uiso 1 1 calc R
C23 C 0.2925(4) 0.4097(3) 0.7717(3) 0.0424(13) Uani 1 1 d .
C24 C 0.3425(5) 0.4139(3) 0.8552(4) 0.0518(14) Uani 1 1 d .
H24 H 0.3668 0.3699 0.8689 0.062 Uiso 1 1 calc R
C25 C 0.2855(5) 0.3400(4) 0.7010(4) 0.0590(18) Uani 1 1 d .
C26 C -0.0392(5) 0.1234(4) 0.6977(4) 0.0627(17) Uani 1 1 d .
C27 C -0.1116(6) 0.0701(5) 0.6047(5) 0.092(3) Uani 1 1 d .
H27A H -0.1256 0.0093 0.5974 0.111 Uiso 1 1 calc R
H27B H -0.1891 0.0753 0.5836 0.111 Uiso 1 1 calc R
C28 C -0.0131(6) 0.1420(5) 0.4623(4) 0.085(2) Uani 1 1 d .
H28 H -0.0248 0.1555 0.4127 0.103 Uiso 1 1 calc R
C29 C 0.0697(5) 0.1263(4) 0.5766(4) 0.0672(18) Uani 1 1 d .
H29 H 0.1266 0.1260 0.6262 0.081 Uiso 1 1 calc R
C30 C 0.3739(4) 0.1109(3) 0.5276(3) 0.0393(12) Uani 1 1 d .
C31 C 0.4894(7) 0.0189(5) 0.5738(4) 0.084(2) Uani 1 1 d .
H31 H 0.4841 0.0316 0.6251 0.100 Uiso 1 1 calc R
C32 C 0.4397(4) 0.0528(3) 0.5145(3) 0.0364(11) Uani 1 1 d .
C33 C 0.4522(7) 0.0345(5) 0.4420(4) 0.083(2) Uani 1 1 d .
H33 H 0.4205 0.0587 0.4013 0.099 Uiso 1 1 calc R
C34 C 0.5248(5) 0.3290(4) 0.5334(4) 0.0552(15) Uani 1 1 d .
H34 H 0.4711 0.3120 0.4765 0.066 Uiso 1 1 calc R
C35 C 0.5965(6) 0.3542(5) 0.6618(4) 0.088(3) Uani 1 1 d .
H35 H 0.6029 0.3594 0.7163 0.106 Uiso 1 1 calc R
C36 C 0.7182(5) 0.3852(5) 0.5197(4) 0.073(2) Uani 1 1 d .
H36A H 0.7777 0.3592 0.5343 0.088 Uiso 1 1 calc R
H36B H 0.7607 0.4478 0.5400 0.088 Uiso 1 1 calc R
C37 C 0.6871(7) 0.2171(5) 0.4206(6) 0.099(3) Uani 1 1 d .
H37A H 0.7729 0.2476 0.4502 0.148 Uiso 1 1 calc R
H37B H 0.6681 0.1633 0.3792 0.148 Uiso 1 1 calc R
H37C H 0.6557 0.2053 0.4603 0.148 Uiso 1 1 calc R
C38 C 0.6318(5) 0.2721(4) 0.3769(5) 0.0589(16) Uani 1 1 d .
C39 C 0.6469(5) 0.3539(4) 0.4243(4) 0.0535(15) Uani 1 1 d .
C40 C 0.6093(7) 0.4935(4) 0.4394(5) 0.081(2) Uani 1 1 d .
H40A H 0.6164 0.4907 0.4941 0.122 Uiso 1 1 calc R
H40B H 0.5395 0.5056 0.4117 0.122 Uiso 1 1 calc R
H40C H 0.6798 0.5388 0.4463 0.122 Uiso 1 1 calc R
C41 C 0.5969(5) 0.4063(4) 0.3853(4) 0.0519(15) Uani 1 1 d .
C42 C 0.5354(5) 0.3790(4) 0.2966(4) 0.0507(14) Uani 1 1 d .
C43 C 0.4871(5) 0.4376(4) 0.2547(4) 0.0644(17) Uani 1 1 d .
H43A H 0.5328 0.4973 0.2924 0.077 Uiso 1 1 calc R
H43B H 0.4983 0.4332 0.2033 0.077 Uiso 1 1 calc R
C44 C 0.5198(5) 0.2979(4) 0.2479(4) 0.0577(16) Uani 1 1 d .
C45 C 0.5672(5) 0.2450(4) 0.2880(5) 0.0587(17) Uani 1 1 d .
C46 C 0.5477(6) 0.1557(4) 0.2344(5) 0.077(2) Uani 1 1 d .
H46A H 0.5378 0.1152 0.2651 0.093 Uiso 1 1 calc R
H46B H 0.4744 0.1349 0.1822 0.093 Uiso 1 1 calc R
C47 C 0.4511(7) 0.2678(5) 0.1513(4) 0.094(3) Uani 1 1 d .
H47A H 0.4163 0.3084 0.1351 0.141 Uiso 1 1 calc R
H47B H 0.3884 0.2114 0.1316 0.141 Uiso 1 1 calc R
H47C H 0.5054 0.2646 0.1264 0.141 Uiso 1 1 calc R
C48 C 0.2881(5) 0.3670(4) 0.2577(4) 0.0582(16) Uani 1 1 d .
H48 H 0.3122 0.3358 0.2932 0.070 Uiso 1 1 calc R
C49 C 0.1893(6) 0.4196(5) 0.1782(5) 0.077(2) Uani 1 1 d .
H49 H 0.1248 0.4318 0.1463 0.092 Uiso 1 1 calc R
C50 C -0.0233(5) 0.5160(4) 0.4244(4) 0.0513(14) Uani 1 1 d .
H50 H -0.0392 0.5269 0.3733 0.062 Uiso 1 1 calc R
C51 C 0.0079(4) 0.4456(3) 0.4345(3) 0.0412(12) Uani 1 1 d .
C52 C 0.0309(5) 0.4303(4) 0.5110(4) 0.0503(14) Uani 1 1 d .
H52 H 0.0517 0.3833 0.5187 0.060 Uiso 1 1 calc R
C53 C 0.0135(5) 0.3874(4) 0.3616(4) 0.0494(14) Uani 1 1 d .
C54 C -0.2594(7) 0.1202(5) 0.1491(6) 0.103(3) Uani 1 1 d .
H54 H -0.2431 0.0878 0.1094 0.124 Uiso 1 1 calc R
C55 C -0.2436(6) 0.2159(4) 0.2413(5) 0.091(3) Uani 1 1 d .
H55 H -0.2155 0.2703 0.2815 0.109 Uiso 1 1 calc R
C56 C 0.1019(5) 0.1506(3) 0.1979(3) 0.0383(12) Uani 1 1 d .
C57 C 0.1594(4) 0.0884(3) 0.1803(3) 0.0336(11) Uani 1 1 d .
C58 C 0.2382(5) 0.0708(3) 0.2443(3) 0.0454(13) Uani 1 1 d .
H58 H 0.2597 0.1002 0.3007 0.055 Uiso 1 1 calc R
C59 C 0.1325(5) 0.0456(3) 0.0977(3) 0.0430(12) Uani 1 1 d .
H59 H 0.0811 0.0576 0.0538 0.052 Uiso 1 1 calc R
C60 C 0.1801(5) -0.0151(3) 0.0786(3) 0.0433(13) Uani 1 1 d .
H60 H 0.1597 -0.0440 0.0224 0.052 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 '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
O10 Cd1 N12 88.32(18) . .
O10 Cd1 O5 90.03(17) . .
N12 Cd1 O5 93.82(17) . .
O10 Cd1 N1 94.39(17) . .
N12 Cd1 N1 177.28(16) . .
O5 Cd1 N1 85.97(16) . .
O10 Cd1 O2 170.63(16) . .
N12 Cd1 O2 96.04(16) . .
O5 Cd1 O2 81.42(13) . .
N1 Cd1 O2 81.25(15) . .
O10 Cd1 O1 133.56(17) . .
N12 Cd1 O1 94.07(17) . .
O5 Cd1 O1 135.85(12) . .
N1 Cd1 O1 84.22(15) . .
O2 Cd1 O1 54.57(12) . .
N18 Cd2 N15 177.00(16) . .
N18 Cd2 O13 90.12(18) . .
N15 Cd2 O13 89.11(18) . .
N18 Cd2 O12 88.87(15) . .
N15 Cd2 O12 88.18(15) . .
O13 Cd2 O12 85.84(14) . .
N18 Cd2 O14 94.59(16) . .
N15 Cd2 O14 88.14(16) . .
O13 Cd2 O14 80.56(14) . .
O12 Cd2 O14 165.96(14) . .
N18 Cd2 O11 88.11(15) . .
N15 Cd2 O11 90.62(16) . .
O13 Cd2 O11 139.83(13) . .
O12 Cd2 O11 54.01(13) . .
O14 Cd2 O11 139.57(13) . .
N18 Cd2 O15 96.02(15) . .
N15 Cd2 O15 86.59(15) . .
O13 Cd2 O15 134.18(13) . .
O12 Cd2 O15 139.45(13) . .
O14 Cd2 O15 53.73(13) . .
O11 Cd2 O15 85.85(12) . .
N7 Cd3 N6 171.88(19) . .
N7 Cd3 O7 87.19(17) . .
N6 Cd3 O7 85.53(17) . .
N7 Cd3 O4 92.96(16) . .
N6 Cd3 O4 89.67(16) . .
O7 Cd3 O4 82.64(13) . .
N7 Cd3 O8 85.20(16) . .
N6 Cd3 O8 91.10(16) . .
O7 Cd3 O8 89.18(14) . .
O4 Cd3 O8 171.70(14) . .
N7 Cd3 O3 105.49(17) . .
N6 Cd3 O3 82.23(16) . .
O7 Cd3 O3 134.18(12) . .
O4 Cd3 O3 53.44(12) . .
O8 Cd3 O3 134.83(13) . .
N7 Cd3 O6 84.95(17) . .
N6 Cd3 O6 98.65(18) . .
O7 Cd3 O6 142.23(13) . .
O4 Cd3 O6 134.58(14) . .
O8 Cd3 O6 53.39(14) . .
O3 Cd3 O6 83.40(12) . .
C30 O1 Cd1 89.4(3) . .
C30 O2 Cd1 92.4(3) . .
C56 O3 Cd3 90.6(3) . .
C56 O4 Cd3 94.1(3) . .
C53 O6 Cd3 89.7(4) . .
C53 O8 Cd3 93.7(3) . .
C25 O10 Cd1 101.9(4) . .
C18 O11 Cd2 91.0(3) . .
C18 O12 Cd2 92.8(3) . .
C11 O14 Cd2 93.1(3) . .
C11 O15 Cd2 90.6(3) . .
C34 N1 C35 102.1(5) . .
C34 N1 Cd1 119.3(4) . .
C35 N1 Cd1 137.3(4) . .
C35 N2 N3 102.8(5) . .
C34 N3 N2 108.5(5) . .
C34 N3 C36 131.9(5) . .
N2 N3 C36 119.6(5) . .
C48 N4 N5 110.0(5) . .
C48 N4 C43 130.3(5) . .
N5 N4 C43 119.6(5) . .
C49 N5 N4 101.6(5) . .
C48 N6 C49 101.8(5) . .
C48 N6 Cd3 127.9(4) . .
C49 N6 Cd3 128.4(4) . .
C55 N7 C54 100.2(5) . .
C55 N7 Cd3 127.9(4) . .
C54 N7 Cd3 129.2(4) . .
N9 N8 C54 103.0(6) . .
C55 N9 N8 106.3(5) . .
C55 N9 C46 133.8(5) . 1_455
N8 N9 C46 119.4(5) . 1_455
C28 N10 N11 102.9(6) . .
C29 N11 N10 108.5(6) . .
C29 N11 C27 129.1(6) . .
N10 N11 C27 122.3(6) . .
C29 N12 C28 101.9(6) . .
C29 N12 Cd1 117.4(4) . .
C28 N12 Cd1 136.4(5) . .
C13 N13 N14 109.9(5) . .
C13 N13 C14 131.1(6) . .
N14 N13 C14 119.0(5) . .
C12 N14 N13 101.7(5) . .
C7 N15 C8 101.1(5) . .
C7 N15 Cd2 127.6(4) . .
C8 N15 Cd2 131.2(4) . .
N17 N16 C8 103.7(6) . .
N16 N17 C7 108.0(5) . .
N16 N17 C3 120.5(5) . .
C7 N17 C3 131.4(5) . .
C13 N18 C12 102.1(5) . .
C13 N18 Cd2 130.2(4) . .
C12 N18 Cd2 127.4(4) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C15 C2 C4 119.3(7) 1_455 .
C15 C2 C1 120.7(8) 1_455 .
C4 C2 C1 119.9(7) . .
N17 C3 C4 111.1(5) . .
N17 C3 H3A 109.4 . .
C4 C3 H3A 109.4 . .
N17 C3 H3B 109.4 . .
C4 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
C5 C4 C2 120.4(6) . .
C5 C4 C3 120.3(7) . .
C2 C4 C3 119.2(7) . .
C4 C5 C26 119.6(7) . 2_567
C4 C5 C6 119.7(7) . .
C26 C5 C6 120.7(7) 2_567 .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N15 C7 N17 112.6(6) . .
N15 C7 C8 39.9(3) . .
N17 C7 C8 72.7(4) . .
N15 C7 H7 123.7 . .
N17 C7 H7 123.7 . .
C8 C7 H7 163.6 . .
N16 C8 N15 114.6(6) . .
N16 C8 C7 75.6(5) . .
N15 C8 C7 39.0(3) . .
N16 C8 H8 122.7 . .
N15 C8 H8 122.7 . .
C7 C8 H8 161.7 . .
C10 C9 C58 120.8(5) . 1_566
C10 C9 H9 119.6 . .
C58 C9 H9 119.6 1_566 .
C60 C10 C9 119.2(4) 1_566 .
C60 C10 C11 121.6(4) 1_566 .
C9 C10 C11 119.1(5) . .
O14 C11 O15 122.2(5) . .
O14 C11 C10 118.5(4) . .
O15 C11 C10 119.3(5) . .
N14 C12 N18 115.7(6) . .
N14 C12 H12 122.1 . .
N18 C12 H12 122.1 . .
N18 C13 N13 110.6(6) . .
N18 C13 H13 124.7 . .
N13 C13 H13 124.7 . .
N13 C14 C15 112.6(5) . .
N13 C14 H14A 109.1 . .
C15 C14 H14A 109.1 . .
N13 C14 H14B 109.1 . .
C15 C14 H14B 109.1 . .
H14A C14 H14B 107.8 . .
C2 C15 C16 120.8(7) 1_655 .
C2 C15 C14 120.1(7) 1_655 .
C16 C15 C14 119.1(7) . .
C26 C16 C15 119.5(6) 2_667 .
C26 C16 C17 119.9(7) 2_667 .
C15 C16 C17 120.5(7) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O12 C18 O11 122.1(5) . .
O12 C18 C19 119.1(5) . .
O11 C18 C19 118.7(5) . .
C20 C19 C21 118.1(4) . .
C20 C19 C18 120.5(5) . .
C21 C19 C18 121.3(5) . .
C24 C20 C19 121.1(5) . .
C24 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C22 C21 C19 120.8(5) . .
C22 C21 H21 119.6 . .
C19 C21 H21 119.6 . .
C21 C22 C23 120.6(5) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C24 C23 C22 118.7(5) . .
C24 C23 C25 122.2(5) . .
C22 C23 C25 119.0(5) . .
C23 C24 C20 120.5(5) . .
C23 C24 H24 119.8 . .
C20 C24 H24 119.8 . .
O9 C25 O10 123.4(6) . .
O9 C25 C23 119.0(7) . .
O10 C25 C23 117.6(6) . .
C16 C26 C5 120.1(6) 2_667 2_567
C16 C26 C27 120.6(7) 2_667 .
C5 C26 C27 119.3(7) 2_567 .
N11 C27 C26 110.3(5) . .
N11 C27 H27A 109.6 . .
C26 C27 H27A 109.6 . .
N11 C27 H27B 109.6 . .
C26 C27 H27B 109.6 . .
H27A C27 H27B 108.1 . .
N10 C28 N12 115.1(7) . .
N10 C28 H28 122.4 . .
N12 C28 H28 122.4 . .
N12 C29 N11 111.6(6) . .
N12 C29 H29 124.2 . .
N11 C29 H29 124.2 . .
O2 C30 O1 122.6(4) . .
O2 C30 C32 118.6(5) . .
O1 C30 C32 118.8(5) . .
C32 C31 C33 119.9(5) . 2_656
C32 C31 H31 120.0 . .
C33 C31 H31 120.0 2_656 .
C33 C32 C31 118.0(5) . .
C33 C32 C30 119.6(5) . .
C31 C32 C30 122.4(5) . .
C32 C33 C31 122.1(6) . 2_656
C32 C33 H33 119.0 . .
C31 C33 H33 119.0 2_656 .
N3 C34 N1 112.1(5) . .
N3 C34 H34 123.9 . .
N1 C34 H34 123.9 . .
N2 C35 N1 114.3(6) . .
N2 C35 H35 122.8 . .
N1 C35 H35 122.8 . .
N3 C36 C39 111.9(5) . .
N3 C36 H36A 109.2 . .
C39 C36 H36A 109.2 . .
N3 C36 H36B 109.2 . .
C39 C36 H36B 109.2 . .
H36A C36 H36B 107.9 . .
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C39 C38 C45 117.9(6) . .
C39 C38 C37 120.1(7) . .
C45 C38 C37 121.9(6) . .
C41 C39 C38 121.2(6) . .
C41 C39 C36 119.9(6) . .
C38 C39 C36 118.9(6) . .
C41 C40 H40A 109.5 . .
C41 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C41 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C39 C41 C42 119.8(5) . .
C39 C41 C40 119.9(6) . .
C42 C41 C40 120.2(6) . .
C44 C42 C41 120.0(6) . .
C44 C42 C43 120.4(6) . .
C41 C42 C43 119.6(5) . .
N4 C43 C42 112.8(5) . .
N4 C43 H43A 109.0 . .
C42 C43 H43A 109.0 . .
N4 C43 H43B 109.0 . .
C42 C43 H43B 109.0 . .
H43A C43 H43B 107.8 . .
C42 C44 C45 119.5(6) . .
C42 C44 C47 119.9(6) . .
C45 C44 C47 120.6(6) . .
C44 C45 C38 121.4(6) . .
C44 C45 C46 119.2(7) . .
C38 C45 C46 119.4(6) . .
N9 C46 C45 111.6(5) 1_655 .
N9 C46 H46A 109.3 1_655 .
C45 C46 H46A 109.3 . .
N9 C46 H46B 109.3 1_655 .
C45 C46 H46B 109.3 . .
H46A C46 H46B 108.0 . .
C44 C47 H47A 109.5 . .
C44 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C44 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N6 C48 N4 111.4(5) . .
N6 C48 H48 124.3 . .
N4 C48 H48 124.3 . .
N5 C49 N6 115.1(6) . .
N5 C49 H49 122.4 . .
N6 C49 H49 122.4 . .
C52 C50 C51 120.8(5) 2_566 .
C52 C50 H50 119.6 2_566 .
C51 C50 H50 119.6 . .
C52 C51 C50 118.7(5) . .
C52 C51 C53 122.1(5) . .
C50 C51 C53 119.2(5) . .
C50 C52 C51 120.5(5) 2_566 .
C50 C52 H52 119.7 2_566 .
C51 C52 H52 119.7 . .
O8 C53 O6 123.1(5) . .
O8 C53 C51 119.1(5) . .
O6 C53 C51 117.7(6) . .
N7 C54 N8 114.8(6) . .
N7 C54 H54 122.6 . .
N8 C54 H54 122.6 . .
N7 C55 N9 114.7(6) . .
N7 C55 H55 122.6 . .
N9 C55 H55 122.6 . .
O4 C56 O3 121.6(5) . .
O4 C56 C57 119.0(4) . .
O3 C56 C57 119.4(5) . .
C59 C57 C58 118.0(4) . .
C59 C57 C56 119.7(4) . .
C58 C57 C56 122.3(4) . .
C9 C58 C57 120.7(5) 1_544 .
C9 C58 H58 119.7 1_544 .
C57 C58 H58 119.7 . .
C57 C59 C60 121.5(5) . .
C57 C59 H59 119.3 . .
C60 C59 H59 119.3 . .
C10 C60 C59 119.8(4) 1_544 .
C10 C60 H60 120.1 1_544 .
C59 C60 H60 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O10 2.284(4) .
Cd1 N12 2.296(5) .
Cd1 O5 2.334(4) .
Cd1 N1 2.343(4) .
Cd1 O2 2.373(3) .
Cd1 O1 2.425(4) .
Cd2 N18 2.294(5) .
Cd2 N15 2.312(5) .
Cd2 O13 2.315(4) .
Cd2 O12 2.386(4) .
Cd2 O14 2.389(4) .
Cd2 O11 2.417(4) .
Cd2 O15 2.438(4) .
Cd3 N7 2.299(5) .
Cd3 N6 2.311(5) .
Cd3 O7 2.343(4) .
Cd3 O4 2.380(3) .
Cd3 O8 2.394(4) .
Cd3 O3 2.449(4) .
Cd3 O6 2.475(4) .
O1 C30 1.266(6) .
O2 C30 1.243(6) .
O3 C56 1.250(6) .
O4 C56 1.238(6) .
O6 C53 1.250(7) .
O8 C53 1.239(7) .
O9 C25 1.247(8) .
O10 C25 1.251(8) .
O11 C18 1.254(6) .
O12 C18 1.239(6) .
O14 C11 1.242(6) .
O15 C11 1.251(6) .
N1 C34 1.309(7) .
N1 C35 1.321(8) .
N2 C35 1.320(9) .
N2 N3 1.339(7) .
N3 C34 1.300(7) .
N3 C36 1.461(7) .
N4 C48 1.312(7) .
N4 N5 1.355(7) .
N4 C43 1.474(7) .
N5 C49 1.313(8) .
N6 C48 1.309(7) .
N6 C49 1.358(8) .
N7 C55 1.283(7) .
N7 C54 1.298(8) .
N8 N9 1.312(7) .
N8 C54 1.327(9) .
N9 C55 1.295(7) .
N9 C46 1.466(7) 1_455
N10 C28 1.311(9) .
N10 N11 1.338(8) .
N11 C29 1.322(7) .
N11 C27 1.475(8) .
N12 C29 1.310(8) .
N12 C28 1.330(8) .
N13 C13 1.324(7) .
N13 N14 1.348(7) .
N13 C14 1.478(8) .
N14 C12 1.305(8) .
N15 C7 1.291(7) .
N15 C8 1.316(8) .
N16 N17 1.299(7) .
N16 C8 1.308(9) .
N17 C7 1.309(7) .
N17 C3 1.459(7) .
N18 C13 1.309(7) .
N18 C12 1.344(8) .
C1 C2 1.531(10) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C15 1.374(9) 1_455
C2 C4 1.398(10) .
C3 C4 1.516(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.390(9) .
C5 C26 1.396(9) 2_567
C5 C6 1.509(10) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 2.014(9) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.373(7) .
C9 C58 1.380(7) 1_566
C9 H9 0.9300 .
C10 C60 1.371(7) 1_566
C10 C11 1.507(6) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.502(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C2 1.374(9) 1_655
C15 C16 1.400(9) .
C16 C26 1.386(9) 2_667
C16 C17 1.518(9) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.498(6) .
C19 C20 1.379(7) .
C19 C21 1.383(7) .
C20 C24 1.377(7) .
C20 H20 0.9300 .
C21 C22 1.373(7) .
C21 H21 0.9300 .
C22 C23 1.383(7) .
C22 H22 0.9300 .
C23 C24 1.377(8) .
C23 C25 1.507(7) .
C24 H24 0.9300 .
C26 C16 1.386(9) 2_667
C26 C5 1.396(9) 2_567
C26 C27 1.510(9) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C32 1.505(6) .
C31 C32 1.351(7) .
C31 C33 1.379(8) 2_656
C31 H31 0.9300 .
C32 C33 1.350(7) .
C33 C31 1.379(8) 2_656
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C39 1.512(8) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.501(9) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 C39 1.398(8) .
C38 C45 1.409(9) .
C39 C41 1.392(8) .
C40 C41 1.531(8) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 C42 1.402(8) .
C42 C44 1.393(8) .
C42 C43 1.501(8) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.395(9) .
C44 C47 1.528(9) .
C45 C46 1.524(8) .
C46 N9 1.466(7) 1_655
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 H48 0.9300 .
C49 H49 0.9300 .
C50 C52 1.375(7) 2_566
C50 C51 1.386(7) .
C50 H50 0.9300 .
C51 C52 1.385(8) .
C51 C53 1.510(7) .
C52 C50 1.375(7) 2_566
C52 H52 0.9300 .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 C57 1.496(6) .
C57 C59 1.377(6) .
C57 C58 1.380(7) .
C58 C9 1.380(7) 1_544
C58 H58 0.9300 .
C59 C60 1.385(7) .
C59 H59 0.9300 .
C60 C10 1.371(7) 1_544
C60 H60 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
O10 Cd1 O1 C30 -168.2(3) . .
N12 Cd1 O1 C30 100.3(3) . .
O5 Cd1 O1 C30 0.5(4) . .
N1 Cd1 O1 C30 -77.6(3) . .
O2 Cd1 O1 C30 5.7(3) . .
O10 Cd1 O2 C30 146.1(9) . .
N12 Cd1 O2 C30 -96.5(3) . .
O5 Cd1 O2 C30 170.5(3) . .
N1 Cd1 O2 C30 83.3(3) . .
O1 Cd1 O2 C30 -5.8(3) . .
N7 Cd3 O3 C56 85.1(3) . .
N6 Cd3 O3 C56 -92.3(3) . .
O7 Cd3 O3 C56 -16.3(4) . .
O4 Cd3 O3 C56 3.1(3) . .
O8 Cd3 O3 C56 -176.1(3) . .
O6 Cd3 O3 C56 168.0(3) . .
N7 Cd3 O4 C56 -110.3(4) . .
N6 Cd3 O4 C56 77.4(4) . .
O7 Cd3 O4 C56 162.9(4) . .
O8 Cd3 O4 C56 172.8(9) . .
O3 Cd3 O4 C56 -3.1(3) . .
O6 Cd3 O4 C56 -24.4(4) . .
N7 Cd3 O6 C53 -86.6(4) . .
N6 Cd3 O6 C53 86.1(4) . .
O7 Cd3 O6 C53 -7.8(5) . .
O4 Cd3 O6 C53 -175.8(3) . .
O8 Cd3 O6 C53 1.2(3) . .
O3 Cd3 O6 C53 167.2(4) . .
N7 Cd3 O8 C53 86.1(4) . .
N6 Cd3 O8 C53 -101.2(4) . .
O7 Cd3 O8 C53 173.3(4) . .
O4 Cd3 O8 C53 163.6(9) . .
O3 Cd3 O8 C53 -21.0(4) . .
O6 Cd3 O8 C53 -1.2(3) . .
N12 Cd1 O10 C25 87.0(4) . .
O5 Cd1 O10 C25 -179.2(4) . .
N1 Cd1 O10 C25 -93.2(4) . .
O2 Cd1 O10 C25 -155.0(8) . .
O1 Cd1 O10 C25 -7.0(5) . .
N18 Cd2 O11 C18 90.8(3) . .
N15 Cd2 O11 C18 -86.5(3) . .
O13 Cd2 O11 C18 2.9(4) . .
O12 Cd2 O11 C18 0.8(3) . .
O14 Cd2 O11 C18 -174.3(3) . .
O15 Cd2 O11 C18 -173.0(3) . .
N18 Cd2 O12 C18 -89.3(3) . .
N15 Cd2 O12 C18 91.2(3) . .
O13 Cd2 O12 C18 -179.5(3) . .
O14 Cd2 O12 C18 166.1(5) . .
O11 Cd2 O12 C18 -0.8(3) . .
O15 Cd2 O12 C18 8.6(4) . .
N18 Cd2 O14 C11 97.7(4) . .
N15 Cd2 O14 C11 -83.5(4) . .
O13 Cd2 O14 C11 -172.9(4) . .
O12 Cd2 O14 C11 -158.4(5) . .
O11 Cd2 O14 C11 5.2(5) . .
O15 Cd2 O14 C11 3.6(3) . .
N18 Cd2 O15 C11 -94.9(3) . .
N15 Cd2 O15 C11 86.6(3) . .
O13 Cd2 O15 C11 1.2(4) . .
O12 Cd2 O15 C11 169.8(3) . .
O14 Cd2 O15 C11 -3.6(3) . .
O11 Cd2 O15 C11 177.5(3) . .
O10 Cd1 N1 C34 -122.3(5) . .
N12 Cd1 N1 C34 53(4) . .
O5 Cd1 N1 C34 -32.6(4) . .
O2 Cd1 N1 C34 49.3(4) . .
O1 Cd1 N1 C34 104.3(4) . .
O10 Cd1 N1 C35 73.6(7) . .
N12 Cd1 N1 C35 -111(4) . .
O5 Cd1 N1 C35 163.3(7) . .
O2 Cd1 N1 C35 -114.8(7) . .
O1 Cd1 N1 C35 -59.8(7) . .
C35 N2 N3 C34 -1.6(9) . .
C35 N2 N3 C36 177.7(7) . .
C48 N4 N5 C49 0.5(8) . .
C43 N4 N5 C49 -178.6(6) . .
N7 Cd3 N6 C48 -171.5(10) . .
O7 Cd3 N6 C48 -145.1(5) . .
O4 Cd3 N6 C48 -62.5(5) . .
O8 Cd3 N6 C48 125.8(5) . .
O3 Cd3 N6 C48 -9.4(5) . .
O6 Cd3 N6 C48 72.7(5) . .
N7 Cd3 N6 C49 -9.9(15) . .
O7 Cd3 N6 C49 16.5(6) . .
O4 Cd3 N6 C49 99.1(6) . .
O8 Cd3 N6 C49 -72.6(6) . .
O3 Cd3 N6 C49 152.2(6) . .
O6 Cd3 N6 C49 -125.7(6) . .
N6 Cd3 N7 C55 -72.4(14) . .
O7 Cd3 N7 C55 -98.7(7) . .
O4 Cd3 N7 C55 178.8(7) . .
O8 Cd3 N7 C55 -9.3(7) . .
O3 Cd3 N7 C55 126.0(7) . .
O6 Cd3 N7 C55 44.3(7) . .
N6 Cd3 N7 C54 85.5(14) . .
O7 Cd3 N7 C54 59.2(7) . .
O4 Cd3 N7 C54 -23.3(7) . .
O8 Cd3 N7 C54 148.6(7) . .
O3 Cd3 N7 C54 -76.1(7) . .
O6 Cd3 N7 C54 -157.8(7) . .
C54 N8 N9 C55 5.6(10) . .
C54 N8 N9 C46 179.3(7) . 1_455
C28 N10 N11 C29 0.8(9) . .
C28 N10 N11 C27 177.0(7) . .
O10 Cd1 N12 C29 -74.4(5) . .
O5 Cd1 N12 C29 -164.3(5) . .
N1 Cd1 N12 C29 110(4) . .
O2 Cd1 N12 C29 113.9(5) . .
O1 Cd1 N12 C29 59.2(5) . .
O10 Cd1 N12 C28 77.4(7) . .
O5 Cd1 N12 C28 -12.5(7) . .
N1 Cd1 N12 C28 -98(4) . .
O2 Cd1 N12 C28 -94.3(6) . .
O1 Cd1 N12 C28 -149.1(6) . .
C13 N13 N14 C12 0.4(7) . .
C14 N13 N14 C12 -178.7(6) . .
N18 Cd2 N15 C7 168(3) . .
O13 Cd2 N15 C7 92.4(6) . .
O12 Cd2 N15 C7 178.3(6) . .
O14 Cd2 N15 C7 11.8(6) . .
O11 Cd2 N15 C7 -127.8(6) . .
O15 Cd2 N15 C7 -42.0(6) . .
N18 Cd2 N15 C8 -17(4) . .
O13 Cd2 N15 C8 -92.5(8) . .
O12 Cd2 N15 C8 -6.7(8) . .
O14 Cd2 N15 C8 -173.1(8) . .
O11 Cd2 N15 C8 47.3(8) . .
O15 Cd2 N15 C8 133.1(8) . .
C8 N16 N17 C7 -1.6(11) . .
C8 N16 N17 C3 178.9(9) . .
N15 Cd2 N18 C13 -43(3) . .
O13 Cd2 N18 C13 31.9(5) . .
O12 Cd2 N18 C13 -53.9(5) . .
O14 Cd2 N18 C13 112.5(5) . .
O11 Cd2 N18 C13 -107.9(5) . .
O15 Cd2 N18 C13 166.4(5) . .
N15 Cd2 N18 C12 129(3) . .
O13 Cd2 N18 C12 -156.1(5) . .
O12 Cd2 N18 C12 118.0(5) . .
O14 Cd2 N18 C12 -75.6(5) . .
O11 Cd2 N18 C12 64.0(5) . .
O15 Cd2 N18 C12 -21.6(5) . .
N16 N17 C3 C4 -175.4(8) . .
C7 N17 C3 C4 5.3(12) . .
C15 C2 C4 C5 -4.2(9) 1_455 .
C1 C2 C4 C5 175.8(6) . .
C15 C2 C4 C3 176.9(5) 1_455 .
C1 C2 C4 C3 -3.2(9) . .
N17 C3 C4 C5 -89.4(8) . .
N17 C3 C4 C2 89.6(8) . .
C2 C4 C5 C26 4.3(9) . 2_567
C3 C4 C5 C26 -176.8(5) . 2_567
C2 C4 C5 C6 -177.0(6) . .
C3 C4 C5 C6 1.9(9) . .
C8 N15 C7 N17 -0.8(9) . .
Cd2 N15 C7 N17 175.5(4) . .
Cd2 N15 C7 C8 176.2(9) . .
N16 N17 C7 N15 1.6(10) . .
C3 N17 C7 N15 -179.0(7) . .
N16 N17 C7 C8 1.1(7) . .
C3 N17 C7 C8 -179.5(9) . .
N17 N16 C8 N15 1.2(14) . .
N17 N16 C8 C7 1.0(7) . .
C7 N15 C8 N16 -0.3(12) . .
Cd2 N15 C8 N16 -176.3(7) . .
Cd2 N15 C8 C7 -176.0(9) . .
N15 C7 C8 N16 179.7(12) . .
N17 C7 C8 N16 -1.0(7) . .
N17 C7 C8 N15 179.3(9) . .
C58 C9 C10 C60 -0.9(8) 1_566 1_566
C58 C9 C10 C11 -179.8(5) 1_566 .
Cd2 O14 C11 O15 -6.7(6) . .
Cd2 O14 C11 C10 171.2(4) . .
Cd2 O15 C11 O14 6.6(6) . .
Cd2 O15 C11 C10 -171.3(4) . .
C60 C10 C11 O14 174.6(5) 1_566 .
C9 C10 C11 O14 -6.5(8) . .
C60 C10 C11 O15 -7.4(8) 1_566 .
C9 C10 C11 O15 171.4(5) . .
N13 N14 C12 N18 -1.6(7) . .
C13 N18 C12 N14 2.1(7) . .
Cd2 N18 C12 N14 -171.6(4) . .
C12 N18 C13 N13 -1.7(7) . .
Cd2 N18 C13 N13 171.8(4) . .
N14 N13 C13 N18 0.8(8) . .
C14 N13 C13 N18 179.8(7) . .
C13 N13 C14 C15 -1.3(12) . .
N14 N13 C14 C15 177.6(6) . .
N13 C14 C15 C2 92.5(8) . 1_655
N13 C14 C15 C16 -88.6(8) . .
C2 C15 C16 C26 3.6(9) 1_655 2_667
C14 C15 C16 C26 -175.3(5) . 2_667
C2 C15 C16 C17 -173.0(6) 1_655 .
C14 C15 C16 C17 8.1(8) . .
Cd2 O12 C18 O11 1.5(6) . .
Cd2 O12 C18 C19 179.6(4) . .
Cd2 O11 C18 O12 -1.5(5) . .
Cd2 O11 C18 C19 -179.6(4) . .
O12 C18 C19 C20 7.6(8) . .
O11 C18 C19 C20 -174.3(5) . .
O12 C18 C19 C21 -170.8(5) . .
O11 C18 C19 C21 7.2(7) . .
C21 C19 C20 C24 2.0(8) . .
C18 C19 C20 C24 -176.4(5) . .
C20 C19 C21 C22 -3.7(8) . .
C18 C19 C21 C22 174.8(5) . .
C19 C21 C22 C23 2.5(8) . .
C21 C22 C23 C24 0.5(8) . .
C21 C22 C23 C25 -176.0(5) . .
C22 C23 C24 C20 -2.1(8) . .
C25 C23 C24 C20 174.2(5) . .
C19 C20 C24 C23 0.8(8) . .
Cd1 O10 C25 O9 -7.4(7) . .
Cd1 O10 C25 C23 171.9(4) . .
C24 C23 C25 O9 13.8(8) . .
C22 C23 C25 O9 -169.9(5) . .
C24 C23 C25 O10 -165.6(5) . .
C22 C23 C25 O10 10.7(8) . .
C29 N11 C27 C26 39.0(11) . .
N10 N11 C27 C26 -136.3(7) . .
C16 C26 C27 N11 -102.6(8) 2_667 .
C5 C26 C27 N11 77.9(8) 2_567 .
N11 N10 C28 N12 -0.4(10) . .
C29 N12 C28 N10 -0.2(9) . .
Cd1 N12 C28 N10 -154.7(6) . .
C28 N12 C29 N11 0.7(8) . .
Cd1 N12 C29 N11 161.2(4) . .
N10 N11 C29 N12 -1.0(8) . .
C27 N11 C29 N12 -176.8(6) . .
Cd1 O2 C30 O1 10.9(5) . .
Cd1 O2 C30 C32 -168.6(4) . .
Cd1 O1 C30 O2 -10.6(5) . .
Cd1 O1 C30 C32 168.9(4) . .
C33 C31 C32 C33 -1.7(13) 2_656 .
C33 C31 C32 C30 179.5(6) 2_656 .
O2 C30 C32 C33 3.6(8) . .
O1 C30 C32 C33 -175.9(6) . .
O2 C30 C32 C31 -177.6(6) . .
O1 C30 C32 C31 2.9(8) . .
C31 C32 C33 C31 1.8(13) . 2_656
C30 C32 C33 C31 -179.4(7) . 2_656
N2 N3 C34 N1 0.7(8) . .
C36 N3 C34 N1 -178.5(6) . .
C35 N1 C34 N3 0.6(7) . .
Cd1 N1 C34 N3 -168.5(4) . .
N3 N2 C35 N1 2.1(10) . .
C34 N1 C35 N2 -1.7(9) . .
Cd1 N1 C35 N2 164.2(5) . .
C34 N3 C36 C39 -6.9(10) . .
N2 N3 C36 C39 174.0(7) . .
C45 C38 C39 C41 1.8(8) . .
C37 C38 C39 C41 179.7(5) . .
C45 C38 C39 C36 -178.6(5) . .
C37 C38 C39 C36 -0.7(8) . .
N3 C36 C39 C41 87.4(7) . .
N3 C36 C39 C38 -92.2(7) . .
C38 C39 C41 C42 -3.3(8) . .
C36 C39 C41 C42 177.1(5) . .
C38 C39 C41 C40 176.7(5) . .
C36 C39 C41 C40 -2.9(8) . .
C39 C41 C42 C44 2.8(8) . .
C40 C41 C42 C44 -177.2(5) . .
C39 C41 C42 C43 -176.9(5) . .
C40 C41 C42 C43 3.1(8) . .
C48 N4 C43 C42 14.1(9) . .
N5 N4 C43 C42 -167.0(6) . .
C44 C42 C43 N4 82.9(7) . .
C41 C42 C43 N4 -97.3(6) . .
C41 C42 C44 C45 -0.9(8) . .
C43 C42 C44 C45 178.8(5) . .
C41 C42 C44 C47 179.1(5) . .
C43 C42 C44 C47 -1.2(8) . .
C42 C44 C45 C38 -0.6(8) . .
C47 C44 C45 C38 179.4(6) . .
C42 C44 C45 C46 178.8(5) . .
C47 C44 C45 C46 -1.2(8) . .
C39 C38 C45 C44 0.2(8) . .
C37 C38 C45 C44 -177.7(6) . .
C39 C38 C45 C46 -179.2(5) . .
C37 C38 C45 C46 2.9(8) . .
C44 C45 C46 N9 94.2(7) . 1_655
C38 C45 C46 N9 -86.3(7) . 1_655
C49 N6 C48 N4 1.4(7) . .
Cd3 N6 C48 N4 166.8(4) . .
N5 N4 C48 N6 -1.3(8) . .
C43 N4 C48 N6 177.7(6) . .
N4 N5 C49 N6 0.5(8) . .
C48 N6 C49 N5 -1.2(8) . .
Cd3 N6 C49 N5 -166.5(5) . .
C52 C50 C51 C52 0.2(9) 2_566 .
C52 C50 C51 C53 179.1(5) 2_566 .
C50 C51 C52 C50 -0.2(9) . 2_566
C53 C51 C52 C50 -179.0(5) . 2_566
Cd3 O8 C53 O6 2.3(6) . .
Cd3 O8 C53 C51 -175.8(4) . .
Cd3 O6 C53 O8 -2.2(6) . .
Cd3 O6 C53 C51 175.9(4) . .
C52 C51 C53 O8 168.4(5) . .
C50 C51 C53 O8 -10.4(8) . .
C52 C51 C53 O6 -9.7(8) . .
C50 C51 C53 O6 171.4(5) . .
C55 N7 C54 N8 -5.3(11) . .
Cd3 N7 C54 N8 -167.7(6) . .
N9 N8 C54 N7 -0.2(11) . .
C54 N7 C55 N9 9.2(10) . .
Cd3 N7 C55 N9 171.9(5) . .
N8 N9 C55 N7 -9.9(10) . .
C46 N9 C55 N7 177.8(7) 1_455 .
Cd3 O4 C56 O3 5.8(6) . .
Cd3 O4 C56 C57 -174.0(4) . .
Cd3 O3 C56 O4 -5.6(5) . .
Cd3 O3 C56 C57 174.1(4) . .
O4 C56 C57 C59 7.8(7) . .
O3 C56 C57 C59 -172.0(5) . .
O4 C56 C57 C58 -171.2(5) . .
O3 C56 C57 C58 9.0(8) . .
C59 C57 C58 C9 -1.9(8) . 1_544
C56 C57 C58 C9 177.1(5) . 1_544
C58 C57 C59 C60 1.6(8) . .
C56 C57 C59 C60 -177.4(5) . .
C57 C59 C60 C10 -1.0(8) . 1_544
