#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:41:24 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/22/7702221.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_7702221
loop_
_publ_author_name
'Gu, Jin-Zhong'
'Cai, Yan'
'Wen, Min'
'Shi, Zi-Fa'
'Kirillov, Alexander M.'
_publ_section_title
;
 A new series of Cd(ii) metal-organic architectures driven by soft
 ether-bridged tricarboxylate spacers: synthesis, structural and
 topological versatility, and photocatalytic properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14327
_journal_page_last               14339
_journal_paper_doi               10.1039/c8dt02467g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C62 H52 Cd3 N6 O19'
_chemical_formula_weight         1522.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-04 deposited with the CCDC.
2018-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                107.862(6)
_cell_angle_beta                 99.739(5)
_cell_angle_gamma                101.247(6)
_cell_formula_units_Z            2
_cell_length_a                   9.5391(6)
_cell_length_b                   17.7666(13)
_cell_length_c                   20.4954(12)
_cell_measurement_reflns_used    20160
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.050
_cell_measurement_theta_min      3.315
_cell_volume                     3143.5(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APE-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.1153
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20160
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         3.315
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.083
_exptl_absorpt_correction_T_max  0.805
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_description       block
_exptl_crystal_F_000             1524
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.210
_exptl_transmission_factor_max   0.797
_exptl_transmission_factor_min   0.763
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     805
_refine_ls_number_reflns         11140
_refine_ls_number_restraints     129
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1306
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0476P)²+11.1805P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1777
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6445
_reflns_number_total             11140
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02467g2.cif
_cod_data_source_block           348-16Cd
_cod_database_code               7702221
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.774
_shelx_estimated_absorpt_t_max   0.805
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd1 Cd 0.89767(8) 0.75454(5) 0.24883(4) 0.0532(2) Uani 1 1 d . .
Cd2 Cd 0.52774(8) 0.91821(4) -0.14475(3) 0.0479(2) Uani 1 1 d . .
Cd3 Cd -0.11455(8) 0.49759(4) -0.37439(3) 0.0471(2) Uani 1 1 d . .
N1 N 1.0746(12) 0.8799(6) 0.2810(5) 0.077(3) Uani 1 1 d . .
N2 N 1.1121(9) 0.7329(7) 0.2134(5) 0.066(2) Uani 1 1 d . .
N3 N 0.7303(9) 1.0340(5) -0.0955(4) 0.062(2) Uani 1 1 d . .
N4 N 0.7432(11) 0.8805(6) -0.1621(5) 0.068(3) Uani 1 1 d . .
N5 N -0.2444(10) 0.5796(6) -0.4167(5) 0.068(3) Uani 1 1 d . .
N6 N -0.3567(10) 0.4717(7) -0.3607(5) 0.077(3) Uani 1 1 d . .
O1 O 0.7996(7) 0.7873(5) 0.1494(3) 0.0657(19) Uani 1 1 d . .
O2 O 0.7095(8) 0.6640(4) 0.1472(3) 0.066(2) Uani 1 1 d . .
O3 O 0.5847(8) 0.8861(4) -0.0351(3) 0.0608(18) Uani 1 1 d . .
O4 O 0.4170(9) 0.7988(4) -0.1286(4) 0.073(2) Uani 1 1 d . .
O5 O 0.1607(7) 0.5282(4) -0.1290(3) 0.0577(18) Uani 1 1 d . .
O6 O -0.0674(9) 0.6018(5) -0.2569(4) 0.074(2) Uani 1 1 d . .
O7 O -0.0415(8) 0.4815(4) -0.2635(3) 0.071(2) Uani 1 1 d . .
O8 O 0.5978(8) 1.0571(5) 0.2449(3) 0.082(3) Uani 1 1 d . .
O9 O 0.5641(10) 1.1799(5) 0.2669(4) 0.095(3) Uani 1 1 d . .
O10 O 0.9018(9) 1.3637(4) 0.5872(3) 0.072(2) Uani 1 1 d . .
O11 O 0.8266(7) 1.4025(4) 0.4992(3) 0.0551(18) Uani 1 1 d . .
O12 O 0.8575(14) 0.9853(7) 0.4358(5) 0.1302(18) Uani 1 1 d . U
O13 O 0.8515(13) 0.7944(7) 0.3627(6) 0.137(2) Uani 1 1 d . U
O14 O 0.7151(13) 0.8318(7) 0.2939(6) 0.138(2) Uani 1 1 d . U
O15 O 0.9064(8) 0.6421(4) 0.2858(3) 0.069(2) Uani 1 1 d . .
H1W H 0.8901 0.6011 0.2480 0.083 Uiso 1 1 d R U
H2W H 0.9614 0.6407 0.3224 0.083 Uiso 1 1 d R U
O16 O 0.3788(7) 0.9935(4) -0.0935(3) 0.068(2) Uani 1 1 d . .
H3W H 0.3436 1.0153 -0.1117 0.081 Uiso 1 1 d R U
H4W H 0.3905 1.0305 -0.0536 0.081 Uiso 1 1 d R U
O17 O 0.1027(7) 0.5612(4) -0.3856(3) 0.069(2) Uani 1 1 d . .
H5W H 0.1619 0.5880 -0.3564 0.082 Uiso 1 1 d R U
H6W H 0.1238 0.5721 -0.4210 0.082 Uiso 1 1 d R U
O18 O 0.7327(14) 0.9368(6) 0.1815(4) 0.153(5) Uani 1 1 d . .
H7W H 0.7533 0.8908 0.1716 0.183 Uiso 1 1 d R U
H8W H 0.6919 0.9734 0.2137 0.183 Uiso 1 1 d R U
O19 O 0.7395(17) 0.3252(7) 0.2662(5) 0.207(7) Uani 1 1 d . .
H9W H 0.6927 0.2891 0.2263 0.249 Uiso 1 1 d R U
H10W H 0.8365 0.3346 0.2539 0.249 Uiso 1 1 d R U
C1 C 0.7093(10) 0.7180(6) 0.1211(5) 0.046(2) Uani 1 1 d . .
C2 C 0.5952(9) 0.7040(6) 0.0545(4) 0.041(2) Uani 1 1 d . .
C3 C 0.5955(9) 0.7646(6) 0.0257(4) 0.041(2) Uani 1 1 d . .
H3 H 0.6644 0.8152 0.0481 0.049 Uiso 1 1 calc R U
C4 C 0.4935(10) 0.7505(6) -0.0366(5) 0.044(2) Uani 1 1 d . .
C5 C 0.4984(12) 0.8164(7) -0.0684(5) 0.053(3) Uani 1 1 d . .
C6 C 0.3944(10) 0.6738(6) -0.0707(5) 0.048(2) Uani 1 1 d . .
H6 H 0.3288 0.6636 -0.1134 0.058 Uiso 1 1 calc R U
C7 C 0.3911(10) 0.6127(5) -0.0428(5) 0.048(2) Uani 1 1 d . .
C8 C 0.4942(10) 0.6276(6) 0.0208(5) 0.048(2) Uani 1 1 d . .
H8 H 0.4946 0.5866 0.0401 0.058 Uiso 1 1 calc R U
C9 C 0.2869(11) 0.5274(6) -0.0804(5) 0.064(3) Uani 1 1 d . .
H9A H 0.3391 0.4911 -0.1058 0.077 Uiso 1 1 calc R U
H9B H 0.2546 0.5061 -0.0456 0.077 Uiso 1 1 calc R U
C10 C 0.0525(11) 0.5605(6) -0.1026(5) 0.052(3) Uani 1 1 d . .
C11 C -0.0505(11) 0.5726(5) -0.1523(5) 0.047(2) Uani 1 1 d . .
C12 C -0.0512(10) 0.5511(7) -0.2288(5) 0.050(2) Uani 1 1 d . .
C13 C -0.1663(12) 0.6021(7) -0.1300(5) 0.067(3) Uani 1 1 d . .
H13 H -0.2391 0.6083 -0.1628 0.081 Uiso 1 1 calc R U
C14 C -0.1753(15) 0.6218(8) -0.0614(7) 0.090(4) Uani 1 1 d . .
H14 H -0.2524 0.6418 -0.0471 0.109 Uiso 1 1 calc R U
C15 C -0.0685(17) 0.6113(8) -0.0142(6) 0.084(4) Uani 1 1 d . .
H15 H -0.0750 0.6244 0.0325 0.100 Uiso 1 1 calc R U
C16 C 0.0480(14) 0.5825(6) -0.0322(6) 0.069(3) Uani 1 1 d . .
H16 H 0.1210 0.5778 0.0015 0.082 Uiso 1 1 calc R U
C17 C 0.6204(12) 1.1295(8) 0.2845(5) 0.063(3) Uani 1 1 d . .
C18 C 0.7125(11) 1.1570(6) 0.3595(5) 0.055(3) Uani 1 1 d . .
C19 C 0.7424(11) 1.2369(6) 0.4039(5) 0.055(3) Uani 1 1 d . .
H19 H 0.7052 1.2744 0.3878 0.066 Uiso 1 1 calc R U
C20 C 0.8278(11) 1.2622(6) 0.4727(4) 0.050(2) Uani 1 1 d . .
C21 C 0.8549(10) 1.3484(6) 0.5226(5) 0.049(2) Uani 1 1 d . .
C22 C 0.8822(13) 1.2071(7) 0.4954(5) 0.078(4) Uani 1 1 d . .
H22 H 0.9371 1.2238 0.5418 0.094 Uiso 1 1 calc R U
C23 C 0.858(2) 1.1263(11) 0.4512(9) 0.128(2) Uani 1 1 d . U
C24 C 0.7687(13) 1.1021(7) 0.3830(5) 0.081(4) Uani 1 1 d . .
H24 H 0.7471 1.0479 0.3531 0.097 Uiso 1 1 calc R U
C25 C 0.9350(19) 1.0738(10) 0.4786(8) 0.129(2) Uani 1 1 d . U
H25A H 0.9347 1.0848 0.5279 0.154 Uiso 1 1 calc R U
H25B H 1.0366 1.0855 0.4752 0.154 Uiso 1 1 calc R U
C26 C 0.737(2) 0.9417(10) 0.4511(9) 0.1353(18) Uani 1 1 d G U
C27 C 0.686(2) 0.8592(10) 0.4094(9) 0.1353(18) Uani 1 1 d G U
C28 C 0.749(2) 0.8219(12) 0.3482(10) 0.1365(19) Uani 1 1 d . U
C29 C 0.5585(17) 0.8182(7) 0.4164(6) 0.1375(19) Uani 1 1 d G U
H29 H 0.5050 0.7686 0.3814 0.165 Uiso 1 1 calc R U
C30 C 0.5065(12) 0.8498(7) 0.4757(6) 0.140(2) Uani 1 1 d G U
H30 H 0.4299 0.8169 0.4852 0.168 Uiso 1 1 calc R U
C31 C 0.5690(14) 0.9305(8) 0.5208(5) 0.141(2) Uani 1 1 d G U
H31 H 0.5343 0.9516 0.5604 0.170 Uiso 1 1 calc R U
C32 C 0.6835(15) 0.9796(7) 0.5065(7) 0.1397(19) Uani 1 1 d G U
H32 H 0.7215 1.0351 0.5332 0.168 Uiso 1 1 calc R U
C33 C 1.0426(15) 0.9507(9) 0.3069(7) 0.097(4) Uani 1 1 d . .
H33 H 0.9558 0.9509 0.3218 0.117 Uiso 1 1 calc R U
C34 C 1.135(2) 1.0251(10) 0.3127(9) 0.135(6) Uani 1 1 d . .
H34 H 1.1095 1.0742 0.3290 0.162 Uiso 1 1 calc R U
C35 C 1.266(2) 1.0227(15) 0.2933(11) 0.148(8) Uani 1 1 d . .
H35 H 1.3311 1.0711 0.2972 0.178 Uiso 1 1 calc R U
C36 C 1.301(2) 0.9503(12) 0.2686(9) 0.122(6) Uani 1 1 d . .
H36 H 1.3908 0.9494 0.2570 0.147 Uiso 1 1 calc R U
C37 C 1.2017(14) 0.8781(10) 0.2606(6) 0.079(4) Uani 1 1 d . .
C38 C 1.2268(14) 0.7980(10) 0.2304(6) 0.077(4) Uani 1 1 d . .
C39 C 1.3672(14) 0.7873(11) 0.2190(8) 0.104(5) Uani 1 1 d . .
H39 H 1.4485 0.8319 0.2311 0.124 Uiso 1 1 calc R U
C40 C 1.3755(18) 0.7097(13) 0.1900(8) 0.109(5) Uani 1 1 d . .
H40 H 1.4663 0.7013 0.1837 0.131 Uiso 1 1 calc R U
C41 C 1.2594(17) 0.6435(11) 0.1695(7) 0.101(5) Uani 1 1 d . .
H41 H 1.2672 0.5908 0.1475 0.121 Uiso 1 1 calc R U
C42 C 1.1283(13) 0.6579(9) 0.1829(6) 0.081(4) Uani 1 1 d . .
H42 H 1.0469 0.6132 0.1700 0.097 Uiso 1 1 calc R U
C43 C 0.7197(15) 1.1097(8) -0.0651(7) 0.095(4) Uani 1 1 d . .
H43 H 0.6262 1.1180 -0.0661 0.114 Uiso 1 1 calc R U
C44 C 0.8393(19) 1.1759(10) -0.0324(12) 0.189(6) Uani 1 1 d . U
H44 H 0.8279 1.2282 -0.0121 0.227 Uiso 1 1 calc R U
C45 C 0.974(2) 1.1631(10) -0.0304(12) 0.190(6) Uani 1 1 d . U
H45 H 1.0570 1.2067 -0.0065 0.228 Uiso 1 1 calc R U
C46 C 0.9906(19) 1.0875(10) -0.0626(12) 0.189(6) Uani 1 1 d . U
H46 H 1.0843 1.0800 -0.0628 0.227 Uiso 1 1 calc R U
C47 C 0.8657(14) 1.0206(8) -0.0957(7) 0.084(4) Uani 1 1 d . .
C48 C 0.8702(14) 0.9369(8) -0.1320(7) 0.084(4) Uani 1 1 d . .
C49 C 1.0034(18) 0.9185(11) -0.1339(11) 0.159(8) Uani 1 1 d . .
H49 H 1.0912 0.9589 -0.1106 0.190 Uiso 1 1 calc R U
C50 C 1.006(2) 0.8416(14) -0.1699(14) 0.188(11) Uani 1 1 d . .
H50 H 1.0951 0.8293 -0.1730 0.225 Uiso 1 1 calc R U
C51 C 0.879(2) 0.7825(11) -0.2012(11) 0.147(8) Uani 1 1 d . .
H51 H 0.8798 0.7288 -0.2251 0.177 Uiso 1 1 calc R U
C52 C 0.7481(18) 0.8037(8) -0.1970(7) 0.104(5) Uani 1 1 d . .
H52 H 0.6598 0.7633 -0.2190 0.125 Uiso 1 1 calc R U
C53 C -0.1875(16) 0.6295(10) -0.4480(8) 0.112(5) Uani 1 1 d . .
H53 H -0.0916 0.6318 -0.4528 0.134 Uiso 1 1 calc R U
C54 C -0.260(2) 0.6776(13) -0.4737(11) 0.166(9) Uani 1 1 d . .
H54 H -0.2165 0.7128 -0.4944 0.199 Uiso 1 1 calc R U
C55 C -0.400(2) 0.6703(15) -0.4669(12) 0.171(9) Uani 1 1 d . .
H55 H -0.4558 0.6997 -0.4854 0.205 Uiso 1 1 calc R U
C56 C -0.4617(18) 0.6212(12) -0.4339(11) 0.139(7) Uani 1 1 d . .
H56 H -0.5575 0.6185 -0.4291 0.166 Uiso 1 1 calc R U
C57 C -0.3795(13) 0.5748(8) -0.4072(7) 0.086(4) Uani 1 1 d . .
C58 C -0.4365(17) 0.5207(12) -0.3748(13) 0.162(4) Uani 1 1 d . U
C59 C -0.5641(16) 0.5231(12) -0.3543(12) 0.165(4) Uani 1 1 d . U
H59 H -0.6165 0.5597 -0.3624 0.198 Uiso 1 1 calc R U
C60 C -0.6142(17) 0.4702(12) -0.3213(12) 0.166(4) Uani 1 1 d . U
H60 H -0.7024 0.4708 -0.3077 0.200 Uiso 1 1 calc R U
C61 C -0.5362(18) 0.4162(12) -0.3078(12) 0.170(9) Uani 1 1 d . .
H61 H -0.5700 0.3794 -0.2864 0.204 Uiso 1 1 calc R U
C62 C -0.4055(14) 0.4206(9) -0.3282(8) 0.097(4) Uani 1 1 d . .
H62 H -0.3482 0.3865 -0.3190 0.117 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Cd1 N1 69.7(4) . .
N2 Cd1 O15 83.9(3) . .
N1 Cd1 O15 129.7(3) . .
N2 Cd1 O13 130.6(4) . .
N1 Cd1 O13 90.2(4) . .
O15 Cd1 O13 75.2(3) . .
N2 Cd1 O1 94.9(3) . .
N1 Cd1 O1 84.4(3) . .
O15 Cd1 O1 141.7(2) . .
O13 Cd1 O1 128.5(3) . .
N2 Cd1 O2 101.7(3) . .
N1 Cd1 O2 137.6(3) . .
O15 Cd1 O2 88.3(2) . .
O13 Cd1 O2 121.4(4) . .
O1 Cd1 O2 54.3(2) . .
N2 Cd1 O14 158.8(4) . .
N1 Cd1 O14 89.5(4) . .
O15 Cd1 O14 113.9(3) . .
O13 Cd1 O14 50.5(4) . .
O1 Cd1 O14 78.3(3) . .
O2 Cd1 O14 90.7(3) . .
O16 Cd2 O4 95.2(3) . .
O16 Cd2 N4 158.7(3) . .
O4 Cd2 N4 95.3(3) . .
O16 Cd2 N3 90.5(3) . .
O4 Cd2 N3 142.6(3) . .
N4 Cd2 N3 70.1(3) . .
O16 Cd2 O8 79.8(2) . 2_675
O4 Cd2 O8 115.8(3) . 2_675
N4 Cd2 O8 111.9(3) . 2_675
N3 Cd2 O8 101.6(3) . 2_675
O16 Cd2 O9 120.0(3) . 2_675
O4 Cd2 O9 77.7(3) . 2_675
N4 Cd2 O9 80.4(3) . 2_675
N3 Cd2 O9 130.0(3) . 2_675
O8 Cd2 O9 53.4(3) 2_675 2_675
O16 Cd2 O3 87.7(2) . .
O4 Cd2 O3 54.2(2) . .
N4 Cd2 O3 83.6(3) . .
N3 Cd2 O3 89.3(3) . .
O8 Cd2 O3 163.3(3) 2_675 .
O9 Cd2 O3 127.2(3) 2_675 .
O17 Cd3 O10 99.7(3) . 1_444
O17 Cd3 N6 161.5(3) . .
O10 Cd3 N6 98.1(3) 1_444 .
O17 Cd3 N5 94.1(3) . .
O10 Cd3 N5 137.7(3) 1_444 .
N6 Cd3 N5 69.1(4) . .
O17 Cd3 O7 101.0(3) . .
O10 Cd3 O7 80.0(2) 1_444 .
N6 Cd3 O7 87.0(3) . .
N5 Cd3 O7 136.1(3) . .
O17 Cd3 O6 89.0(3) . .
O10 Cd3 O6 133.2(2) 1_444 .
N6 Cd3 O6 82.4(3) . .
N5 Cd3 O6 86.4(3) . .
O7 Cd3 O6 53.2(2) . .
O17 Cd3 O11 90.0(2) . 1_444
O10 Cd3 O11 53.5(2) 1_444 1_444
N6 Cd3 O11 96.5(3) . 1_444
N5 Cd3 O11 86.9(3) . 1_444
O7 Cd3 O11 133.5(2) . 1_444
O6 Cd3 O11 173.2(2) . 1_444
C33 N1 C37 120.1(12) . .
C33 N1 Cd1 121.5(9) . .
C37 N1 Cd1 117.4(9) . .
C38 N2 C42 119.1(11) . .
C38 N2 Cd1 118.0(9) . .
C42 N2 Cd1 122.6(8) . .
C43 N3 C47 119.3(10) . .
C43 N3 Cd2 123.8(8) . .
C47 N3 Cd2 116.7(7) . .
C48 N4 C52 117.4(11) . .
C48 N4 Cd2 118.1(7) . .
C52 N4 Cd2 124.3(9) . .
C57 N5 C53 120.6(11) . .
C57 N5 Cd3 116.5(9) . .
C53 N5 Cd3 123.0(8) . .
C58 N6 C62 119.7(12) . .
C58 N6 Cd3 116.9(10) . .
C62 N6 Cd3 122.3(8) . .
C1 O1 Cd1 91.6(6) . .
C1 O2 Cd1 91.9(6) . .
C5 O3 Cd2 87.7(6) . .
C5 O4 Cd2 95.1(7) . .
C10 O5 C9 118.9(7) . .
C12 O6 Cd3 90.8(6) . .
C12 O7 Cd3 93.4(6) . .
C17 O8 Cd2 92.5(7) . 2_675
C17 O9 Cd2 89.9(6) . 2_675
C21 O10 Cd3 97.2(6) . 1_666
C21 O11 Cd3 87.5(5) . 1_666
C26 O12 C25 122.9(12) . .
C28 O13 Cd1 96.8(12) . .
C28 O14 Cd1 88.6(11) . .
Cd1 O15 H1W 105.4 . .
Cd1 O15 H2W 128.8 . .
H1W O15 H2W 116.4 . .
Cd2 O16 H3W 119.2 . .
Cd2 O16 H4W 134.1 . .
H3W O16 H4W 92.0 . .
Cd3 O17 H5W 123.9 . .
Cd3 O17 H6W 129.2 . .
H5W O17 H6W 104.2 . .
H7W O18 H8W 143.5 . .
H9W O19 H10W 95.6 . .
O2 C1 O1 122.0(9) . .
O2 C1 C2 120.9(9) . .
O1 C1 C2 117.1(9) . .
O2 C1 Cd1 61.2(5) . .
O1 C1 Cd1 60.9(5) . .
C2 C1 Cd1 173.5(6) . .
C3 C2 C8 120.2(8) . .
C3 C2 C1 120.6(9) . .
C8 C2 C1 119.1(8) . .
C2 C3 C4 120.4(9) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C3 C4 C6 119.2(8) . .
C3 C4 C5 119.6(9) . .
C6 C4 C5 121.1(8) . .
O4 C5 O3 122.3(10) . .
O4 C5 C4 118.1(10) . .
O3 C5 C4 119.6(9) . .
O4 C5 Cd2 57.8(5) . .
O3 C5 Cd2 65.1(5) . .
C4 C5 Cd2 169.3(6) . .
C7 C6 C4 121.5(8) . .
C7 C6 H6 119.2 . .
C4 C6 H6 119.2 . .
C6 C7 C8 118.9(9) . .
C6 C7 C9 122.4(8) . .
C8 C7 C9 118.5(8) . .
C2 C8 C7 119.7(9) . .
C2 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
O5 C9 C7 111.6(8) . .
O5 C9 H9A 109.3 . .
C7 C9 H9A 109.3 . .
O5 C9 H9B 109.3 . .
C7 C9 H9B 109.3 . .
H9A C9 H9B 108.0 . .
O5 C10 C16 123.9(10) . .
O5 C10 C11 114.4(8) . .
C16 C10 C11 121.6(9) . .
C10 C11 C13 117.6(9) . .
C10 C11 C12 124.4(8) . .
C13 C11 C12 117.9(9) . .
O6 C12 O7 121.5(9) . .
O6 C12 C11 118.4(9) . .
O7 C12 C11 120.1(10) . .
O6 C12 Cd3 62.7(5) . .
O7 C12 Cd3 59.6(5) . .
C11 C12 Cd3 168.0(7) . .
C14 C13 C11 121.6(11) . .
C14 C13 H13 119.2 . .
C11 C13 H13 119.2 . .
C15 C14 C13 118.3(11) . .
C15 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
C14 C15 C16 123.4(11) . .
C14 C15 H15 118.3 . .
C16 C15 H15 118.3 . .
C15 C16 C10 117.3(11) . .
C15 C16 H16 121.4 . .
C10 C16 H16 121.4 . .
O9 C17 O8 123.3(10) . .
O9 C17 C18 117.5(10) . .
O8 C17 C18 119.1(11) . .
O9 C17 Cd2 63.3(5) . 2_675
O8 C17 Cd2 60.6(5) . 2_675
C18 C17 Cd2 175.6(8) . 2_675
C24 C18 C19 119.6(9) . .
C24 C18 C17 119.8(9) . .
C19 C18 C17 120.6(10) . .
C18 C19 C20 120.5(9) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C22 C20 C19 119.3(9) . .
C22 C20 C21 119.9(8) . .
C19 C20 C21 120.8(8) . .
O10 C21 O11 121.5(9) . .
O10 C21 C20 118.6(9) . .
O11 C21 C20 119.8(8) . .
C20 C22 C23 121.7(11) . .
C20 C22 H22 119.1 . .
C23 C22 H22 119.1 . .
C22 C23 C24 117.7(13) . .
C22 C23 C25 117.4(14) . .
C24 C23 C25 124.8(14) . .
C18 C24 C23 121.1(11) . .
C18 C24 H24 119.5 . .
C23 C24 H24 119.5 . .
C23 C25 O12 108.9(14) . .
C23 C25 H25A 109.9 . .
O12 C25 H25A 109.9 . .
C23 C25 H25B 109.9 . .
O12 C25 H25B 109.9 . .
H25A C25 H25B 108.3 . .
O12 C26 C27 115.2(16) . .
O12 C26 C32 119.9(14) . .
C27 C26 C32 124.8(17) . .
C29 C27 C26 116.5(15) . .
C29 C27 C28 120.5(14) . .
C26 C27 C28 121.7(17) . .
O14 C28 O13 123.3(19) . .
O14 C28 C27 120.4(18) . .
O13 C28 C27 115.3(18) . .
C27 C29 C30 120.2(8) . .
C27 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 120.0 . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C30 C31 C32 120.0 . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C31 C32 C26 116.1(9) . .
C31 C32 H32 121.9 . .
C26 C32 H32 121.9 . .
N1 C33 C34 122.1(15) . .
N1 C33 H33 118.9 . .
C34 C33 H33 118.9 . .
C35 C34 C33 117.2(17) . .
C35 C34 H34 121.4 . .
C33 C34 H34 121.4 . .
C36 C35 C34 121(2) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 119.6(18) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
N1 C37 C36 120.1(16) . .
N1 C37 C38 117.0(12) . .
C36 C37 C38 122.9(15) . .
N2 C38 C39 120.4(14) . .
N2 C38 C37 116.9(12) . .
C39 C38 C37 122.8(14) . .
C40 C39 C38 116.9(15) . .
C40 C39 H39 121.6 . .
C38 C39 H39 121.6 . .
C39 C40 C41 123.6(15) . .
C39 C40 H40 118.2 . .
C41 C40 H40 118.2 . .
C40 C41 C42 116.6(15) . .
C40 C41 H41 121.7 . .
C42 C41 H41 121.7 . .
N2 C42 C41 123.5(13) . .
N2 C42 H42 118.3 . .
C41 C42 H42 118.3 . .
N3 C43 C44 123.3(13) . .
N3 C43 H43 118.4 . .
C44 C43 H43 118.4 . .
C45 C44 C43 117.9(16) . .
C45 C44 H44 121.0 . .
C43 C44 H44 121.0 . .
C44 C45 C46 121.0(17) . .
C44 C45 H45 119.5 . .
C46 C45 H45 119.5 . .
C45 C46 C47 119.7(16) . .
C45 C46 H46 120.1 . .
C47 C46 H46 120.1 . .
N3 C47 C46 118.6(12) . .
N3 C47 C48 116.9(11) . .
C46 C47 C48 124.5(13) . .
N4 C48 C49 122.1(13) . .
N4 C48 C47 117.7(10) . .
C49 C48 C47 120.2(14) . .
C50 C49 C48 119.4(17) . .
C50 C49 H49 120.3 . .
C48 C49 H49 120.3 . .
C51 C50 C49 120.4(17) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C50 C51 C52 118.0(15) . .
C50 C51 H51 121.0 . .
C52 C51 H51 121.0 . .
N4 C52 C51 122.6(15) . .
N4 C52 H52 118.7 . .
C51 C52 H52 118.7 . .
N5 C53 C54 124.5(14) . .
N5 C53 H53 117.7 . .
C54 C53 H53 117.7 . .
C55 C54 C53 115.1(17) . .
C55 C54 H54 122.4 . .
C53 C54 H54 122.4 . .
C54 C55 C56 122.4(16) . .
C54 C55 H55 118.8 . .
C56 C55 H55 118.8 . .
C55 C56 C57 119.5(16) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.3 . .
N5 C57 C58 118.9(12) . .
N5 C57 C56 117.8(15) . .
C58 C57 C56 123.2(14) . .
N6 C58 C59 121.5(17) . .
N6 C58 C57 117.8(13) . .
C59 C58 C57 120.5(16) . .
C58 C59 C60 118.6(16) . .
C58 C59 H59 120.7 . .
C60 C59 H59 120.7 . .
C59 C60 C61 121.5(15) . .
C59 C60 H60 119.3 . .
C61 C60 H60 119.3 . .
C62 C61 C60 115.5(16) . .
C62 C61 H61 122.2 . .
C60 C61 H61 122.2 . .
N6 C62 C61 123.1(14) . .
N6 C62 H62 118.4 . .
C61 C62 H62 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N2 2.345(9) .
Cd1 N1 2.346(10) .
Cd1 O15 2.355(6) .
Cd1 O13 2.366(10) .
Cd1 O1 2.380(6) .
Cd1 O2 2.388(7) .
Cd1 O14 2.544(10) .
Cd2 O16 2.301(6) .
Cd2 O4 2.324(7) .
Cd2 N4 2.332(8) .
Cd2 N3 2.345(9) .
Cd2 O8 2.402(7) 2_675
Cd2 O9 2.461(7) 2_675
Cd2 O3 2.483(6) .
Cd3 O17 2.244(7) .
Cd3 O10 2.311(6) 1_444
Cd3 N6 2.347(9) .
Cd3 N5 2.352(8) .
Cd3 O7 2.381(6) .
Cd3 O6 2.450(7) .
Cd3 O11 2.517(6) 1_444
N1 C33 1.323(15) .
N1 C37 1.351(14) .
N2 C38 1.337(15) .
N2 C42 1.338(14) .
N3 C43 1.330(13) .
N3 C47 1.358(13) .
N4 C48 1.322(15) .
N4 C52 1.347(13) .
N5 C57 1.326(14) .
N5 C53 1.331(15) .
N6 C58 1.326(17) .
N6 C62 1.340(16) .
O1 C1 1.255(11) .
O2 C1 1.233(11) .
O3 C5 1.253(12) .
O4 C5 1.252(11) .
O5 C10 1.385(10) .
O5 C9 1.433(10) .
O6 C12 1.229(12) .
O7 C12 1.253(11) .
O8 C17 1.246(12) .
O8 Cd2 2.402(7) 2_675
O9 C17 1.239(12) .
O9 Cd2 2.461(7) 2_675
O10 C21 1.249(10) .
O10 Cd3 2.312(6) 1_666
O11 C21 1.252(11) .
O11 Cd3 2.516(6) 1_666
O12 C26 1.395(19) .
O12 C25 1.507(18) .
O13 C28 1.205(18) .
O14 C28 1.182(19) .
O15 H1W 0.8501 .
O15 H2W 0.8502 .
O16 H3W 0.7080 .
O16 H4W 0.8501 .
O17 H5W 0.7134 .
O17 H6W 0.8499 .
O18 H7W 0.8500 .
O18 H8W 0.9651 .
O19 H9W 0.8501 .
O19 H10W 0.9967 .
C1 C2 1.514(12) .
C2 C3 1.377(12) .
C2 C8 1.392(12) .
C3 C4 1.389(11) .
C3 H3 0.9300 .
C4 C6 1.389(12) .
C4 C5 1.502(13) .
C6 C7 1.370(12) .
C6 H6 0.9300 .
C7 C8 1.410(12) .
C7 C9 1.522(12) .
C8 H8 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C16 1.386(13) .
C10 C11 1.388(12) .
C11 C13 1.397(12) .
C11 C12 1.494(12) .
C13 C14 1.364(14) .
C13 H13 0.9300 .
C14 C15 1.362(16) .
C14 H14 0.9300 .
C15 C16 1.370(15) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.513(13) .
C17 Cd2 2.755(10) 2_675
C18 C24 1.370(14) .
C18 C19 1.373(13) .
C19 C20 1.390(12) .
C19 H19 0.9300 .
C20 C22 1.357(13) .
C20 C21 1.501(12) .
C22 C23 1.392(17) .
C22 H22 0.9300 .
C23 C24 1.395(18) .
C23 C25 1.475(19) .
C24 H24 0.9300 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.3900 .
C26 C32 1.364(18) .
C27 C29 1.340(19) .
C27 C28 1.51(2) .
C29 C30 1.3900 .
C29 H29 0.9300 .
C30 C31 1.3900 .
C30 H30 0.9300 .
C31 C32 1.3900 .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.398(19) .
C33 H33 0.9300 .
C34 C35 1.38(2) .
C34 H34 0.9300 .
C35 C36 1.36(2) .
C35 H35 0.9300 .
C36 C37 1.384(19) .
C36 H36 0.9300 .
C37 C38 1.451(18) .
C38 C39 1.435(17) .
C39 C40 1.35(2) .
C39 H39 0.9300 .
C40 C41 1.35(2) .
C40 H40 0.9300 .
C41 C42 1.379(16) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.367(18) .
C43 H43 0.9300 .
C44 C45 1.34(2) .
C44 H44 0.9300 .
C45 C46 1.36(2) .
C45 H45 0.9300 .
C46 C47 1.404(18) .
C46 H46 0.9300 .
C47 C48 1.457(16) .
C48 C49 1.376(17) .
C49 C50 1.35(2) .
C49 H49 0.9300 .
C50 C51 1.34(2) .
C50 H50 0.9300 .
C51 C52 1.384(19) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.369(18) .
C53 H53 0.9300 .
C54 C55 1.35(2) .
C54 H54 0.9300 .
C55 C56 1.37(2) .
C55 H55 0.9300 .
C56 C57 1.406(18) .
C56 H56 0.9300 .
C57 C58 1.40(2) .
C58 C59 1.357(19) .
C59 C60 1.38(2) .
C59 H59 0.9300 .
C60 C61 1.39(2) .
C60 H60 0.9300 .
C61 C62 1.376(18) .
C61 H61 0.9300 .
C62 H62 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
Cd1 O2 C1 O1 4.7(10) .
Cd1 O2 C1 C2 -173.0(7) .
Cd1 O1 C1 O2 -4.8(10) .
Cd1 O1 C1 C2 173.0(7) .
O2 C1 C2 C3 179.9(8) .
O1 C1 C2 C3 2.1(12) .
O2 C1 C2 C8 -3.2(13) .
O1 C1 C2 C8 179.0(8) .
C8 C2 C3 C4 1.1(12) .
C1 C2 C3 C4 178.0(7) .
C2 C3 C4 C6 -2.1(13) .
C2 C3 C4 C5 -178.1(8) .
Cd2 O4 C5 O3 10.0(10) .
Cd2 O4 C5 C4 -168.6(7) .
Cd2 O3 C5 O4 -9.3(10) .
Cd2 O3 C5 C4 169.2(8) .
C3 C4 C5 O4 171.6(8) .
C6 C4 C5 O4 -4.3(14) .
C3 C4 C5 O3 -7.0(13) .
C6 C4 C5 O3 177.1(8) .
C3 C4 C5 Cd2 107(4) .
C6 C4 C5 Cd2 -69(4) .
C3 C4 C6 C7 2.6(14) .
C5 C4 C6 C7 178.6(8) .
C4 C6 C7 C8 -2.1(14) .
C4 C6 C7 C9 -178.0(9) .
C3 C2 C8 C7 -0.5(13) .
C1 C2 C8 C7 -177.5(8) .
C6 C7 C8 C2 1.0(13) .
C9 C7 C8 C2 177.1(8) .
C10 O5 C9 C7 -73.5(11) .
C6 C7 C9 O5 -23.4(14) .
C8 C7 C9 O5 160.7(8) .
C9 O5 C10 C16 -9.0(14) .
C9 O5 C10 C11 168.6(8) .
O5 C10 C11 C13 177.5(9) .
C16 C10 C11 C13 -4.8(15) .
O5 C10 C11 C12 1.8(14) .
C16 C10 C11 C12 179.5(10) .
Cd3 O6 C12 O7 10.5(10) .
Cd3 O6 C12 C11 -166.5(8) .
Cd3 O7 C12 O6 -10.9(11) .
Cd3 O7 C12 C11 166.2(7) .
C10 C11 C12 O6 -133.4(10) .
C13 C11 C12 O6 50.9(13) .
C10 C11 C12 O7 49.5(14) .
C13 C11 C12 O7 -126.2(10) .
C10 C11 C12 Cd3 135(3) .
C13 C11 C12 Cd3 -41(4) .
C10 C11 C13 C14 2.8(16) .
C12 C11 C13 C14 178.8(11) .
C11 C13 C14 C15 -0.7(19) .
C13 C14 C15 C16 0(2) .
C14 C15 C16 C10 -2.3(19) .
O5 C10 C16 C15 -178.0(10) .
C11 C10 C16 C15 4.5(16) .
Cd2 O9 C17 O8 -9.0(12) 2_675
Cd2 O9 C17 C18 175.2(9) 2_675
Cd2 O8 C17 O9 9.2(13) 2_675
Cd2 O8 C17 C18 -175.0(9) 2_675
O9 C17 C18 C24 175.5(11) .
O8 C17 C18 C24 -0.5(17) .
O9 C17 C18 C19 -5.5(16) .
O8 C17 C18 C19 178.5(10) .
C24 C18 C19 C20 -0.7(16) .
C17 C18 C19 C20 -179.7(9) .
C18 C19 C20 C22 0.4(16) .
C18 C19 C20 C21 -177.1(10) .
Cd3 O10 C21 O11 4.6(11) 1_666
Cd3 O10 C21 C20 -173.3(8) 1_666
Cd3 O11 C21 O10 -4.2(10) 1_666
Cd3 O11 C21 C20 173.7(8) 1_666
C22 C20 C21 O10 -13.8(15) .
C19 C20 C21 O10 163.6(10) .
C22 C20 C21 O11 168.2(10) .
C19 C20 C21 O11 -14.3(15) .
C19 C20 C22 C23 2(2) .
C21 C20 C22 C23 179.1(13) .
C20 C22 C23 C24 -3(2) .
C20 C22 C23 C25 173.6(14) .
C19 C18 C24 C23 -1(2) .
C17 C18 C24 C23 178.0(13) .
C22 C23 C24 C18 3(2) .
C25 C23 C24 C18 -173.7(15) .
C22 C23 C25 O12 160.6(14) .
C24 C23 C25 O12 -23(2) .
C26 O12 C25 C23 -86.1(18) .
C25 O12 C26 C27 -175.6(14) .
C25 O12 C26 C32 1(2) .
O12 C26 C27 C29 -171.4(15) .
C32 C26 C27 C29 12(3) .
O12 C26 C27 C28 -5(3) .
C32 C26 C27 C28 179.2(17) .
Cd1 O14 C28 O13 9(2) .
Cd1 O14 C28 C27 176.3(17) .
Cd1 O13 C28 O14 -10(2) .
Cd1 O13 C28 C27 -177.6(14) .
C29 C27 C28 O14 88(3) .
C26 C27 C28 O14 -78(3) .
C29 C27 C28 O13 -103(2) .
C26 C27 C28 O13 91(2) .
C26 C27 C29 C30 -18(2) .
C28 C27 C29 C30 174.7(14) .
C27 C29 C30 C31 12.8(16) .
C29 C30 C31 C32 0.0 .
C30 C31 C32 C26 -5.9(15) .
O12 C26 C32 C31 -176.2(12) .
C27 C26 C32 C31 0(2) .
C37 N1 C33 C34 2(2) .
Cd1 N1 C33 C34 -166.5(12) .
N1 C33 C34 C35 -3(3) .
C33 C34 C35 C36 1(3) .
C34 C35 C36 C37 2(3) .
C33 N1 C37 C36 1.8(19) .
Cd1 N1 C37 C36 170.3(11) .
C33 N1 C37 C38 -177.9(11) .
Cd1 N1 C37 C38 -9.3(13) .
C35 C36 C37 N1 -4(2) .
C35 C36 C37 C38 176.0(16) .
C42 N2 C38 C39 -2.8(17) .
Cd1 N2 C38 C39 171.2(9) .
C42 N2 C38 C37 177.5(10) .
Cd1 N2 C38 C37 -8.6(13) .
N1 C37 C38 N2 11.9(15) .
C36 C37 C38 N2 -167.7(12) .
N1 C37 C38 C39 -167.8(11) .
C36 C37 C38 C39 13(2) .
N2 C38 C39 C40 1(2) .
C37 C38 C39 C40 -179.4(13) .
C38 C39 C40 C41 2(2) .
C39 C40 C41 C42 -3(2) .
C38 N2 C42 C41 1.9(18) .
Cd1 N2 C42 C41 -171.8(9) .
C40 C41 C42 N2 1(2) .
C47 N3 C43 C44 -1(2) .
Cd2 N3 C43 C44 175.5(15) .
N3 C43 C44 C45 -1(3) .
C43 C44 C45 C46 3(4) .
C44 C45 C46 C47 -3(4) .
C43 N3 C47 C46 1(2) .
Cd2 N3 C47 C46 -175.9(14) .
C43 N3 C47 C48 -177.9(12) .
Cd2 N3 C47 C48 5.3(15) .
C45 C46 C47 N3 1(3) .
C45 C46 C47 C48 179.9(19) .
C52 N4 C48 C49 -2(2) .
Cd2 N4 C48 C49 173.9(13) .
C52 N4 C48 C47 178.5(11) .
Cd2 N4 C48 C47 -5.8(16) .
N3 C47 C48 N4 0.3(19) .
C46 C47 C48 N4 -178.5(16) .
N3 C47 C48 C49 -179.5(14) .
C46 C47 C48 C49 2(3) .
N4 C48 C49 C50 3(3) .
C47 C48 C49 C50 -177.5(19) .
C48 C49 C50 C51 -3(4) .
C49 C50 C51 C52 2(4) .
C48 N4 C52 C51 1(2) .
Cd2 N4 C52 C51 -174.6(12) .
C50 C51 C52 N4 -1(3) .
C57 N5 C53 C54 -1(3) .
Cd3 N5 C53 C54 179.5(15) .
N5 C53 C54 C55 -1(3) .
C53 C54 C55 C56 3(4) .
C54 C55 C56 C57 -2(4) .
C53 N5 C57 C58 179.1(16) .
Cd3 N5 C57 C58 -1.6(18) .
C53 N5 C57 C56 3(2) .
Cd3 N5 C57 C56 -178.1(11) .
C55 C56 C57 N5 -1(3) .
C55 C56 C57 C58 -178(2) .
C62 N6 C58 C59 3(3) .
Cd3 N6 C58 C59 -165.4(17) .
C62 N6 C58 C57 178.3(16) .
Cd3 N6 C58 C57 10(2) .
N5 C57 C58 N6 -6(3) .
C56 C57 C58 N6 170.7(16) .
N5 C57 C58 C59 169.8(17) .
C56 C57 C58 C59 -14(3) .
N6 C58 C59 C60 -3(4) .
C57 C58 C59 C60 -179(2) .
C58 C59 C60 C61 1(4) .
C59 C60 C61 C62 1(3) .
C58 N6 C62 C61 0(3) .
Cd3 N6 C62 C61 167.4(14) .
C60 C61 C62 N6 -2(3) .
