#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:12:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180470 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/39/7213943.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_7213943
loop_
_publ_author_name
'Guo, Huadong'
'Guo, Xianmin'
'Zou, Hengye'
'Qi, Yanjuan'
'Chen, Ruizhan'
_publ_section_title
;
 Syntheses, structures and luminescent properties of seven metal--organic
 frameworks constructed with a rigid bis(imidazole) ligand and versatile
 carboxylate acids
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2176
_journal_paper_doi               10.1039/c3ce42339e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C37 H42 Cd2 N4 O10'
_chemical_formula_sum            'C37 H42 Cd2 N4 O10'
_chemical_formula_weight         927.55
_chemical_melting_point          ?
_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                97.373(5)
_cell_angle_beta                 93.976(5)
_cell_angle_gamma                114.192(5)
_cell_formula_units_Z            2
_cell_length_a                   11.774(5)
_cell_length_b                   11.812(5)
_cell_length_c                   14.993(5)
_cell_measurement_reflns_used    7295
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.61
_cell_volume                     1869.1(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10470
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.200
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         7295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0380
_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)+(0.0617P)²+1.0922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                5787
_reflns_number_total             7295
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42339e.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7213943
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
C1 C 0.1575(5) -0.0125(5) 0.6419(4) 0.0374(12) Uani 1 1 d .
C2 C 0.0145(11) -0.0493(12) 0.6309(9) 0.046(3) Uiso 0.50 1 d P
C2' C 0.0327(8) -0.0258(8) 0.6787(6) 0.0201(18) Uiso 0.50 1 d P
C3' C -0.0681(10) -0.1681(10) 0.6454(7) 0.0362(17) Uiso 0.50 1 d P
C3 C -0.0484(10) -0.1317(10) 0.6981(7) 0.0362(17) Uiso 0.50 1 d P
C4 C -0.1941(5) -0.1776(7) 0.6802(6) 0.072(2) Uani 1 1 d .
C5' C -0.2427(7) -0.0974(8) 0.6325(6) 0.0137(16) Uiso 0.50 1 d P
C5 C -0.2294(10) -0.0655(11) 0.6741(8) 0.039(3) Uiso 0.50 1 d P
C6' C -0.1476(10) 0.0436(10) 0.6659(8) 0.038(2) Uiso 0.50 1 d P
C6 C -0.1595(10) 0.0183(10) 0.6102(8) 0.040(2) Uiso 0.50 1 d P
C7 C -0.0169(5) 0.0608(6) 0.6327(6) 0.068(2) Uani 1 1 d .
C8 C -0.3729(4) -0.1143(5) 0.6540(3) 0.0336(11) Uani 1 1 d .
C9 C -0.4491(5) 0.0612(5) 0.8198(3) 0.0301(11) Uani 1 1 d .
C10 C -0.4818(5) 0.0036(5) 0.9048(3) 0.0373(12) Uani 1 1 d .
H10 H -0.5160 -0.0878 0.8850 0.045 Uiso 1 1 calc R
C11 C -0.5872(5) 0.0289(6) 0.9431(3) 0.0388(13) Uani 1 1 d .
H11A H -0.6587 -0.0007 0.8961 0.047 Uiso 1 1 calc R
H11B H -0.5591 0.1189 0.9615 0.047 Uiso 1 1 calc R
C12 C -0.6278(5) -0.0366(6) 1.0242(4) 0.0487(15) Uani 1 1 d .
H12A H -0.6891 -0.0119 1.0502 0.058 Uiso 1 1 calc R
H12B H -0.6675 -0.1271 1.0039 0.058 Uiso 1 1 calc R
C13 C -0.2092(4) 0.2974(4) 0.5558(3) 0.0253(10) Uani 1 1 d .
C14 C -0.1101(4) 0.3844(4) 0.5057(3) 0.0309(11) Uani 1 1 d .
H14 H -0.1302 0.3464 0.4413 0.037 Uiso 1 1 calc R
C15 C -0.1167(5) 0.5110(5) 0.5140(5) 0.0492(16) Uani 1 1 d .
H15A H -0.1010 0.5489 0.5776 0.059 Uiso 1 1 calc R
H15B H -0.2003 0.4986 0.4900 0.059 Uiso 1 1 calc R
C16 C -0.0199(5) 0.6002(5) 0.4624(5) 0.0504(16) Uani 1 1 d .
H16A H -0.0408 0.5666 0.3980 0.060 Uiso 1 1 calc R
H16B H -0.0227 0.6817 0.4719 0.060 Uiso 1 1 calc R
C17 C 0.1879(5) -0.2748(5) 0.7618(3) 0.0320(11) Uani 1 1 d .
H17 H 0.1613 -0.2105 0.7691 0.038 Uiso 1 1 calc R
C18 C 0.2882(5) -0.3839(5) 0.7226(3) 0.0354(12) Uani 1 1 d .
H18 H 0.3460 -0.4089 0.6974 0.043 Uiso 1 1 calc R
C19 C 0.1993(5) -0.4530(5) 0.7707(4) 0.0371(12) Uani 1 1 d .
H19 H 0.1841 -0.5325 0.7837 0.044 Uiso 1 1 calc R
C20 C 0.0327(4) -0.4139(5) 0.8475(3) 0.0282(10) Uani 1 1 d .
C21 C -0.0542(5) -0.5388(5) 0.8365(3) 0.0310(11) Uani 1 1 d .
H21 H -0.0457 -0.6001 0.7955 0.037 Uiso 1 1 calc R
C22 C -0.1527(4) -0.5715(4) 0.8867(3) 0.0316(11) Uani 1 1 d .
H22 H -0.2089 -0.6556 0.8817 0.038 Uiso 1 1 calc R
C23 C -0.1682(4) -0.4795(4) 0.9443(3) 0.0281(10) Uani 1 1 d .
C24 C -0.0814(4) -0.3521(4) 0.9536(3) 0.0297(10) Uani 1 1 d .
C25 C 0.0200(4) -0.3196(5) 0.9064(3) 0.0314(11) Uani 1 1 d .
H25 H 0.0792 -0.2364 0.9136 0.038 Uiso 1 1 calc R
C26 C -0.8810(4) 0.2679(4) 0.9816(3) 0.0306(11) Uani 1 1 d .
C27 C -0.9853(5) 0.1901(5) 0.9029(4) 0.0499(16) Uani 1 1 d .
H27A H -0.9579 0.1383 0.8636 0.075 Uiso 1 1 calc R
H27B H -1.0042 0.2456 0.8694 0.075 Uiso 1 1 calc R
H27C H -1.0592 0.1376 0.9264 0.075 Uiso 1 1 calc R
C28 C -0.8426(6) 0.1820(5) 1.0325(4) 0.0516(15) Uani 1 1 d .
H28A H -0.8195 0.1292 0.9906 0.077 Uiso 1 1 calc R
H28B H -0.9118 0.1305 1.0608 0.077 Uiso 1 1 calc R
H28C H -0.7723 0.2326 1.0782 0.077 Uiso 1 1 calc R
C29 C -0.7655(4) 0.3661(4) 0.9499(3) 0.0289(10) Uani 1 1 d .
C30 C -0.7367(4) 0.4868(4) 0.9963(3) 0.0272(10) Uani 1 1 d .
C31 C -0.6325(4) 0.5890(5) 0.9798(3) 0.0314(11) Uani 1 1 d .
H31 H -0.6131 0.6699 1.0099 0.038 Uiso 1 1 calc R
C32 C -0.5576(5) 0.5691(5) 0.9179(3) 0.0327(11) Uani 1 1 d .
H32 H -0.4858 0.6366 0.9083 0.039 Uiso 1 1 calc R
C33 C -0.5885(4) 0.4505(5) 0.8708(3) 0.0300(11) Uani 1 1 d .
C34 C -0.6932(4) 0.3472(4) 0.8859(3) 0.0296(10) Uani 1 1 d .
H34 H -0.7140 0.2671 0.8537 0.036 Uiso 1 1 calc R
C35 C -0.4265(5) 0.5212(5) 0.7628(4) 0.0420(13) Uani 1 1 d .
H35 H -0.4102 0.6059 0.7675 0.050 Uiso 1 1 calc R
C36 C -0.3738(5) 0.4591(5) 0.7120(4) 0.0447(14) Uani 1 1 d .
H36 H -0.3137 0.4957 0.6747 0.054 Uiso 1 1 calc R
C37 C -0.5022(5) 0.3224(4) 0.7783(3) 0.0322(11) Uani 1 1 d .
H37 H -0.5498 0.2466 0.7968 0.039 Uiso 1 1 calc R
N1 N 0.2812(4) -0.2721(4) 0.7162(3) 0.0279(9) Uani 1 1 d .
N2 N 0.1363(4) -0.3812(4) 0.7964(3) 0.0284(9) Uani 1 1 d .
N3 N -0.4195(4) 0.3349(4) 0.7217(3) 0.0328(9) Uani 1 1 d .
N4 N -0.5109(4) 0.4322(4) 0.8071(3) 0.0300(9) Uani 1 1 d .
O1 O 0.1846(3) -0.1047(3) 0.6381(3) 0.0408(9) Uani 1 1 d .
O2 O 0.2326(3) 0.0962(4) 0.6337(3) 0.0562(12) Uani 1 1 d .
O3 O -0.4374(4) -0.1947(4) 0.6941(3) 0.0626(13) Uani 1 1 d .
O4 O -0.4177(3) -0.0478(3) 0.6127(2) 0.0263(7) Uani 1 1 d .
O5 O -0.5390(3) 0.0419(3) 0.7604(2) 0.0343(8) Uani 1 1 d .
O6 O -0.3366(3) 0.1236(3) 0.8090(2) 0.0385(9) Uani 1 1 d .
O7 O -0.1863(3) 0.3031(3) 0.6392(2) 0.0378(9) Uani 1 1 d .
O8 O -0.3160(3) 0.2225(3) 0.5140(2) 0.0341(8) Uani 1 1 d .
OW1 O -0.5766(3) 0.0734(3) 0.5735(2) 0.0256(7) Uani 1 1 d .
OW2 O 0.2850(9) 0.3428(7) 0.6152(8) 0.196(5) Uani 1 1 d .
Cd1 Cd -0.38054(3) 0.16845(3) 0.66353(2) 0.02234(10) Uani 1 1 d .
Cd2 Cd 0.37257(3) -0.12248(3) 0.63391(2) 0.02229(10) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 C1 O2 124.4(5) . .
O1 C1 C2 113.7(6) . .
O2 C1 C2 119.9(6) . .
O1 C1 C2' 117.7(5) . .
O2 C1 C2' 116.7(5) . .
C2 C1 C2' 26.7(5) . .
C2' C2 C3' 92.3(15) . .
C2' C2 C7 83.2(14) . .
C3' C2 C7 124.5(10) . .
C2' C2 C3 60.2(13) . .
C3' C2 C3 32.4(6) . .
C7 C2 C3 112.4(10) . .
C2' C2 C1 77.6(13) . .
C3' C2 C1 119.5(10) . .
C7 C2 C1 113.3(8) . .
C3 C2 C1 111.2(9) . .
C2 C2' C3 91.4(15) . .
C2 C2' C1 75.7(13) . .
C3 C2' C1 122.8(8) . .
C2 C2' C7 69.8(13) . .
C3 C2' C7 119.2(8) . .
C1 C2' C7 108.0(6) . .
C2 C2' C3' 60.9(13) . .
C3 C2' C3' 30.7(6) . .
C1 C2' C3' 107.5(7) . .
C7 C2' C3' 107.3(7) . .
C3 C3' C2 81.3(13) . .
C3 C3' C4 74.4(11) . .
C2 C3' C4 116.2(9) . .
C3 C3' C2' 54.8(11) . .
C2 C3' C2' 26.7(5) . .
C4 C3' C2' 106.4(8) . .
C3' C3 C2' 94.6(13) . .
C3' C3 C2 66.3(12) . .
C2' C3 C2 28.5(5) . .
C3' C3 C4 75.4(12) . .
C2' C3 C4 123.9(9) . .
C2 C3 C4 110.4(8) . .
C5' C4 C5 24.8(4) . .
C5' C4 C3 117.3(6) . .
C5 C4 C3 111.2(7) . .
C5' C4 C3' 109.4(6) . .
C5 C4 C3' 117.4(7) . .
C3 C4 C3' 30.2(5) . .
C5 C5' C6 84.5(14) . .
C5 C5' C4 80.7(13) . .
C6 C5' C4 121.2(7) . .
C5 C5' C8 78.6(13) . .
C6 C5' C8 119.6(7) . .
C4 C5' C8 112.5(6) . .
C5 C5' C6' 52.8(13) . .
C6 C5' C6' 31.9(5) . .
C4 C5' C6' 107.2(7) . .
C8 C5' C6' 108.9(7) . .
C5' C5 C6' 103.1(16) . .
C5' C5 C6 69.6(13) . .
C6' C5 C6 33.6(6) . .
C5' C5 C8 76.6(13) . .
C6' C5 C8 126.2(10) . .
C6 C5 C8 113.4(9) . .
C5' C5 C4 74.5(13) . .
C6' C5 C4 122.0(10) . .
C6 C5 C4 113.4(9) . .
C8 C5 C4 109.9(8) . .
C6 C6' C5 88.0(14) . .
C6 C6' C5' 63.9(11) . .
C5 C6' C5' 24.2(6) . .
C6 C6' C7 71.2(11) . .
C5 C6' C7 120.8(10) . .
C5' C6' C7 107.4(8) . .
C6' C6 C5' 84.2(12) . .
C6' C6 C5 58.4(11) . .
C5' C6 C5 25.9(5) . .
C6' C6 C7 78.1(12) . .
C5' C6 C7 119.0(8) . .
C5 C6 C7 110.7(9) . .
C2 C7 C6 111.2(8) . .
C2 C7 C2' 27.0(5) . .
C6 C7 C2' 119.3(6) . .
C2 C7 C6' 116.0(7) . .
C6 C7 C6' 30.8(5) . .
C2' C7 C6' 108.8(7) . .
O3 C8 O4 121.6(4) . .
O3 C8 C5' 123.8(5) . .
O4 C8 C5' 113.8(5) . .
O3 C8 C5 118.1(6) . .
O4 C8 C5 118.2(6) . .
C5' C8 C5 24.8(4) . .
O6 C9 O5 121.7(4) . .
O6 C9 C10 121.2(4) . .
O5 C9 C10 117.2(4) . .
C12 C10 C9 115.0(4) 2_457 .
C12 C10 C11 112.2(4) 2_457 .
C9 C10 C11 111.1(4) . .
C12 C10 H10 105.9 2_457 .
C9 C10 H10 105.9 . .
C11 C10 H10 105.9 . .
C10 C11 C12 111.7(5) . .
C10 C11 H11A 109.3 . .
C12 C11 H11A 109.3 . .
C10 C11 H11B 109.3 . .
C12 C11 H11B 109.3 . .
H11A C11 H11B 107.9 . .
C10 C12 C11 111.5(5) 2_457 .
C10 C12 H12A 109.3 2_457 .
C11 C12 H12A 109.3 . .
C10 C12 H12B 109.3 2_457 .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
O7 C13 O8 119.8(4) . .
O7 C13 C14 119.8(4) . .
O8 C13 C14 120.3(4) . .
O7 C13 Cd1 55.0(2) . .
O8 C13 Cd1 65.0(2) . .
C14 C13 Cd1 172.3(3) . .
C16 C14 C15 111.2(4) 2_566 .
C16 C14 C13 112.7(4) 2_566 .
C15 C14 C13 109.8(4) . .
C16 C14 H14 107.7 2_566 .
C15 C14 H14 107.7 . .
C13 C14 H14 107.7 . .
C14 C15 C16 111.2(4) . .
C14 C15 H15A 109.4 . .
C16 C15 H15A 109.4 . .
C14 C15 H15B 109.4 . .
C16 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C14 C16 C15 110.8(5) 2_566 .
C14 C16 H16A 109.5 2_566 .
C15 C16 H16A 109.5 . .
C14 C16 H16B 109.5 2_566 .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
N1 C17 N2 112.1(4) . .
N1 C17 H17 124.0 . .
N2 C17 H17 124.0 . .
C19 C18 N1 110.7(4) . .
C19 C18 H18 124.7 . .
N1 C18 H18 124.7 . .
C18 C19 N2 105.7(4) . .
C18 C19 H19 127.1 . .
N2 C19 H19 127.1 . .
C21 C20 C25 121.3(4) . .
C21 C20 N2 119.3(4) . .
C25 C20 N2 119.4(4) . .
C22 C21 C20 119.7(4) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C23 119.9(4) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 120.2(4) . .
C22 C23 C30 131.5(4) . 2_457
C24 C23 C30 108.3(4) . 2_457
C25 C24 C23 120.0(4) . .
C25 C24 C26 129.0(4) . 2_457
C23 C24 C26 111.0(4) . 2_457
C24 C25 C20 118.7(4) . .
C24 C25 H25 120.6 . .
C20 C25 H25 120.6 . .
C24 C26 C27 112.1(4) 2_457 .
C24 C26 C28 110.5(4) 2_457 .
C27 C26 C28 110.7(5) . .
C24 C26 C29 101.0(4) 2_457 .
C27 C26 C29 112.2(4) . .
C28 C26 C29 110.1(4) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C34 C29 C30 120.8(4) . .
C34 C29 C26 128.5(4) . .
C30 C29 C26 110.7(4) . .
C31 C30 C29 119.8(4) . .
C31 C30 C23 131.3(4) . 2_457
C29 C30 C23 108.9(4) . 2_457
C32 C31 C30 119.3(5) . .
C32 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
C33 C32 C31 120.5(4) . .
C33 C32 H32 119.7 . .
C31 C32 H32 119.7 . .
C32 C33 C34 121.0(4) . .
C32 C33 N4 119.7(4) . .
C34 C33 N4 119.4(4) . .
C29 C34 C33 118.6(4) . .
C29 C34 H34 120.7 . .
C33 C34 H34 120.7 . .
C36 C35 N4 105.6(5) . .
C36 C35 H35 127.2 . .
N4 C35 H35 127.2 . .
C35 C36 N3 111.7(4) . .
C35 C36 H36 124.2 . .
N3 C36 H36 124.2 . .
N3 C37 N4 112.7(4) . .
N3 C37 H37 123.7 . .
N4 C37 H37 123.7 . .
C17 N1 C18 104.6(4) . .
C17 N1 Cd2 122.2(3) . .
C18 N1 Cd2 132.5(3) . .
C17 N2 C19 107.0(4) . .
C17 N2 C20 125.9(4) . .
C19 N2 C20 127.1(4) . .
C37 N3 C36 104.5(4) . .
C37 N3 Cd1 121.0(3) . .
C36 N3 Cd1 134.4(3) . .
C37 N4 C35 105.6(4) . .
C37 N4 C33 126.3(4) . .
C35 N4 C33 128.2(4) . .
C1 O1 Cd2 132.5(3) . .
C8 O4 Cd2 105.8(3) . 1_455
C8 O4 Cd1 126.9(3) . .
Cd2 O4 Cd1 92.54(10) 1_455 .
C9 O5 Cd2 127.5(3) . 1_455
C9 O5 Cd1 88.9(3) . .
Cd2 O5 Cd1 88.32(11) 1_455 .
C9 O6 Cd1 96.6(3) . .
C13 O7 Cd1 98.4(3) . .
C13 O8 Cd2 130.0(3) . 2_556
C13 O8 Cd1 87.7(2) . .
Cd2 O8 Cd1 136.07(14) 2_556 .
Cd1 OW1 Cd2 91.08(10) . 1_455
O7 Cd1 N3 90.21(14) . .
O7 Cd1 OW1 133.13(11) . .
N3 Cd1 OW1 91.22(13) . .
O7 Cd1 O6 101.70(12) . .
N3 Cd1 O6 93.66(14) . .
OW1 Cd1 O6 124.92(11) . .
O7 Cd1 O4 110.91(12) . .
N3 Cd1 O4 158.86(13) . .
OW1 Cd1 O4 73.83(11) . .
O6 Cd1 O4 83.32(12) . .
O7 Cd1 O8 53.94(11) . .
N3 Cd1 O8 101.83(13) . .
OW1 Cd1 O8 80.03(10) . .
O6 Cd1 O8 150.56(12) . .
O4 Cd1 O8 90.43(11) . .
O7 Cd1 O5 153.98(11) . .
N3 Cd1 O5 86.37(13) . .
OW1 Cd1 O5 72.79(11) . .
O6 Cd1 O5 52.91(11) . .
O4 Cd1 O5 75.09(11) . .
O8 Cd1 O5 151.80(10) . .
O7 Cd1 C13 26.67(12) . .
N3 Cd1 C13 95.61(14) . .
OW1 Cd1 C13 106.77(12) . .
O6 Cd1 C13 127.15(13) . .
O4 Cd1 C13 102.90(12) . .
O8 Cd1 C13 27.30(11) . .
O5 Cd1 C13 177.99(12) . .
O7 Cd1 Cd2 152.61(9) . 1_455
N3 Cd1 Cd2 116.33(10) . 1_455
OW1 Cd1 Cd2 45.79(8) . 1_455
O6 Cd1 Cd2 84.12(8) . 1_455
O4 Cd1 Cd2 42.61(7) . 1_455
O8 Cd1 Cd2 110.29(7) . 1_455
O5 Cd1 Cd2 43.64(7) . 1_455
C13 Cd1 Cd2 134.69(9) . 1_455
N1 Cd2 O8 105.44(13) . 2_556
N1 Cd2 O1 81.62(13) . .
O8 Cd2 O1 92.10(13) 2_556 .
N1 Cd2 O4 123.77(12) . 1_655
O8 Cd2 O4 89.78(11) 2_556 1_655
O1 Cd2 O4 152.91(12) . 1_655
N1 Cd2 O5 94.63(13) . 1_655
O8 Cd2 O5 159.83(12) 2_556 1_655
O1 Cd2 O5 88.80(13) . 1_655
O4 Cd2 O5 80.51(12) 1_655 1_655
N1 Cd2 OW1 158.29(12) . 1_655
O8 Cd2 OW1 86.22(12) 2_556 1_655
O1 Cd2 OW1 79.66(11) . 1_655
O4 Cd2 OW1 73.50(10) 1_655 1_655
O5 Cd2 OW1 74.12(11) 1_655 1_655
N1 Cd2 Cd1 138.15(10) . 1_655
O8 Cd2 Cd1 113.52(8) 2_556 1_655
O1 Cd2 Cd1 110.76(9) . 1_655
O4 Cd2 Cd1 44.86(8) 1_655 1_655
O5 Cd2 Cd1 48.04(8) 1_655 1_655
OW1 Cd2 Cd1 43.13(7) 1_655 1_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.250(6) .
C1 O2 1.253(6) .
C1 C2 1.548(13) .
C1 C2' 1.560(10) .
C2 C2' 0.719(12) .
C2 C3' 1.397(16) .
C2 C7 1.488(14) .
C2 C3 1.508(16) .
C2' C3 1.309(13) .
C2' C7 1.575(11) .
C2' C3' 1.597(14) .
C3' C3 0.817(12) .
C3' C4 1.572(12) .
C3 C4 1.564(12) .
C4 C5' 1.516(10) .
C4 C5 1.553(13) .
C5' C5 0.659(11) .
C5' C6 1.416(13) .
C5' C8 1.526(9) .
C5' C6' 1.568(14) .
C5 C6' 1.282(15) .
C5 C6 1.504(16) .
C5 C8 1.538(12) .
C6' C6 0.832(13) .
C6' C7 1.592(12) .
C6 C7 1.540(12) .
C8 O3 1.208(6) .
C8 O4 1.303(6) .
C9 O6 1.258(6) .
C9 O5 1.260(6) .
C9 C10 1.519(6) .
C10 C12 1.497(7) 2_457
C10 C11 1.523(7) .
C10 H10 0.9800 .
C11 C12 1.524(7) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C10 1.497(7) 2_457
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 O7 1.248(5) .
C13 O8 1.262(5) .
C13 C14 1.522(6) .
C13 Cd1 2.750(4) .
C14 C16 1.501(7) 2_566
C14 C15 1.519(7) .
C14 H14 0.9800 .
C15 C16 1.534(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C14 1.501(7) 2_566
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N1 1.325(6) .
C17 N2 1.342(6) .
C17 H17 0.9300 .
C18 C19 1.356(7) .
C18 N1 1.372(6) .
C18 H18 0.9300 .
C19 N2 1.374(6) .
C19 H19 0.9300 .
C20 C21 1.389(7) .
C20 C25 1.394(7) .
C20 N2 1.430(5) .
C21 C22 1.374(6) .
C21 H21 0.9300 .
C22 C23 1.380(7) .
C22 H22 0.9300 .
C23 C24 1.412(6) .
C23 C30 1.460(6) 2_457
C24 C25 1.373(6) .
C24 C26 1.517(6) 2_457
C25 H25 0.9300 .
C26 C24 1.517(6) 2_457
C26 C27 1.530(7) .
C26 C28 1.531(7) .
C26 C29 1.536(6) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C34 1.382(6) .
C29 C30 1.396(6) .
C30 C31 1.389(6) .
C30 C23 1.460(6) 2_457
C31 C32 1.385(7) .
C31 H31 0.9300 .
C32 C33 1.374(7) .
C32 H32 0.9300 .
C33 C34 1.392(7) .
C33 N4 1.422(6) .
C34 H34 0.9300 .
C35 C36 1.341(7) .
C35 N4 1.397(6) .
C35 H35 0.9300 .
C36 N3 1.371(7) .
C36 H36 0.9300 .
C37 N3 1.312(6) .
C37 N4 1.360(6) .
C37 H37 0.9300 .
N1 Cd2 2.234(4) .
N3 Cd1 2.278(4) .
O1 Cd2 2.311(3) .
O4 Cd2 2.318(3) 1_455
O4 Cd1 2.415(3) .
O5 Cd2 2.362(3) 1_455
O5 Cd1 2.544(3) .
O6 Cd1 2.381(3) .
O7 Cd1 2.276(3) .
O8 Cd2 2.288(3) 2_556
O8 Cd1 2.494(3) .
OW1 Cd1 2.339(3) .
OW1 Cd2 2.452(3) 1_455
Cd1 Cd2 3.4204(12) 1_455
Cd2 O8 2.288(3) 2_556
Cd2 O4 2.318(3) 1_655
Cd2 O5 2.362(3) 1_655
Cd2 OW1 2.452(3) 1_655
Cd2 Cd1 3.4204(12) 1_655
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
O1 C1 C2 C2' 104.8(13) . .
O2 C1 C2 C2' -90.6(14) . .
O1 C1 C2 C3' 19.2(14) . .
O2 C1 C2 C3' -176.2(9) . .
C2' C1 C2 C3' -85.6(16) . .
O1 C1 C2 C7 -178.2(8) . .
O2 C1 C2 C7 -13.7(13) . .
C2' C1 C2 C7 76.9(14) . .
O1 C1 C2 C3 54.0(11) . .
O2 C1 C2 C3 -141.4(8) . .
C2' C1 C2 C3 -50.8(12) . .
C3' C2 C2' C3 -3.8(10) . .
C7 C2 C2' C3 120.7(8) . .
C1 C2 C2' C3 -123.6(7) . .
C3' C2 C2' C1 119.7(9) . .
C7 C2 C2' C1 -115.7(6) . .
C3 C2 C2' C1 123.6(7) . .
C3' C2 C2' C7 -124.5(10) . .
C3 C2 C2' C7 -120.7(8) . .
C1 C2 C2' C7 115.7(6) . .
C7 C2 C2' C3' 124.5(10) . .
C3 C2 C2' C3' 3.8(10) . .
C1 C2 C2' C3' -119.7(9) . .
O1 C1 C2' C2 -88.2(14) . .
O2 C1 C2' C2 104.0(14) . .
O1 C1 C2' C3 -5.9(12) . .
O2 C1 C2' C3 -173.8(9) . .
C2 C1 C2' C3 82.2(16) . .
O1 C1 C2' C7 -150.9(6) . .
O2 C1 C2' C7 41.2(9) . .
C2 C1 C2' C7 -62.8(13) . .
O1 C1 C2' C3' -35.5(9) . .
O2 C1 C2' C3' 156.7(7) . .
C2 C1 C2' C3' 52.7(13) . .
C2' C2 C3' C3 6.2(17) . .
C7 C2 C3' C3 -77.2(16) . .
C1 C2 C3' C3 83.3(15) . .
C2' C2 C3' C4 73.9(16) . .
C7 C2 C3' C4 -9.5(18) . .
C3 C2 C3' C4 67.7(12) . .
C1 C2 C3' C4 151.0(9) . .
C7 C2 C3' C2' -83.4(17) . .
C3 C2 C3' C2' -6.2(17) . .
C1 C2 C3' C2' 77.0(15) . .
C2 C2' C3' C3 -172(2) . .
C1 C2' C3' C3 125.7(13) . .
C7 C2' C3' C3 -118.4(13) . .
C3 C2' C3' C2 172(2) . .
C1 C2' C3' C2 -61.9(14) . .
C7 C2' C3' C2 54.1(14) . .
C2 C2' C3' C4 -116.0(16) . .
C3 C2' C3' C4 56.5(12) . .
C1 C2' C3' C4 -177.9(6) . .
C7 C2' C3' C4 -61.9(9) . .
C2 C3' C3 C2' -3.4(9) . .
C4 C3' C3 C2' -123.9(8) . .
C4 C3' C3 C2 -120.5(8) . .
C2' C3' C3 C2 3.4(9) . .
C2 C3' C3 C4 120.5(8) . .
C2' C3' C3 C4 123.9(8) . .
C2 C2' C3 C3' 6.6(18) . .
C1 C2' C3 C3' -67.2(15) . .
C7 C2' C3 C3' 74.1(15) . .
C1 C2' C3 C2 -73.8(14) . .
C7 C2' C3 C2 67.5(14) . .
C3' C2' C3 C2 -6.6(18) . .
C2 C2' C3 C4 -68.9(17) . .
C1 C2' C3 C4 -142.7(9) . .
C7 C2' C3 C4 -1.4(15) . .
C3' C2' C3 C4 -75.5(14) . .
C2' C2 C3 C3' -173(2) . .
C7 C2 C3 C3' 119.7(14) . .
C1 C2 C3 C3' -112.1(14) . .
C3' C2 C3 C2' 173(2) . .
C7 C2 C3 C2' -67.5(14) . .
C1 C2 C3 C2' 60.8(13) . .
C2' C2 C3 C4 124.3(15) . .
C3' C2 C3 C4 -62.9(12) . .
C7 C2 C3 C4 56.8(13) . .
C1 C2 C3 C4 -174.9(8) . .
C3' C3 C4 C5' -81.9(13) . .
C2' C3 C4 C5' 3.8(15) . .
C2 C3 C4 C5' -24.6(13) . .
C3' C3 C4 C5 -108.3(13) . .
C2' C3 C4 C5 -22.6(14) . .
C2 C3 C4 C5 -50.9(12) . .
C2' C3 C4 C3' 85.7(14) . .
C2 C3 C4 C3' 57.3(12) . .
C3 C3' C4 C5' 111.1(12) . .
C2 C3' C4 C5' 39.3(13) . .
C2' C3' C4 C5' 66.1(9) . .
C3 C3' C4 C5 85.4(14) . .
C2 C3' C4 C5 13.7(14) . .
C2' C3' C4 C5 40.4(11) . .
C2 C3' C4 C3 -71.8(13) . .
C2' C3' C4 C3 -45.0(10) . .
C3 C4 C5' C5 -81.6(15) . .
C3' C4 C5' C5 -113.5(14) . .
C5 C4 C5' C6 77.8(15) . .
C3 C4 C5' C6 -3.8(13) . .
C3' C4 C5' C6 -35.7(12) . .
C5 C4 C5' C8 -73.5(13) . .
C3 C4 C5' C8 -155.1(7) . .
C3' C4 C5' C8 173.0(7) . .
C5 C4 C5' C6' 46.2(13) . .
C3 C4 C5' C6' -35.4(11) . .
C3' C4 C5' C6' -67.3(9) . .
C6 C5' C5 C6' -3.0(11) . .
C4 C5' C5 C6' 120.0(10) . .
C8 C5' C5 C6' -124.7(11) . .
C4 C5' C5 C6 122.9(6) . .
C8 C5' C5 C6 -121.7(6) . .
C6' C5' C5 C6 3.0(11) . .
C6 C5' C5 C8 121.7(6) . .
C4 C5' C5 C8 -115.4(5) . .
C6' C5' C5 C8 124.7(11) . .
C6 C5' C5 C4 -122.9(6) . .
C8 C5' C5 C4 115.4(5) . .
C6' C5' C5 C4 -120.0(10) . .
C3 C4 C5 C5' 109.4(14) . .
C3' C4 C5 C5' 76.9(15) . .
C5' C4 C5 C6' -95.9(18) . .
C3 C4 C5 C6' 13.5(16) . .
C3' C4 C5 C6' -19.1(16) . .
C5' C4 C5 C6 -59.0(13) . .
C3 C4 C5 C6 50.4(12) . .
C3' C4 C5 C6 17.8(13) . .
C5' C4 C5 C8 69.1(13) . .
C3 C4 C5 C8 178.5(7) . .
C3' C4 C5 C8 146.0(8) . .
C5' C5 C6' C6 5.0(19) . .
C8 C5 C6' C6 -77.7(16) . .
C4 C5 C6' C6 84.7(16) . .
C6 C5 C6' C5' -5.0(19) . .
C8 C5 C6' C5' -82.8(17) . .
C4 C5 C6' C5' 79.7(17) . .
C5' C5 C6' C7 -61.6(18) . .
C6 C5 C6' C7 -66.6(13) . .
C8 C5 C6' C7 -144.4(10) . .
C4 C5 C6' C7 18.1(18) . .
C5 C5' C6' C6 -174(2) . .
C4 C5' C6' C6 122.1(13) . .
C8 C5' C6' C6 -115.9(12) . .
C6 C5' C6' C5 174(2) . .
C4 C5' C6' C5 -63.5(15) . .
C8 C5' C6' C5 58.5(15) . .
C5 C5' C6' C7 127.6(17) . .
C6 C5' C6' C7 -58.0(11) . .
C4 C5' C6' C7 64.1(9) . .
C8 C5' C6' C7 -173.9(6) . .
C5 C6' C6 C5' -2.3(9) . .
C7 C6' C6 C5' 121.3(7) . .
C5' C6' C6 C5 2.3(9) . .
C7 C6' C6 C5 123.6(8) . .
C5 C6' C6 C7 -123.6(8) . .
C5' C6' C6 C7 -121.3(7) . .
C5 C5' C6 C6' 4.5(17) . .
C4 C5' C6 C6' -71.2(14) . .
C8 C5' C6 C6' 78.1(13) . .
C4 C5' C6 C5 -75.7(14) . .
C8 C5' C6 C5 73.6(14) . .
C6' C5' C6 C5 -4.5(17) . .
C5 C5' C6 C7 77.4(16) . .
C4 C5' C6 C7 1.7(14) . .
C8 C5' C6 C7 151.0(8) . .
C6' C5' C6 C7 72.9(13) . .
C5' C5 C6 C6' -175(2) . .
C8 C5 C6 C6' 120.8(14) . .
C4 C5 C6 C6' -112.9(14) . .
C6' C5 C6 C5' 175(2) . .
C8 C5 C6 C5' -64.4(13) . .
C4 C5 C6 C5' 61.8(13) . .
C5' C5 C6 C7 -114.1(15) . .
C6' C5 C6 C7 60.6(12) . .
C8 C5 C6 C7 -178.6(8) . .
C4 C5 C6 C7 -52.3(12) . .
C2' C2 C7 C6 -113.4(14) . .
C3' C2 C7 C6 -25.3(16) . .
C3 C2 C7 C6 -59.7(13) . .
C1 C2 C7 C6 173.2(8) . .
C3' C2 C7 C2' 88.2(17) . .
C3 C2 C7 C2' 53.8(12) . .
C1 C2 C7 C2' -73.3(13) . .
C2' C2 C7 C6' -80.2(15) . .
C3' C2 C7 C6' 8.0(17) . .
C3 C2 C7 C6' -26.4(14) . .
C1 C2 C7 C6' -153.5(8) . .
C6' C6 C7 C2 105.7(13) . .
C5' C6 C7 C2 29.2(13) . .
C5 C6 C7 C2 56.3(12) . .
C6' C6 C7 C2' 77.2(14) . .
C5' C6 C7 C2' 0.7(14) . .
C5 C6 C7 C2' 27.8(13) . .
C5' C6 C7 C6' -76.4(13) . .
C5 C6 C7 C6' -49.4(11) . .
C3 C2' C7 C2 -79.9(15) . .
C1 C2' C7 C2 66.6(13) . .
C3' C2' C7 C2 -49.0(13) . .
C2 C2' C7 C6 79.0(16) . .
C3 C2' C7 C6 -0.9(14) . .
C1 C2' C7 C6 145.6(8) . .
C3' C2' C7 C6 30.0(11) . .
C2 C2' C7 C6' 110.7(14) . .
C3 C2' C7 C6' 30.9(12) . .
C1 C2' C7 C6' 177.3(6) . .
C3' C2' C7 C6' 61.8(9) . .
C6 C6' C7 C2 -88.0(14) . .
C5 C6' C7 C2 -12.2(15) . .
C5' C6' C7 C2 -34.4(12) . .
C5 C6' C7 C6 75.7(14) . .
C5' C6' C7 C6 53.6(11) . .
C6 C6' C7 C2' -116.1(12) . .
C5 C6' C7 C2' -40.4(14) . .
C5' C6' C7 C2' -62.6(10) . .
C5 C5' C8 O3 -84.5(14) . .
C6 C5' C8 O3 -161.4(8) . .
C4 C5' C8 O3 -9.6(10) . .
C6' C5' C8 O3 -128.3(7) . .
C5 C5' C8 O4 106.1(13) . .
C6 C5' C8 O4 29.2(10) . .
C4 C5' C8 O4 -179.0(6) . .
C6' C5' C8 O4 62.3(8) . .
C6 C5' C8 C5 -76.9(15) . .
C4 C5' C8 C5 74.9(14) . .
C6' C5' C8 C5 -43.8(13) . .
C5' C5 C8 O3 110.3(13) . .
C6' C5 C8 O3 -153.2(11) . .
C6 C5 C8 O3 170.7(8) . .
C4 C5 C8 O3 42.5(11) . .
C5' C5 C8 O4 -86.0(14) . .
C6' C5 C8 O4 10.5(15) . .
C6 C5 C8 O4 -25.6(12) . .
C4 C5 C8 O4 -153.8(7) . .
C6' C5 C8 C5' 96.5(18) . .
C6 C5 C8 C5' 60.4(13) . .
C4 C5 C8 C5' -67.8(13) . .
O6 C9 C10 C12 5.1(7) . 2_457
O5 C9 C10 C12 -176.0(5) . 2_457
O6 C9 C10 C11 134.0(5) . .
O5 C9 C10 C11 -47.2(6) . .
C12 C10 C11 C12 -54.0(7) 2_457 .
C9 C10 C11 C12 175.7(5) . .
C10 C11 C12 C10 53.5(7) . 2_457
O7 C13 C14 C16 40.2(7) . 2_566
O8 C13 C14 C16 -142.1(5) . 2_566
Cd1 C13 C14 C16 86(3) . 2_566
O7 C13 C14 C15 -84.3(6) . .
O8 C13 C14 C15 93.4(6) . .
Cd1 C13 C14 C15 -39(3) . .
C16 C14 C15 C16 55.9(7) 2_566 .
C13 C14 C15 C16 -178.7(5) . .
C14 C15 C16 C14 -55.7(7) . 2_566
N1 C18 C19 N2 -1.0(6) . .
C25 C20 C21 C22 -2.0(7) . .
N2 C20 C21 C22 178.7(4) . .
C20 C21 C22 C23 3.0(8) . .
C21 C22 C23 C24 -1.5(8) . .
C21 C22 C23 C30 179.2(5) . 2_457
C22 C23 C24 C25 -1.2(8) . .
C30 C23 C24 C25 178.3(5) 2_457 .
C22 C23 C24 C26 178.5(5) . 2_457
C30 C23 C24 C26 -2.0(6) 2_457 2_457
C23 C24 C25 C20 2.2(7) . .
C26 C24 C25 C20 -177.5(5) 2_457 .
C21 C20 C25 C24 -0.6(7) . .
N2 C20 C25 C24 178.6(4) . .
C24 C26 C29 C34 -176.3(5) 2_457 .
C27 C26 C29 C34 -56.8(7) . .
C28 C26 C29 C34 66.9(7) . .
C24 C26 C29 C30 4.5(5) 2_457 .
C27 C26 C29 C30 123.9(5) . .
C28 C26 C29 C30 -112.4(5) . .
C34 C29 C30 C31 -1.5(7) . .
C26 C29 C30 C31 177.8(5) . .
C34 C29 C30 C23 177.1(5) . 2_457
C26 C29 C30 C23 -3.6(6) . 2_457
C29 C30 C31 C32 -0.7(7) . .
C23 C30 C31 C32 -179.0(5) 2_457 .
C30 C31 C32 C33 2.5(8) . .
C31 C32 C33 C34 -2.0(8) . .
C31 C32 C33 N4 179.6(5) . .
C30 C29 C34 C33 2.0(7) . .
C26 C29 C34 C33 -177.2(5) . .
C32 C33 C34 C29 -0.2(7) . .
N4 C33 C34 C29 178.1(4) . .
N4 C35 C36 N3 -0.3(7) . .
N2 C17 N1 C18 0.1(6) . .
N2 C17 N1 Cd2 171.7(3) . .
C19 C18 N1 C17 0.6(6) . .
C19 C18 N1 Cd2 -169.8(4) . .
N1 C17 N2 C19 -0.7(6) . .
N1 C17 N2 C20 -178.8(4) . .
C18 C19 N2 C17 1.0(6) . .
C18 C19 N2 C20 179.1(4) . .
C21 C20 N2 C17 143.9(5) . .
C25 C20 N2 C17 -35.3(7) . .
C21 C20 N2 C19 -33.9(7) . .
C25 C20 N2 C19 146.9(5) . .
N4 C37 N3 C36 -1.2(6) . .
N4 C37 N3 Cd1 178.8(3) . .
C35 C36 N3 C37 0.9(7) . .
C35 C36 N3 Cd1 -179.1(4) . .
N3 C37 N4 C35 1.0(6) . .
N3 C37 N4 C33 -177.8(4) . .
C36 C35 N4 C37 -0.4(6) . .
C36 C35 N4 C33 178.4(5) . .
C32 C33 N4 C37 156.7(5) . .
C34 C33 N4 C37 -21.7(8) . .
C32 C33 N4 C35 -21.8(8) . .
C34 C33 N4 C35 159.8(5) . .
O2 C1 O1 Cd2 8.8(9) . .
C2 C1 O1 Cd2 172.6(6) . .
C2' C1 O1 Cd2 -158.0(5) . .
O3 C8 O4 Cd2 -1.1(6) . 1_455
C5' C8 O4 Cd2 168.6(4) . 1_455
C5 C8 O4 Cd2 -164.1(6) . 1_455
O3 C8 O4 Cd1 104.6(6) . .
C5' C8 O4 Cd1 -85.7(5) . .
C5 C8 O4 Cd1 -58.5(7) . .
O6 C9 O5 Cd2 86.6(6) . 1_455
C10 C9 O5 Cd2 -92.3(5) . 1_455
O6 C9 O5 Cd1 -0.4(5) . .
C10 C9 O5 Cd1 -179.3(4) . .
O5 C9 O6 Cd1 0.5(5) . .
C10 C9 O6 Cd1 179.3(4) . .
O8 C13 O7 Cd1 -4.4(5) . .
C14 C13 O7 Cd1 173.3(4) . .
O7 C13 O8 Cd2 -151.2(4) . 2_556
C14 C13 O8 Cd2 31.2(7) . 2_556
Cd1 C13 O8 Cd2 -155.1(4) . 2_556
O7 C13 O8 Cd1 3.9(5) . .
C14 C13 O8 Cd1 -173.7(4) . .
C13 O7 Cd1 N3 -102.2(3) . .
C13 O7 Cd1 OW1 -10.3(4) . .
C13 O7 Cd1 O6 164.1(3) . .
C13 O7 Cd1 O4 76.8(3) . .
C13 O7 Cd1 O8 2.4(3) . .
C13 O7 Cd1 O5 175.7(3) . .
C13 O7 Cd1 Cd2 64.1(4) . 1_455
C37 N3 Cd1 O7 -155.8(4) . .
C36 N3 Cd1 O7 24.1(5) . .
C37 N3 Cd1 OW1 71.0(4) . .
C36 N3 Cd1 OW1 -109.1(5) . .
C37 N3 Cd1 O6 -54.1(4) . .
C36 N3 Cd1 O6 125.8(5) . .
C37 N3 Cd1 O4 26.8(6) . .
C36 N3 Cd1 O4 -153.2(4) . .
C37 N3 Cd1 O8 151.1(4) . .
C36 N3 Cd1 O8 -29.0(5) . .
C37 N3 Cd1 O5 -1.7(4) . .
C36 N3 Cd1 O5 178.3(5) . .
C37 N3 Cd1 C13 178.0(4) . .
C36 N3 Cd1 C13 -2.1(5) . .
C37 N3 Cd1 Cd2 31.1(4) . 1_455
C36 N3 Cd1 Cd2 -148.9(5) . 1_455
Cd2 OW1 Cd1 O7 141.82(14) 1_455 .
Cd2 OW1 Cd1 N3 -126.74(12) 1_455 .
Cd2 OW1 Cd1 O6 -31.42(17) 1_455 .
Cd2 OW1 Cd1 O4 38.09(10) 1_455 .
Cd2 OW1 Cd1 O8 131.46(12) 1_455 .
Cd2 OW1 Cd1 O5 -40.92(10) 1_455 .
Cd2 OW1 Cd1 C13 137.02(12) 1_455 .
C9 O6 Cd1 O7 173.4(3) . .
C9 O6 Cd1 N3 82.4(3) . .
C9 O6 Cd1 OW1 -11.6(3) . .
C9 O6 Cd1 O4 -76.6(3) . .
C9 O6 Cd1 O8 -155.5(3) . .
C9 O6 Cd1 O5 -0.2(3) . .
C9 O6 Cd1 C13 -177.7(3) . .
C9 O6 Cd1 Cd2 -33.7(3) . 1_455
C8 O4 Cd1 O7 76.7(4) . .
Cd2 O4 Cd1 O7 -171.41(10) 1_455 .
C8 O4 Cd1 N3 -106.2(5) . .
Cd2 O4 Cd1 N3 5.7(4) 1_455 .
C8 O4 Cd1 OW1 -152.7(4) . .
Cd2 O4 Cd1 OW1 -40.78(10) 1_455 .
C8 O4 Cd1 O6 -23.4(3) . .
Cd2 O4 Cd1 O6 88.57(12) 1_455 .
C8 O4 Cd1 O8 127.8(3) . .
Cd2 O4 Cd1 O8 -120.27(11) 1_455 .
C8 O4 Cd1 O5 -76.7(3) . .
Cd2 O4 Cd1 O5 35.24(10) 1_455 .
C8 O4 Cd1 C13 103.3(4) . .
Cd2 O4 Cd1 C13 -144.77(12) 1_455 .
C8 O4 Cd1 Cd2 -111.9(4) . 1_455
C13 O8 Cd1 O7 -2.3(3) . .
Cd2 O8 Cd1 O7 150.0(3) 2_556 .
C13 O8 Cd1 N3 79.2(3) . .
Cd2 O8 Cd1 N3 -128.5(2) 2_556 .
C13 O8 Cd1 OW1 168.3(3) . .
Cd2 O8 Cd1 OW1 -39.4(2) 2_556 .
C13 O8 Cd1 O6 -41.1(4) . .
Cd2 O8 Cd1 O6 111.2(3) 2_556 .
C13 O8 Cd1 O4 -118.2(3) . .
Cd2 O8 Cd1 O4 34.1(2) 2_556 .
C13 O8 Cd1 O5 -176.1(3) . .
Cd2 O8 Cd1 O5 -23.8(4) 2_556 .
Cd2 O8 Cd1 C13 152.3(4) 2_556 .
C13 O8 Cd1 Cd2 -156.7(3) . 1_455
Cd2 O8 Cd1 Cd2 -4.4(3) 2_556 1_455
C9 O5 Cd1 O7 -14.1(4) . .
Cd2 O5 Cd1 O7 -141.7(3) 1_455 .
C9 O5 Cd1 N3 -97.1(3) . .
Cd2 O5 Cd1 N3 135.27(14) 1_455 .
C9 O5 Cd1 OW1 170.5(3) . .
Cd2 O5 Cd1 OW1 42.87(11) 1_455 .
C9 O5 Cd1 O6 0.2(3) . .
Cd2 O5 Cd1 O6 -127.36(17) 1_455 .
C9 O5 Cd1 O4 93.1(3) . .
Cd2 O5 Cd1 O4 -34.47(10) 1_455 .
C9 O5 Cd1 O8 154.4(3) . .
Cd2 O5 Cd1 O8 26.8(3) 1_455 .
C9 O5 Cd1 C13 93(3) . .
Cd2 O5 Cd1 C13 -35(3) 1_455 .
C9 O5 Cd1 Cd2 127.6(3) . 1_455
O8 C13 Cd1 O7 175.8(5) . .
C14 C13 Cd1 O7 -49(2) . .
O7 C13 Cd1 N3 79.2(3) . .
O8 C13 Cd1 N3 -105.0(3) . .
C14 C13 Cd1 N3 30(3) . .
O7 C13 Cd1 OW1 172.2(3) . .
O8 C13 Cd1 OW1 -12.0(3) . .
C14 C13 Cd1 OW1 123(3) . .
O7 C13 Cd1 O6 -19.7(4) . .
O8 C13 Cd1 O6 156.1(3) . .
C14 C13 Cd1 O6 -69(3) . .
O7 C13 Cd1 O4 -111.1(3) . .
O8 C13 Cd1 O4 64.7(3) . .
C14 C13 Cd1 O4 -160(3) . .
O7 C13 Cd1 O8 -175.8(5) . .
C14 C13 Cd1 O8 135(3) . .
O7 C13 Cd1 O5 -111(3) . .
O8 C13 Cd1 O5 65(3) . .
C14 C13 Cd1 O5 -160(3) . .
O7 C13 Cd1 Cd2 -144.4(3) . 1_455
O8 C13 Cd1 Cd2 31.4(3) . 1_455
C14 C13 Cd1 Cd2 166(2) . 1_455
C17 N1 Cd2 O8 -111.3(4) . 2_556
C18 N1 Cd2 O8 57.6(5) . 2_556
C17 N1 Cd2 O1 -21.5(4) . .
C18 N1 Cd2 O1 147.5(5) . .
C17 N1 Cd2 O4 148.3(3) . 1_655
C18 N1 Cd2 O4 -42.7(5) . 1_655
C17 N1 Cd2 O5 66.6(4) . 1_655
C18 N1 Cd2 O5 -124.4(4) . 1_655
C17 N1 Cd2 OW1 9.2(6) . 1_655
C18 N1 Cd2 OW1 178.2(4) . 1_655
C17 N1 Cd2 Cd1 90.4(4) . 1_655
C18 N1 Cd2 Cd1 -100.6(4) . 1_655
C1 O1 Cd2 N1 144.8(5) . .
C1 O1 Cd2 O8 -109.9(5) . 2_556
C1 O1 Cd2 O4 -16.2(7) . 1_655
C1 O1 Cd2 O5 50.0(5) . 1_655
C1 O1 Cd2 OW1 -24.1(5) . 1_655
C1 O1 Cd2 Cd1 6.3(5) . 1_655
