#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/33/4503320.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_4503320
loop_
_publ_author_name
'Li, Shun-Li'
'Lan, Ya-Qian'
'Ma, Jian-Fang'
'Fu, Yao-Mei'
'Yang, Jin'
'Ping, Guang-Ju'
'Liu, Jie'
'Su, Zhong-Min'
_publ_section_title
;
 Structures and Luminescent Properties of a Series of Zinc(II) and
 Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various
 Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1610
_journal_paper_doi               10.1021/cg700994p
_journal_volume                  8
_journal_year                    2008
_chemical_formula_moiety         'C28 H16 Cd2 N3 O10, 3(H6O)'
_chemical_formula_sum            'C28 H24 Cd2 N3 O13'
_chemical_formula_weight         835.30
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.4020(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.1100(7)
_cell_length_b                   26.7290(7)
_cell_length_c                   14.7020(7)
_cell_measurement_reflns_used    16532
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.68
_cell_measurement_theta_min      1.55
_cell_volume                     5914.4(4)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω 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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18114
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         1.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.512
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.876
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3304
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.936
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         7035
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0445
_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)+(0.0553P)²+3.3440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                4733
_reflns_number_total             7035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg700994p-file003.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4503320
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd -0.14039(2) 0.207771(13) 0.60463(3) 0.03727(12) Uani 1 1 d .
Cd2 Cd 0.24913(2) 0.081522(14) 0.93327(3) 0.04115(12) Uani 1 1 d .
C1 C 0.3716(4) -0.0682(2) 1.0216(4) 0.0541(14) Uani 1 1 d .
H1 H 0.3728 -0.1029 1.0252 0.065 Uiso 1 1 calc R
C2 C 0.3032(4) -0.0401(2) 0.9563(4) 0.0569(15) Uani 1 1 d .
H2 H 0.2482 -0.0522 0.9071 0.068 Uiso 1 1 calc R
C3 C 0.4106(3) 0.01061(17) 1.0496(3) 0.0360(11) Uani 1 1 d .
C4 C 0.4563(3) 0.05929(18) 1.0866(4) 0.0376(11) Uani 1 1 d .
C5 C 0.5474(4) 0.0655(2) 1.1490(4) 0.0530(14) Uani 1 1 d .
H5 H 0.5851 0.0380 1.1718 0.064 Uiso 1 1 calc R
C6 C 0.5805(4) 0.1133(2) 1.1764(5) 0.0640(17) Uani 1 1 d .
H6 H 0.6412 0.1182 1.2184 0.077 Uiso 1 1 calc R
C7 C 0.5237(4) 0.1540(2) 1.1415(5) 0.0654(17) Uani 1 1 d .
H7 H 0.5449 0.1865 1.1603 0.079 Uiso 1 1 calc R
C8 C 0.4351(4) 0.1449(2) 1.0783(4) 0.0543(14) Uani 1 1 d .
H8 H 0.3967 0.1721 1.0530 0.065 Uiso 1 1 calc R
C9 C 0.5271(3) -0.0530(2) 1.1678(4) 0.0485(13) Uani 1 1 d .
H9A H 0.5514 -0.0275 1.2210 0.058 Uiso 1 1 calc R
H9B H 0.5687 -0.0583 1.1413 0.058 Uiso 1 1 calc R
C10 C 0.5148(3) -0.10148(18) 1.2137(4) 0.0412(11) Uani 1 1 d .
C11 C 0.5295(4) -0.1467(2) 1.1770(4) 0.0570(15) Uani 1 1 d .
H11 H 0.5494 -0.1469 1.1281 0.068 Uiso 1 1 calc R
C12 C 0.5143(4) -0.1914(2) 1.2142(5) 0.0649(18) Uani 1 1 d .
H12 H 0.5239 -0.2217 1.1898 0.078 Uiso 1 1 calc R
C13 C 0.2025(3) 0.1207(2) 0.0746(3) 0.0396(11) Uani 1 1 d .
C14 C 0.2439(3) 0.22903(18) 0.1344(3) 0.0372(11) Uani 1 1 d .
C15 C 0.1782(3) 0.21623(19) 0.2493(3) 0.0402(12) Uani 1 1 d .
H15 H 0.1916 0.2496 0.2687 0.048 Uiso 1 1 calc R
C16 C 0.1988(3) 0.19539(18) 0.1773(3) 0.0349(11) Uani 1 1 d .
C17 C 0.1794(3) 0.14502(19) 0.1502(3) 0.0355(11) Uani 1 1 d .
C18 C 0.1403(3) 0.1171(2) 0.1980(4) 0.0468(13) Uani 1 1 d .
H18 H 0.1279 0.0834 0.1812 0.056 Uiso 1 1 calc R
C19 C 0.1198(3) 0.1376(2) 0.2683(4) 0.0496(14) Uani 1 1 d .
H19 H 0.0940 0.1183 0.2995 0.059 Uiso 1 1 calc R
C20 C 0.1373(3) 0.1868(2) 0.2924(4) 0.0462(13) Uani 1 1 d .
C21 C 0.0182(3) 0.1785(3) 0.6114(4) 0.0493(14) Uani 1 1 d .
C22 C 0.0940(3) 0.17690(18) 0.5857(3) 0.0355(11) Uani 1 1 d .
C23 C 0.0747(3) 0.19500(19) 0.4883(4) 0.0430(12) Uani 1 1 d .
H23 H 0.0199 0.2098 0.4466 0.052 Uiso 1 1 calc R
C24 C 0.1359(3) 0.1912(2) 0.4536(4) 0.0421(12) Uani 1 1 d .
C25 C 0.2169(4) 0.1707(2) 0.5135(4) 0.0524(14) Uani 1 1 d .
H25 H 0.2590 0.1698 0.4905 0.063 Uiso 1 1 calc R
C26 C 0.2366(3) 0.1511(2) 0.6087(4) 0.0462(13) Uani 1 1 d .
H26 H 0.2912 0.1357 0.6486 0.055 Uiso 1 1 calc R
C27 C 0.1756(3) 0.15417(18) 0.6462(3) 0.0358(11) Uani 1 1 d .
C28 C 0.2004(3) 0.13305(19) 0.7501(3) 0.0388(11) Uani 1 1 d .
N1 N 0.3271(3) 0.00976(16) 0.9733(3) 0.0443(10) Uani 1 1 d .
N2 N 0.4012(3) 0.09888(16) 1.0513(3) 0.0414(10) Uani 1 1 d .
N3 N 0.4404(3) -0.03619(15) 1.0831(3) 0.0432(10) Uani 1 1 d .
O1 O 0.2608(3) 0.10076(16) 0.7874(3) 0.0624(11) Uani 1 1 d .
O2 O 0.1595(2) 0.14620(14) 0.7973(2) 0.0502(9) Uani 1 1 d .
O3 O 0.2032(3) 0.07392(14) 0.0676(3) 0.0601(11) Uani 1 1 d .
O4 O 0.3264(2) 0.23171(14) 0.1835(3) 0.0494(9) Uani 1 1 d .
O5 O 0.2234(2) 0.14853(12) 0.0191(2) 0.0373(7) Uani 1 1 d .
O6 O 0.1972(2) 0.25511(13) 0.0559(3) 0.0463(9) Uani 1 1 d .
O7 O -0.0222(3) 0.1393(2) 0.6042(3) 0.0790(14) Uani 1 1 d .
O8 O -0.0046(3) 0.22003(19) 0.6282(4) 0.0764(13) Uani 1 1 d .
O9 O 0.1124(3) 0.21219(14) 0.3578(3) 0.0620(12) Uani 1 1 d .
O1W O 0.1212(4) 0.0334(3) 0.8346(4) 0.134(3) Uani 1 1 d .
O2W O 0.0292(5) 0.0463(3) 0.6230(6) 0.192(4) Uani 1 1 d .
O3W O 0.0862(15) -0.0354(8) 0.9557(17) 0.454(12) Uiso 1 1 d .
O4W O 0.2791(6) -0.0122(3) 1.1839(7) 0.184(3) Uiso 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
O8 Cd1 O4 108.83(16) . 8_456
O8 Cd1 O2 117.32(16) . 2_556
O4 Cd1 O2 92.61(13) 8_456 2_556
O8 Cd1 O5 115.55(14) . 2
O4 Cd1 O5 134.04(12) 8_456 2
O2 Cd1 O5 77.72(11) 2_556 2
O8 Cd1 O6 88.86(15) . 2
O4 Cd1 O6 92.56(12) 8_456 2
O2 Cd1 O6 149.83(12) 2_556 2
O5 Cd1 O6 77.37(11) 2 2
N1 Cd2 O1 97.50(14) . .
N1 Cd2 O5 138.48(12) . 1_556
O1 Cd2 O5 116.81(13) . 1_556
N1 Cd2 O1W 87.6(2) . .
O1 Cd2 O1W 90.89(18) . .
O5 Cd2 O1W 113.0(2) 1_556 .
N1 Cd2 N2 70.73(14) . .
O1 Cd2 N2 94.92(14) . .
O5 Cd2 N2 83.07(13) 1_556 .
O1W Cd2 N2 158.1(2) . .
N1 Cd2 O3 95.50(14) . 1_556
O1 Cd2 O3 165.70(13) . 1_556
O5 Cd2 O3 54.41(11) 1_556 1_556
O1W Cd2 O3 83.72(18) . 1_556
N2 Cd2 O3 94.97(14) . 1_556
N1 Cd2 O2 148.16(13) . .
O1 Cd2 O2 53.25(11) . .
O5 Cd2 O2 72.89(10) 1_556 .
O1W Cd2 O2 81.36(18) . .
N2 Cd2 O2 118.83(13) . .
O3 Cd2 O2 112.67(12) 1_556 .
C2 C1 N3 107.7(5) . .
C1 C2 N1 109.2(5) . .
N1 C3 N3 111.0(4) . .
N1 C3 C4 119.4(4) . .
N3 C3 C4 129.6(4) . .
N2 C4 C5 121.3(5) . .
N2 C4 C3 113.5(4) . .
C5 C4 C3 125.3(5) . .
C6 C5 C4 118.7(5) . .
C5 C6 C7 120.1(5) . .
C8 C7 C6 117.8(6) . .
N2 C8 C7 123.2(5) . .
N3 C9 C10 109.6(4) . .
C10 C10 C11 119.9(3) 2_657 .
C10 C10 C9 121.5(3) 2_657 .
C11 C10 C9 118.5(5) . .
C12 C11 C10 119.4(6) . .
C12 C12 C11 120.7(4) 2_657 .
O3 C13 O5 120.8(4) . .
O3 C13 C17 120.7(4) . .
O5 C13 C17 118.4(5) . .
O4 C14 O6 123.5(4) . .
O4 C14 C16 117.1(4) . .
O6 C14 C16 119.2(4) . .
C16 C15 C20 119.3(5) . .
C15 C16 C17 119.5(4) . .
C15 C16 C14 116.7(4) . .
C17 C16 C14 123.8(4) . .
C18 C17 C16 118.5(4) . .
C18 C17 C13 120.1(5) . .
C16 C17 C13 121.3(4) . .
C19 C18 C17 121.8(5) . .
C18 C19 C20 119.1(5) . .
C19 C20 C15 121.7(5) . .
C19 C20 O9 123.2(5) . .
C15 C20 O9 115.0(5) . .
O7 C21 O8 124.2(5) . .
O7 C21 C22 117.9(5) . .
O8 C21 C22 117.5(6) . .
C27 C22 C23 119.0(4) . .
C27 C22 C21 124.8(4) . .
C23 C22 C21 115.8(4) . .
C24 C23 C22 120.5(4) . .
C25 C24 C23 121.0(4) . .
C25 C24 O9 122.5(4) . .
C23 C24 O9 116.4(4) . .
C24 C25 C26 119.6(4) . .
C25 C26 C27 120.8(4) . .
C22 C27 C26 119.0(4) . .
C22 C27 C28 122.2(4) . .
C26 C27 C28 118.8(4) . .
O2 C28 O1 121.0(4) . .
O2 C28 C27 120.1(4) . .
O1 C28 C27 118.9(4) . .
C3 N1 C2 106.0(4) . .
C3 N1 Cd2 118.1(3) . .
C2 N1 Cd2 133.4(3) . .
C8 N2 C4 118.9(4) . .
C8 N2 Cd2 124.3(4) . .
C4 N2 Cd2 116.7(3) . .
C3 N3 C1 106.1(4) . .
C3 N3 C9 129.8(4) . .
C1 N3 C9 124.1(4) . .
C28 O1 Cd2 98.1(3) . .
C28 O2 Cd1 146.2(4) . 2_556
C28 O2 Cd2 87.5(3) . .
Cd1 O2 Cd2 101.89(11) 2_556 .
C13 O3 Cd2 90.1(3) . 1_554
C14 O4 Cd1 103.9(3) . 8
C13 O5 Cd1 130.3(3) . 2
C13 O5 Cd2 94.6(3) . 1_554
Cd1 O5 Cd2 107.49(12) 2 1_554
C14 O6 Cd1 112.8(3) . 2
C21 O8 Cd1 104.1(4) . .
C24 O9 C20 117.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O8 2.205(4) .
Cd1 O4 2.217(3) 8_456
Cd1 O2 2.311(3) 2_556
Cd1 O5 2.319(3) 2
Cd1 O6 2.436(3) 2
Cd2 N1 2.249(4) .
Cd2 O1 2.305(4) .
Cd2 O5 2.350(3) 1_556
Cd2 O1W 2.351(5) .
Cd2 N2 2.388(4) .
Cd2 O3 2.457(4) 1_556
Cd2 O2 2.533(4) .
C1 C2 1.336(7) .
C1 N3 1.387(6) .
C2 N1 1.382(7) .
C3 N1 1.333(6) .
C3 N3 1.352(6) .
C3 C4 1.482(7) .
C4 N2 1.346(6) .
C4 C5 1.392(7) .
C5 C6 1.377(8) .
C6 C7 1.385(8) .
C7 C8 1.371(8) .
C8 N2 1.337(7) .
C9 N3 1.482(6) .
C9 C10 1.521(7) .
C10 C10 1.381(10) 2_657
C10 C11 1.395(7) .
C11 C12 1.390(8) .
C12 C12 1.355(13) 2_657
C13 O3 1.255(6) .
C13 O5 1.275(5) .
C13 C17 1.494(7) .
C14 O4 1.245(6) .
C14 O6 1.256(5) .
C14 C16 1.504(6) .
C15 C16 1.383(6) .
C15 C20 1.390(7) .
C16 C17 1.399(7) .
C17 C18 1.396(6) .
C18 C19 1.355(7) .
C19 C20 1.359(7) .
C20 O9 1.398(6) .
C21 O7 1.231(7) .
C21 O8 1.240(7) .
C21 C22 1.514(6) .
C22 C27 1.388(6) .
C22 C23 1.395(6) .
C23 C24 1.369(6) .
C24 C25 1.355(7) .
C24 O9 1.387(5) .
C25 C26 1.378(7) .
C26 C27 1.395(6) .
C27 C28 1.488(6) .
C28 O2 1.248(5) .
C28 O1 1.255(6) .
O2 Cd1 2.311(3) 2_556
O3 Cd2 2.457(4) 1_554
O4 Cd1 2.217(3) 8
O5 Cd1 2.319(3) 2
O5 Cd2 2.350(3) 1_554
O6 Cd1 2.436(3) 2
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
N3 C1 C2 N1 0.9(7) . .
N1 C3 C4 N2 12.4(6) . .
N3 C3 C4 N2 -166.5(5) . .
N1 C3 C4 C5 -165.7(5) . .
N3 C3 C4 C5 15.4(8) . .
N2 C4 C5 C6 1.4(8) . .
C3 C4 C5 C6 179.4(5) . .
C4 C5 C6 C7 -0.4(9) . .
C5 C6 C7 C8 -1.1(10) . .
C6 C7 C8 N2 1.7(9) . .
N3 C9 C10 C10 -81.9(7) . 2_657
N3 C9 C10 C11 94.9(5) . .
C10 C10 C11 C12 -0.1(9) 2_657 .
C9 C10 C11 C12 -176.8(5) . .
C10 C11 C12 C12 -0.2(11) . 2_657
C20 C15 C16 C17 -0.9(7) . .
C20 C15 C16 C14 -179.4(4) . .
O4 C14 C16 C15 87.1(6) . .
O6 C14 C16 C15 -88.4(5) . .
O4 C14 C16 C17 -91.4(6) . .
O6 C14 C16 C17 93.2(6) . .
C15 C16 C17 C18 -0.6(7) . .
C14 C16 C17 C18 177.8(4) . .
C15 C16 C17 C13 -178.6(4) . .
C14 C16 C17 C13 -0.2(7) . .
O3 C13 C17 C18 -13.7(7) . .
O5 C13 C17 C18 167.9(4) . .
O3 C13 C17 C16 164.2(5) . .
O5 C13 C17 C16 -14.2(7) . .
C16 C17 C18 C19 0.9(7) . .
C13 C17 C18 C19 178.9(5) . .
C17 C18 C19 C20 0.4(8) . .
C18 C19 C20 C15 -2.0(8) . .
C18 C19 C20 O9 174.9(5) . .
C16 C15 C20 C19 2.3(7) . .
C16 C15 C20 O9 -174.9(4) . .
O7 C21 C22 C27 -71.4(7) . .
O8 C21 C22 C27 115.7(6) . .
O7 C21 C22 C23 101.2(6) . .
O8 C21 C22 C23 -71.7(6) . .
C27 C22 C23 C24 -1.1(8) . .
C21 C22 C23 C24 -174.1(5) . .
C22 C23 C24 C25 -1.3(9) . .
C22 C23 C24 O9 -177.2(5) . .
C23 C24 C25 C26 3.3(9) . .
O9 C24 C25 C26 178.9(5) . .
C24 C25 C26 C27 -2.9(9) . .
C23 C22 C27 C26 1.5(8) . .
C21 C22 C27 C26 173.8(5) . .
C23 C22 C27 C28 -178.8(5) . .
C21 C22 C27 C28 -6.5(8) . .
C25 C26 C27 C22 0.5(8) . .
C25 C26 C27 C28 -179.3(5) . .
C22 C27 C28 O2 -18.6(8) . .
C26 C27 C28 O2 161.1(5) . .
C22 C27 C28 O1 159.0(5) . .
C26 C27 C28 O1 -21.3(7) . .
N3 C3 N1 C2 -1.0(6) . .
C4 C3 N1 C2 179.9(4) . .
N3 C3 N1 Cd2 163.5(3) . .
C4 C3 N1 Cd2 -15.6(6) . .
C1 C2 N1 C3 0.0(6) . .
C1 C2 N1 Cd2 -161.0(4) . .
O1 Cd2 N1 C3 102.2(4) . .
O5 Cd2 N1 C3 -44.4(4) 1_556 .
O1W Cd2 N1 C3 -167.2(4) . .
N2 Cd2 N1 C3 9.6(3) . .
O3 Cd2 N1 C3 -83.7(4) 1_556 .
O2 Cd2 N1 C3 123.5(3) . .
O1 Cd2 N1 C2 -98.5(5) . .
O5 Cd2 N1 C2 114.9(5) 1_556 .
O1W Cd2 N1 C2 -7.9(5) . .
N2 Cd2 N1 C2 168.9(5) . .
O3 Cd2 N1 C2 75.6(5) 1_556 .
O2 Cd2 N1 C2 -77.2(6) . .
C7 C8 N2 C4 -0.7(8) . .
C7 C8 N2 Cd2 -176.0(4) . .
C5 C4 N2 C8 -0.9(7) . .
C3 C4 N2 C8 -179.1(4) . .
C5 C4 N2 Cd2 174.8(4) . .
C3 C4 N2 Cd2 -3.4(5) . .
N1 Cd2 N2 C8 172.6(4) . .
O1 Cd2 N2 C8 76.3(4) . .
O5 Cd2 N2 C8 -40.1(4) 1_556 .
O1W Cd2 N2 C8 -178.9(5) . .
O3 Cd2 N2 C8 -93.3(4) 1_556 .
O2 Cd2 N2 C8 26.0(4) . .
N1 Cd2 N2 C4 -2.8(3) . .
O1 Cd2 N2 C4 -99.1(3) . .
O5 Cd2 N2 C4 144.5(3) 1_556 .
O1W Cd2 N2 C4 5.7(7) . .
O3 Cd2 N2 C4 91.3(3) 1_556 .
O2 Cd2 N2 C4 -149.4(3) . .
N1 C3 N3 C1 1.6(6) . .
C4 C3 N3 C1 -179.5(5) . .
N1 C3 N3 C9 -177.8(5) . .
C4 C3 N3 C9 1.2(8) . .
C2 C1 N3 C3 -1.5(6) . .
C2 C1 N3 C9 177.9(5) . .
C10 C9 N3 C3 149.9(5) . .
C10 C9 N3 C1 -29.4(7) . .
O2 C28 O1 Cd2 3.4(6) . .
C27 C28 O1 Cd2 -174.2(4) . .
N1 Cd2 O1 C28 164.4(3) . .
O5 Cd2 O1 C28 -39.8(4) 1_556 .
O1W Cd2 O1 C28 76.7(4) . .
N2 Cd2 O1 C28 -124.5(3) . .
O3 Cd2 O1 C28 9.2(8) 1_556 .
O2 Cd2 O1 C28 -1.8(3) . .
O1 C28 O2 Cd1 104.8(7) . 2_556
C27 C28 O2 Cd1 -77.7(7) . 2_556
O1 C28 O2 Cd2 -3.1(5) . .
C27 C28 O2 Cd2 174.5(4) . .
N1 Cd2 O2 C28 -24.9(4) . .
O1 Cd2 O2 C28 1.8(3) . .
O5 Cd2 O2 C28 146.8(3) 1_556 .
O1W Cd2 O2 C28 -95.8(3) . .
N2 Cd2 O2 C28 75.0(3) . .
O3 Cd2 O2 C28 -175.3(3) 1_556 .
N1 Cd2 O2 Cd1 -172.1(2) . 2_556
O1 Cd2 O2 Cd1 -145.4(2) . 2_556
O5 Cd2 O2 Cd1 -0.44(12) 1_556 2_556
O1W Cd2 O2 Cd1 117.0(2) . 2_556
N2 Cd2 O2 Cd1 -72.18(17) . 2_556
O3 Cd2 O2 Cd1 37.52(18) 1_556 2_556
O5 C13 O3 Cd2 -0.7(5) . 1_554
C17 C13 O3 Cd2 -179.0(4) . 1_554
O6 C14 O4 Cd1 2.8(6) . 8
C16 C14 O4 Cd1 -172.4(3) . 8
O3 C13 O5 Cd1 118.3(5) . 2
C17 C13 O5 Cd1 -63.3(6) . 2
O3 C13 O5 Cd2 0.7(5) . 1_554
C17 C13 O5 Cd2 179.1(4) . 1_554
O4 C14 O6 Cd1 105.0(5) . 2
C16 C14 O6 Cd1 -79.9(4) . 2
O7 C21 O8 Cd1 -12.5(6) . .
C22 C21 O8 Cd1 159.9(3) . .
O4 Cd1 O8 C21 159.9(3) 8_456 .
O2 Cd1 O8 C21 56.6(4) 2_556 .
O5 Cd1 O8 C21 -32.4(4) 2 .
O6 Cd1 O8 C21 -107.8(3) 2 .
C25 C24 O9 C20 42.4(8) . .
C23 C24 O9 C20 -141.8(5) . .
C19 C20 O9 C24 51.5(7) . .
C15 C20 O9 C24 -131.4(5) . .
