#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/24/8102424.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_8102424
loop_
_publ_author_name
'Hong Chen'
'Xiu-Ling Wu'
'Bo Hu'
'Bing Xiao'
'Ye Wu'
'Li Zhang'
'Si-Yuan Luo'
'Hong-Xue Xie'
'Da-Wei Meng'
_publ_section_title
;
 Crystal structure of
 cis-bis(2-methylimidazolyl)-bis(cis-cinnamato-O,O')cadmium(II),
 Cd(C9H7O2)2(C4H6N2)2
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              215
_journal_volume                  224
_journal_year                    2009
_chemical_formula_sum            'C26 H26 Cd N4 O4'
_chemical_formula_weight         570.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.6180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3178(14)
_cell_length_b                   10.9019(8)
_cell_length_c                   13.2580(10)
_cell_measurement_reflns_used    7571
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.80
_cell_measurement_theta_min      2.43
_cell_volume                     2610.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28908
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_T_max  0.9177
_exptl_absorpt_correction_T_min  0.8446
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5670
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0546P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0981
_reflns_number_gt                4094
_reflns_number_total             5670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2544.cff
_cod_data_source_block           t
_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               8102424
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.313582(11) 0.507210(17) 0.333508(15) 0.04706(10) Uani 1 1 d . . .
C1 C 0.06066(16) 0.2859(4) -0.0206(3) 0.0719(10) Uani 1 1 d . . .
C2 C 0.0520(2) 0.1634(4) -0.0368(3) 0.0967(13) Uani 1 1 d . . .
H2 H 0.0755 0.1086 0.0118 0.116 Uiso 1 1 calc R . .
C3 C 0.0086(2) 0.1191(5) -0.1249(5) 0.1154(17) Uani 1 1 d . . .
H3 H 0.0041 0.0350 -0.1357 0.138 Uiso 1 1 calc R . .
C4 C -0.0272(2) 0.1977(6) -0.1953(4) 0.1179(19) Uani 1 1 d . . .
H4 H -0.0568 0.1674 -0.2539 0.142 Uiso 1 1 calc R . .
C5 C -0.0201(2) 0.3208(6) -0.1807(3) 0.1119(16) Uani 1 1 d . . .
H5 H -0.0446 0.3750 -0.2291 0.134 Uiso 1 1 calc R . .
C6 C 0.02414(19) 0.3650(4) -0.0923(3) 0.0883(12) Uani 1 1 d . . .
H6 H 0.0290 0.4492 -0.0818 0.106 Uiso 1 1 calc R . .
C7 C 0.11057(17) 0.3278(3) 0.0741(3) 0.0757(10) Uani 1 1 d . . .
H7 H 0.1205 0.2716 0.1274 0.091 Uiso 1 1 calc R . .
C8 C 0.14067(18) 0.4322(4) 0.0889(3) 0.0731(9) Uani 1 1 d . . .
H8 H 0.1266 0.4931 0.0404 0.088 Uiso 1 1 calc R . .
C9 C 0.19754(17) 0.4634(3) 0.1799(3) 0.0597(8) Uani 1 1 d . . .
C10 C 0.64068(17) 0.4845(2) 0.2111(2) 0.0486(7) Uani 1 1 d . . .
C11 C 0.68863(18) 0.3851(3) 0.2304(2) 0.0599(8) Uani 1 1 d . . .
H11 H 0.6702 0.3098 0.2474 0.072 Uiso 1 1 calc R . .
C12 C 0.76253(18) 0.3957(3) 0.2248(3) 0.0705(9) Uani 1 1 d . . .
H12 H 0.7936 0.3283 0.2390 0.085 Uiso 1 1 calc R . .
C13 C 0.7905(2) 0.5049(3) 0.1985(3) 0.0715(10) Uani 1 1 d . . .
H13 H 0.8405 0.5116 0.1943 0.086 Uiso 1 1 calc R . .
C14 C 0.7448(2) 0.6049(3) 0.1781(3) 0.0753(10) Uani 1 1 d . . .
H14 H 0.7639 0.6794 0.1605 0.090 Uiso 1 1 calc R . .
C15 C 0.67030(18) 0.5948(3) 0.1839(3) 0.0652(9) Uani 1 1 d . . .
H15 H 0.6396 0.6627 0.1693 0.078 Uiso 1 1 calc R . .
C16 C 0.56282(16) 0.4691(3) 0.2218(2) 0.0510(7) Uani 1 1 d . . .
H16 H 0.5466 0.3890 0.2281 0.061 Uiso 1 1 calc R . .
C17 C 0.51308(16) 0.5568(3) 0.2236(2) 0.0545(7) Uani 1 1 d . . .
H17 H 0.5258 0.6369 0.2095 0.065 Uiso 1 1 calc R . .
C18 C 0.43761(16) 0.5327(3) 0.2471(2) 0.0481(7) Uani 1 1 d . . .
C19 C 0.34735(18) 0.3200(3) 0.5253(2) 0.0600(8) Uani 1 1 d . . .
C20 C 0.4623(2) 0.2621(4) 0.5339(3) 0.0801(10) Uani 1 1 d . . .
H20 H 0.5072 0.2218 0.5535 0.096 Uiso 1 1 calc R . .
C21 C 0.44740(17) 0.3457(3) 0.4628(3) 0.0680(9) Uani 1 1 d . . .
H21 H 0.4807 0.3756 0.4230 0.082 Uiso 1 1 calc R . .
C22 C 0.27125(19) 0.3310(4) 0.5484(3) 0.0864(11) Uani 1 1 d . . .
H22A H 0.2614 0.4151 0.5629 0.130 Uiso 1 1 calc R . .
H22B H 0.2667 0.2812 0.6067 0.130 Uiso 1 1 calc R . .
H22C H 0.2364 0.3038 0.4905 0.130 Uiso 1 1 calc R . .
C23 C 0.27188(16) 0.7140(3) 0.4915(2) 0.0528(7) Uani 1 1 d . . .
C24 C 0.17410(17) 0.6201(3) 0.4202(3) 0.0648(8) Uani 1 1 d . . .
H24 H 0.1429 0.5661 0.3791 0.078 Uiso 1 1 calc R . .
C25 C 0.15237(18) 0.7020(3) 0.4836(3) 0.0718(9) Uani 1 1 d . . .
H25 H 0.1042 0.7158 0.4946 0.086 Uiso 1 1 calc R . .
C26 C 0.34978(18) 0.7561(4) 0.5226(3) 0.0829(11) Uani 1 1 d . . .
H26A H 0.3789 0.6908 0.5573 0.124 Uiso 1 1 calc R . .
H26B H 0.3509 0.8253 0.5676 0.124 Uiso 1 1 calc R . .
H26C H 0.3698 0.7794 0.4629 0.124 Uiso 1 1 calc R . .
N1 N 0.37319(14) 0.3838(2) 0.45567(19) 0.0590(6) Uani 1 1 d . . .
N2 N 0.39770(16) 0.2453(2) 0.5746(2) 0.0702(8) Uani 1 1 d . . .
H2A H 0.3917 0.1954 0.6228 0.084 Uiso 1 1 calc R . .
N3 N 0.24962(12) 0.6272(2) 0.42473(18) 0.0534(6) Uani 1 1 d . . .
N4 N 0.21426(14) 0.7612(2) 0.52876(19) 0.0650(7) Uani 1 1 d . . .
H4A H 0.2162 0.8188 0.5734 0.078 Uiso 1 1 calc R . .
O1 O 0.21365(12) 0.3914(2) 0.25384(19) 0.0748(6) Uani 1 1 d . . .
O2 O 0.22872(13) 0.5646(2) 0.17757(17) 0.0726(6) Uani 1 1 d . . .
O3 O 0.40715(11) 0.61962(18) 0.28779(16) 0.0578(5) Uani 1 1 d . . .
O4 O 0.40802(11) 0.42992(19) 0.23239(15) 0.0582(5) 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
_geom_angle_publ_flag
N3 Cd1 N1 101.28(9) . . ?
N3 Cd1 O3 108.37(8) . . ?
N1 Cd1 O3 102.61(8) . . ?
N3 Cd1 O1 96.85(9) . . ?
N1 Cd1 O1 104.68(9) . . ?
O3 Cd1 O1 138.03(8) . . ?
N3 Cd1 O2 89.49(9) . . ?
N1 Cd1 O2 157.74(9) . . ?
O3 Cd1 O2 92.16(7) . . ?
O1 Cd1 O2 54.25(8) . . ?
N3 Cd1 O4 162.83(8) . . ?
N1 Cd1 O4 83.59(8) . . ?
O3 Cd1 O4 54.48(7) . . ?
O1 Cd1 O4 97.80(8) . . ?
O2 Cd1 O4 91.82(8) . . ?
N3 Cd1 C18 135.67(9) . . ?
N1 Cd1 C18 91.46(9) . . ?
O3 Cd1 C18 27.46(7) . . ?
O1 Cd1 C18 120.84(9) . . ?
O2 Cd1 C18 94.31(8) . . ?
O4 Cd1 C18 27.16(7) . . ?
N3 Cd1 C9 95.30(9) . . ?
N1 Cd1 C9 131.18(10) . . ?
O3 Cd1 C9 115.08(9) . . ?
O1 Cd1 C9 27.22(9) . . ?
O2 Cd1 C9 27.14(10) . . ?
O4 Cd1 C9 93.63(8) . . ?
C18 Cd1 C9 107.73(9) . . ?
C2 C1 C6 118.6(4) . . ?
C2 C1 C7 118.1(4) . . ?
C6 C1 C7 123.3(4) . . ?
C1 C2 C3 120.8(4) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 120.3(5) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.2(5) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 119.3(5) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 120.8(4) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C1 126.4(4) . . ?
C8 C7 H7 116.8 . . ?
C1 C7 H7 116.8 . . ?
C7 C8 C9 123.8(4) . . ?
C7 C8 H8 118.1 . . ?
C9 C8 H8 118.1 . . ?
O2 C9 O1 121.8(3) . . ?
O2 C9 C8 116.2(3) . . ?
O1 C9 C8 122.0(3) . . ?
O2 C9 Cd1 63.91(15) . . ?
O1 C9 Cd1 58.23(16) . . ?
C8 C9 Cd1 173.0(2) . . ?
C11 C10 C15 117.3(3) . . ?
C11 C10 C16 119.2(3) . . ?
C15 C10 C16 123.5(3) . . ?
C12 C11 C10 121.5(3) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 120.0(3) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C10 120.9(3) . . ?
C14 C15 H15 119.5 . . ?
C10 C15 H15 119.5 . . ?
C17 C16 C10 127.1(3) . . ?
C17 C16 H16 116.5 . . ?
C10 C16 H16 116.5 . . ?
C16 C17 C18 122.8(3) . . ?
C16 C17 H17 118.6 . . ?
C18 C17 H17 118.6 . . ?
O4 C18 O3 121.9(3) . . ?
O4 C18 C17 121.3(3) . . ?
O3 C18 C17 116.6(3) . . ?
O4 C18 Cd1 66.57(15) . . ?
O3 C18 Cd1 55.87(14) . . ?
C17 C18 Cd1 166.9(2) . . ?
N1 C19 N2 111.9(3) . . ?
N1 C19 C22 124.6(3) . . ?
N2 C19 C22 123.5(3) . . ?
C21 C20 N2 106.4(3) . . ?
C21 C20 H20 126.8 . . ?
N2 C20 H20 126.8 . . ?
C20 C21 N1 109.7(3) . . ?
C20 C21 H21 125.1 . . ?
N1 C21 H21 125.1 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 N4 110.5(3) . . ?
N3 C23 C26 125.7(3) . . ?
N4 C23 C26 123.8(3) . . ?
C25 C24 N3 109.8(3) . . ?
C25 C24 H24 125.1 . . ?
N3 C24 H24 125.1 . . ?
C24 C25 N4 106.4(3) . . ?
C24 C25 H25 126.8 . . ?
N4 C25 H25 126.8 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 N1 C21 104.8(3) . . ?
C19 N1 Cd1 129.7(2) . . ?
C21 N1 Cd1 124.9(2) . . ?
C19 N2 C20 107.2(3) . . ?
C19 N2 H2A 126.4 . . ?
C20 N2 H2A 126.4 . . ?
C23 N3 C24 105.5(2) . . ?
C23 N3 Cd1 130.78(19) . . ?
C24 N3 Cd1 123.8(2) . . ?
C23 N4 C25 107.9(3) . . ?
C23 N4 H4A 126.1 . . ?
C25 N4 H4A 126.1 . . ?
C9 O1 Cd1 94.55(19) . . ?
C9 O2 Cd1 88.95(19) . . ?
C18 O3 Cd1 96.67(17) . . ?
C18 O4 Cd1 86.27(16) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 N3 2.241(2) . ?
Cd1 N1 2.243(2) . ?
Cd1 O3 2.2703(19) . ?
Cd1 O1 2.327(2) . ?
Cd1 O2 2.451(2) . ?
Cd1 O4 2.5049(19) . ?
Cd1 C18 2.724(3) . ?
Cd1 C9 2.729(3) . ?
C1 C2 1.358(5) . ?
C1 C6 1.372(5) . ?
C1 C7 1.496(5) . ?
C2 C3 1.384(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.354(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.266(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.496(4) . ?
C8 H8 0.9300 . ?
C9 O2 1.245(4) . ?
C9 O1 1.252(4) . ?
C10 C11 1.391(4) . ?
C10 C15 1.392(4) . ?
C10 C16 1.466(4) . ?
C11 C12 1.373(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.363(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.373(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.324(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.490(4) . ?
C17 H17 0.9300 . ?
C18 O4 1.246(3) . ?
C18 O3 1.265(3) . ?
C19 N1 1.306(4) . ?
C19 N2 1.320(4) . ?
C19 C22 1.481(4) . ?
C20 C21 1.307(4) . ?
C20 N2 1.392(4) . ?
C20 H20 0.9300 . ?
C21 N1 1.410(4) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 N3 1.314(3) . ?
C23 N4 1.340(4) . ?
C23 C26 1.490(4) . ?
C24 C25 1.332(4) . ?
C24 N3 1.377(4) . ?
C24 H24 0.9300 . ?
C25 N4 1.354(4) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N2 H2A 0.8600 . ?
N4 H4A 0.8600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N4 H4A O2 0.86 1.86 2.720(3) 174.2 4_576
N2 H2A O4 0.86 1.98 2.816(3) 163.6 4_566
C11 H11 O3 0.93 2.51 3.373(4) 154.2 2_645
C14 H14 O1 0.93 2.58 3.304(4) 135.4 2_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.5(6) . . . . ?
C7 C1 C2 C3 -177.7(4) . . . . ?
C1 C2 C3 C4 -1.5(7) . . . . ?
C2 C3 C4 C5 0.8(8) . . . . ?
C3 C4 C5 C6 -0.2(8) . . . . ?
C2 C1 C6 C5 -0.9(6) . . . . ?
C7 C1 C6 C5 178.2(3) . . . . ?
C4 C5 C6 C1 0.3(7) . . . . ?
C2 C1 C7 C8 159.7(4) . . . . ?
C6 C1 C7 C8 -19.4(6) . . . . ?
C1 C7 C8 C9 -171.9(3) . . . . ?
C7 C8 C9 O2 171.3(3) . . . . ?
C7 C8 C9 O1 -7.8(5) . . . . ?
C7 C8 C9 Cd1 82(2) . . . . ?
N3 Cd1 C9 O2 78.4(2) . . . . ?
N1 Cd1 C9 O2 -171.57(18) . . . . ?
O3 Cd1 C9 O2 -34.7(2) . . . . ?
O1 Cd1 C9 O2 173.1(3) . . . . ?
O4 Cd1 C9 O2 -86.9(2) . . . . ?
C18 Cd1 C9 O2 -63.2(2) . . . . ?
N3 Cd1 C9 O1 -94.7(2) . . . . ?
N1 Cd1 C9 O1 15.4(2) . . . . ?
O3 Cd1 C9 O1 152.20(18) . . . . ?
O2 Cd1 C9 O1 -173.1(3) . . . . ?
O4 Cd1 C9 O1 100.01(19) . . . . ?
C18 Cd1 C9 O1 123.71(19) . . . . ?
N3 Cd1 C9 C8 171(2) . . . . ?
N1 Cd1 C9 C8 -79(2) . . . . ?
O3 Cd1 C9 C8 58(2) . . . . ?
O1 Cd1 C9 C8 -94(2) . . . . ?
O2 Cd1 C9 C8 93(2) . . . . ?
O4 Cd1 C9 C8 6(2) . . . . ?
C18 Cd1 C9 C8 30(2) . . . . ?
C15 C10 C11 C12 1.3(5) . . . . ?
C16 C10 C11 C12 -177.8(3) . . . . ?
C10 C11 C12 C13 -1.0(5) . . . . ?
C11 C12 C13 C14 0.5(6) . . . . ?
C12 C13 C14 C15 -0.3(6) . . . . ?
C13 C14 C15 C10 0.7(6) . . . . ?
C11 C10 C15 C14 -1.1(5) . . . . ?
C16 C10 C15 C14 177.9(3) . . . . ?
C11 C10 C16 C17 167.7(3) . . . . ?
C15 C10 C16 C17 -11.3(5) . . . . ?
C10 C16 C17 C18 -172.6(3) . . . . ?
C16 C17 C18 O4 -24.8(4) . . . . ?
C16 C17 C18 O3 151.4(3) . . . . ?
C16 C17 C18 Cd1 99.3(9) . . . . ?
N3 Cd1 C18 O4 -179.27(14) . . . . ?
N1 Cd1 C18 O4 72.90(17) . . . . ?
O3 Cd1 C18 O4 -172.0(3) . . . . ?
O1 Cd1 C18 O4 -35.18(19) . . . . ?
O2 Cd1 C18 O4 -85.59(17) . . . . ?
C9 Cd1 C18 O4 -61.49(18) . . . . ?
N3 Cd1 C18 O3 -7.3(2) . . . . ?
N1 Cd1 C18 O3 -115.12(17) . . . . ?
O1 Cd1 C18 O3 136.79(16) . . . . ?
O2 Cd1 C18 O3 86.39(17) . . . . ?
O4 Cd1 C18 O3 172.0(3) . . . . ?
C9 Cd1 C18 O3 110.49(18) . . . . ?
N3 Cd1 C18 C17 51.1(10) . . . . ?
N1 Cd1 C18 C17 -56.7(9) . . . . ?
O3 Cd1 C18 C17 58.4(9) . . . . ?
O1 Cd1 C18 C17 -164.8(9) . . . . ?
O2 Cd1 C18 C17 144.8(9) . . . . ?
O4 Cd1 C18 C17 -129.6(10) . . . . ?
C9 Cd1 C18 C17 168.9(9) . . . . ?
N2 C20 C21 N1 -0.4(4) . . . . ?
N3 C24 C25 N4 -0.2(4) . . . . ?
N2 C19 N1 C21 -0.5(4) . . . . ?
C22 C19 N1 C21 178.4(3) . . . . ?
N2 C19 N1 Cd1 171.2(2) . . . . ?
C22 C19 N1 Cd1 -9.9(5) . . . . ?
C20 C21 N1 C19 0.5(4) . . . . ?
C20 C21 N1 Cd1 -171.7(2) . . . . ?
N3 Cd1 N1 C19 50.5(3) . . . . ?
O3 Cd1 N1 C19 162.5(3) . . . . ?
O1 Cd1 N1 C19 -49.7(3) . . . . ?
O2 Cd1 N1 C19 -67.1(4) . . . . ?
O4 Cd1 N1 C19 -146.1(3) . . . . ?
C18 Cd1 N1 C19 -172.2(3) . . . . ?
C9 Cd1 N1 C19 -56.9(3) . . . . ?
N3 Cd1 N1 C21 -139.3(2) . . . . ?
O3 Cd1 N1 C21 -27.3(3) . . . . ?
O1 Cd1 N1 C21 120.5(2) . . . . ?
O2 Cd1 N1 C21 103.1(3) . . . . ?
O4 Cd1 N1 C21 24.0(2) . . . . ?
C18 Cd1 N1 C21 -2.0(2) . . . . ?
C9 Cd1 N1 C21 113.3(2) . . . . ?
N1 C19 N2 C20 0.3(4) . . . . ?
C22 C19 N2 C20 -178.6(3) . . . . ?
C21 C20 N2 C19 0.0(4) . . . . ?
N4 C23 N3 C24 0.0(3) . . . . ?
C26 C23 N3 C24 -179.8(3) . . . . ?
N4 C23 N3 Cd1 -179.21(19) . . . . ?
C26 C23 N3 Cd1 0.9(5) . . . . ?
C25 C24 N3 C23 0.1(4) . . . . ?
C25 C24 N3 Cd1 179.4(2) . . . . ?
N1 Cd1 N3 C23 71.0(3) . . . . ?
O3 Cd1 N3 C23 -36.5(3) . . . . ?
O1 Cd1 N3 C23 177.6(3) . . . . ?
O2 Cd1 N3 C23 -128.6(3) . . . . ?
O4 Cd1 N3 C23 -34.0(4) . . . . ?
C18 Cd1 N3 C23 -32.9(3) . . . . ?
C9 Cd1 N3 C23 -155.1(3) . . . . ?
N1 Cd1 N3 C24 -108.1(2) . . . . ?
O3 Cd1 N3 C24 144.4(2) . . . . ?
O1 Cd1 N3 C24 -1.6(2) . . . . ?
O2 Cd1 N3 C24 52.3(2) . . . . ?
O4 Cd1 N3 C24 146.8(3) . . . . ?
C18 Cd1 N3 C24 148.0(2) . . . . ?
C9 Cd1 N3 C24 25.8(2) . . . . ?
N3 C23 N4 C25 -0.1(4) . . . . ?
C26 C23 N4 C25 179.7(3) . . . . ?
C24 C25 N4 C23 0.2(4) . . . . ?
O2 C9 O1 Cd1 -7.3(3) . . . . ?
C8 C9 O1 Cd1 171.8(3) . . . . ?
N3 Cd1 O1 C9 88.3(2) . . . . ?
N1 Cd1 O1 C9 -168.11(19) . . . . ?
O3 Cd1 O1 C9 -39.2(2) . . . . ?
O2 Cd1 O1 C9 3.88(18) . . . . ?
O4 Cd1 O1 C9 -82.7(2) . . . . ?
C18 Cd1 O1 C9 -67.3(2) . . . . ?
O1 C9 O2 Cd1 6.9(3) . . . . ?
C8 C9 O2 Cd1 -172.2(3) . . . . ?
N3 Cd1 O2 C9 -102.7(2) . . . . ?
N1 Cd1 O2 C9 16.9(3) . . . . ?
O3 Cd1 O2 C9 148.9(2) . . . . ?
O1 Cd1 O2 C9 -3.89(18) . . . . ?
O4 Cd1 O2 C9 94.4(2) . . . . ?
C18 Cd1 O2 C9 121.5(2) . . . . ?
O4 C18 O3 Cd1 8.7(3) . . . . ?
C17 C18 O3 Cd1 -167.5(2) . . . . ?
N3 Cd1 O3 C18 174.63(16) . . . . ?
N1 Cd1 O3 C18 68.04(18) . . . . ?
O1 Cd1 O3 C18 -61.5(2) . . . . ?
O2 Cd1 O3 C18 -95.19(18) . . . . ?
O4 Cd1 O3 C18 -4.49(15) . . . . ?
C9 Cd1 O3 C18 -80.12(19) . . . . ?
O3 C18 O4 Cd1 -7.8(3) . . . . ?
C17 C18 O4 Cd1 168.2(3) . . . . ?
N3 Cd1 O4 C18 1.7(3) . . . . ?
N1 Cd1 O4 C18 -105.95(17) . . . . ?
O3 Cd1 O4 C18 4.54(16) . . . . ?
O1 Cd1 O4 C18 150.04(16) . . . . ?
O2 Cd1 O4 C18 95.89(17) . . . . ?
C9 Cd1 O4 C18 123.00(18) . . . . ?
