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#$Date: 2021-05-21 10:38:35 +0300 (Fri, 21 May 2021) $
#$Revision: 265406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/27/1562766.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_1562766
loop_
_publ_author_name
'Li, Na'
'Guo, Hui-Lin'
'Hu, Huai-Ming'
'Song, Juan'
'Xu, Bing'
'Yang, Meng-Lin'
'Dong, Fa-Xin'
'Xue, Gang-Lin'
_publ_section_title
;
 Hydrothermal syntheses, crystal structures and luminescence properties of
 zinc(II) and cadmium(II) coordination polymers based on bifunctional
 3,2′:6′,3′′-terpyridine-4′-carboxylic
 acid
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              416
_journal_page_last               423
_journal_paper_doi               10.1016/j.jssc.2012.10.028
_journal_volume                  198
_journal_year                    2013
_chemical_formula_sum            'C32 H22 Cd N6 O5'
_chemical_formula_weight         682.96
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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                 113.086(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.893(2)
_cell_length_b                   10.0024(13)
_cell_length_c                   16.358(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2843.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15467
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  0.8729
_exptl_absorpt_correction_T_min  0.7966
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         5779
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0459
_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)+(0.0325P)²+0.2321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                3638
_reflns_number_total             5779
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-198-416.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1562766
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 0.232078(17) 0.54981(3) 0.32376(2) 0.03930(12) Uani 1 1 d U . .
N1 N -0.2159(2) 0.1554(4) 0.0594(2) 0.0432(9) Uani 1 1 d . . .
N2 N -0.13010(19) 0.5592(4) -0.0265(2) 0.0405(9) Uani 1 1 d . . .
N3 N -0.2114(3) 0.9242(5) -0.1611(3) 0.0746(14) Uani 1 1 d . . .
N4 N 0.73533(19) 0.6591(4) 0.6056(2) 0.0436(9) Uani 1 1 d . . .
N5 N 0.55008(19) 0.9753(3) 0.4237(2) 0.0375(9) Uani 1 1 d . . .
N6 N 0.3896(2) 1.3319(4) 0.2553(3) 0.0581(11) Uani 1 1 d . . .
O2 O 0.12250(16) 0.6642(4) 0.22013(19) 0.0563(9) Uani 1 1 d U . .
O3 O 0.29632(17) 0.7428(3) 0.3093(2) 0.0575(9) Uani 1 1 d . . .
O4 O 0.37119(17) 0.5960(3) 0.4034(2) 0.0555(9) Uani 1 1 d . . .
C1 C -0.1694(2) 0.2614(4) 0.0741(3) 0.0432(11) Uani 1 1 d . . .
H1 H -0.1400 0.2848 0.1327 0.052 Uiso 1 1 calc R . .
C2 C -0.1623(2) 0.3382(4) 0.0075(3) 0.0377(10) Uani 1 1 d . . .
C3 C -0.2065(3) 0.3022(5) -0.0790(3) 0.0507(13) Uani 1 1 d . . .
H3 H -0.2030 0.3500 -0.1261 0.061 Uiso 1 1 calc R . .
C4 C -0.2558(3) 0.1947(5) -0.0951(3) 0.0588(14) Uani 1 1 d . . .
H4 H -0.2869 0.1704 -0.1530 0.071 Uiso 1 1 calc R . .
C5 C -0.2584(3) 0.1243(5) -0.0246(3) 0.0516(13) Uani 1 1 d . . .
H5 H -0.2915 0.0515 -0.0361 0.062 Uiso 1 1 calc R . .
C6 C -0.1098(2) 0.4546(4) 0.0302(3) 0.0376(10) Uani 1 1 d . . .
C7 C -0.0427(2) 0.4555(4) 0.1069(3) 0.0409(11) Uani 1 1 d . . .
H7 H -0.0301 0.3819 0.1447 0.049 Uiso 1 1 calc R . .
C8 C 0.0049(2) 0.5647(4) 0.1268(3) 0.0400(11) Uani 1 1 d . . .
C9 C -0.0160(2) 0.6725(5) 0.0697(3) 0.0457(12) Uani 1 1 d . . .
H9 H 0.0152 0.7480 0.0818 0.055 Uiso 1 1 calc R . .
C10 C -0.0839(2) 0.6676(4) -0.0061(3) 0.0407(11) Uani 1 1 d . . .
C11 C -0.1846(3) 0.8206(5) -0.1057(3) 0.0566(14) Uani 1 1 d . . .
H11 H -0.2198 0.7708 -0.0916 0.068 Uiso 1 1 calc R . .
C12 C -0.1081(3) 0.7825(4) -0.0679(3) 0.0463(12) Uani 1 1 d . . .
C13 C -0.0558(3) 0.8574(5) -0.0882(3) 0.0616(14) Uani 1 1 d . . .
H13 H -0.0037 0.8360 -0.0640 0.074 Uiso 1 1 calc R . .
C14 C -0.0827(4) 0.9663(6) -0.1459(4) 0.0722(17) Uani 1 1 d . . .
H14 H -0.0490 1.0189 -0.1608 0.087 Uiso 1 1 calc R . .
C15 C -0.1592(4) 0.9935(6) -0.1797(4) 0.0787(19) Uani 1 1 d . . .
H15 H -0.1765 1.0655 -0.2185 0.094 Uiso 1 1 calc R . .
C17 C 0.6644(2) 0.6903(4) 0.5489(3) 0.0438(11) Uani 1 1 d . . .
H17 H 0.6279 0.6224 0.5299 0.053 Uiso 1 1 calc R . .
C18 C 0.6420(2) 0.8180(4) 0.5169(3) 0.0369(10) Uani 1 1 d . . .
C19 C 0.6974(3) 0.9176(5) 0.5460(3) 0.0496(13) Uani 1 1 d . . .
H19 H 0.6853 1.0050 0.5260 0.060 Uiso 1 1 calc R . .
C20 C 0.7704(2) 0.8857(5) 0.6049(3) 0.0516(13) Uani 1 1 d . . .
H20 H 0.8080 0.9515 0.6254 0.062 Uiso 1 1 calc R . .
C21 C 0.7872(2) 0.7566(5) 0.6332(3) 0.0471(12) Uani 1 1 d . . .
H21 H 0.8367 0.7362 0.6732 0.057 Uiso 1 1 calc R . .
C22 C 0.5613(2) 0.8510(4) 0.4568(3) 0.0366(10) Uani 1 1 d . . .
C23 C 0.5015(2) 0.7609(4) 0.4375(3) 0.0414(11) Uani 1 1 d . . .
H23 H 0.5110 0.6748 0.4607 0.050 Uiso 1 1 calc R . .
C24 C 0.4276(2) 0.7987(4) 0.3838(3) 0.0380(10) Uani 1 1 d . . .
C25 C 0.4162(2) 0.9271(4) 0.3496(3) 0.0395(11) Uani 1 1 d . . .
H25 H 0.3672 0.9554 0.3125 0.047 Uiso 1 1 calc R . .
C26 C 0.4781(2) 1.0131(4) 0.3708(3) 0.0369(10) Uani 1 1 d . . .
C27 C 0.4003(3) 1.2054(5) 0.2825(3) 0.0534(13) Uani 1 1 d . . .
H27 H 0.3582 1.1482 0.2621 0.064 Uiso 1 1 calc R . .
C28 C 0.4705(2) 1.1537(5) 0.3392(3) 0.0397(11) Uani 1 1 d . . .
C29 C 0.5317(3) 1.2396(5) 0.3653(3) 0.0607(15) Uani 1 1 d . . .
H29 H 0.5803 1.2094 0.4024 0.073 Uiso 1 1 calc R . .
C30 C 0.5217(3) 1.3705(5) 0.3370(3) 0.0679(16) Uani 1 1 d . . .
H30 H 0.5631 1.4293 0.3545 0.081 Uiso 1 1 calc R . .
C31 C 0.4502(3) 1.4119(5) 0.2830(3) 0.0602(14) Uani 1 1 d . . .
H31 H 0.4435 1.5006 0.2645 0.072 Uiso 1 1 calc R . .
C32 C 0.3603(3) 0.7062(5) 0.3635(3) 0.0436(11) Uani 1 1 d . . .
O5 O 0.2494(2) 0.4477(4) 0.2085(2) 0.0689(11) Uani 1 1 d D . .
H5A H 0.214(2) 0.444(5) 0.1573(18) 0.083 Uiso 1 1 d D . .
H5B H 0.2910(19) 0.412(5) 0.211(3) 0.083 Uiso 1 1 d D . .
C16 C 0.0808(2) 0.5650(5) 0.2059(3) 0.0486(12) Uani 1 1 d . . .
O1 O 0.0977(2) 0.4630(4) 0.2537(2) 0.0708(10) Uani 1 1 d 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'
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
O5 Cd1 N1 179.17(14) . 2
O5 Cd1 O3 92.16(14) . .
N1 Cd1 O3 87.05(12) 2 .
O5 Cd1 N4 85.03(13) . 3_666
N1 Cd1 N4 95.39(13) 2 3_666
O3 Cd1 N4 137.44(11) . 3_666
O5 Cd1 O2 89.62(11) . .
N1 Cd1 O2 90.53(12) 2 .
O3 Cd1 O2 82.70(11) . .
N4 Cd1 O2 139.57(12) 3_666 .
O5 Cd1 O4 92.94(12) . .
N1 Cd1 O4 86.39(12) 2 .
O3 Cd1 O4 54.13(10) . .
N4 Cd1 O4 83.56(11) 3_666 .
O2 Cd1 O4 136.81(11) . .
O5 Cd1 O1 85.10(13) . .
N1 Cd1 O1 95.64(12) 2 .
O3 Cd1 O1 135.62(11) . .
N4 Cd1 O1 86.54(12) 3_666 .
O2 Cd1 O1 53.05(12) . .
O4 Cd1 O1 170.04(11) . .
C5 N1 C1 117.4(4) . .
C5 N1 Cd1 121.8(3) . 2_545
C1 N1 Cd1 120.3(3) . 2_545
C10 N2 C6 118.1(3) . .
C15 N3 C11 116.1(5) . .
C21 N4 C17 118.0(4) . .
C21 N4 Cd1 118.0(3) . 3_666
C17 N4 Cd1 123.2(3) . 3_666
C22 N5 C26 118.6(4) . .
C31 N6 C27 117.6(4) . .
C16 O2 Cd1 93.5(3) . .
C32 O3 Cd1 94.8(3) . .
C32 O4 Cd1 88.1(3) . .
N1 C1 C2 123.9(4) . .
N1 C1 H1 118.0 . .
C2 C1 H1 118.0 . .
C3 C2 C1 117.2(4) . .
C3 C2 C6 122.7(4) . .
C1 C2 C6 120.1(4) . .
C2 C3 C4 119.4(4) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 C3 119.1(4) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
N1 C5 C4 123.0(4) . .
N1 C5 H5 118.5 . .
C4 C5 H5 118.5 . .
N2 C6 C7 121.8(4) . .
N2 C6 C2 117.0(3) . .
C7 C6 C2 121.1(4) . .
C8 C7 C6 120.1(4) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C7 C8 C9 118.4(4) . .
C7 C8 C16 121.3(4) . .
C9 C8 C16 120.2(4) . .
C8 C9 C10 119.6(4) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
N2 C10 C9 122.0(4) . .
N2 C10 C12 117.3(4) . .
C9 C10 C12 120.7(4) . .
N3 C11 C12 124.6(5) . .
N3 C11 H11 117.7 . .
C12 C11 H11 117.7 . .
C13 C12 C11 117.6(4) . .
C13 C12 C10 121.9(4) . .
C11 C12 C10 120.5(4) . .
C12 C13 C14 118.7(5) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
C15 C14 C13 118.5(6) . .
C15 C14 H14 120.7 . .
C13 C14 H14 120.7 . .
N3 C15 C14 124.6(5) . .
N3 C15 H15 117.7 . .
C14 C15 H15 117.7 . .
N4 C17 C18 123.7(4) . .
N4 C17 H17 118.2 . .
C18 C17 H17 118.2 . .
C17 C18 C19 117.1(4) . .
C17 C18 C22 122.4(4) . .
C19 C18 C22 120.4(4) . .
C20 C19 C18 119.3(4) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C21 C20 C19 119.5(4) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
N4 C21 C20 122.4(4) . .
N4 C21 H21 118.8 . .
C20 C21 H21 118.8 . .
N5 C22 C23 121.8(4) . .
N5 C22 C18 115.5(4) . .
C23 C22 C18 122.7(4) . .
C24 C23 C22 120.0(4) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C25 118.0(4) . .
C23 C24 C32 122.0(4) . .
C25 C24 C32 120.0(4) . .
C26 C25 C24 119.6(4) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
N5 C26 C25 121.9(4) . .
N5 C26 C28 115.0(4) . .
C25 C26 C28 123.1(4) . .
N6 C27 C28 124.0(5) . .
N6 C27 H27 118.0 . .
C28 C27 H27 118.0 . .
C29 C28 C27 116.4(4) . .
C29 C28 C26 122.2(4) . .
C27 C28 C26 121.5(4) . .
C28 C29 C30 120.3(5) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C31 C30 C29 118.6(5) . .
C31 C30 H30 120.7 . .
C29 C30 H30 120.7 . .
N6 C31 C30 123.0(5) . .
N6 C31 H31 118.5 . .
C30 C31 H31 118.5 . .
O3 C32 O4 123.0(4) . .
O3 C32 C24 118.6(4) . .
O4 C32 C24 118.3(4) . .
Cd1 O5 H5A 122(4) . .
Cd1 O5 H5B 125(4) . .
H5A O5 H5B 113(5) . .
O2 C16 O1 123.6(4) . .
O2 C16 C8 119.1(4) . .
O1 C16 C8 117.3(4) . .
C16 O1 Cd1 88.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O5 2.278(4) .
Cd1 N1 2.307(4) 2
Cd1 O3 2.341(3) .
Cd1 N4 2.350(4) 3_666
Cd1 O2 2.391(3) .
Cd1 O4 2.476(3) .
Cd1 O1 2.497(4) .
N1 C5 1.328(5) .
N1 C1 1.337(5) .
N1 Cd1 2.307(4) 2_545
N2 C10 1.349(5) .
N2 C6 1.351(5) .
N3 C15 1.333(7) .
N3 C11 1.338(6) .
N4 C21 1.330(5) .
N4 C17 1.334(5) .
N4 Cd1 2.350(4) 3_666
N5 C22 1.340(5) .
N5 C26 1.348(5) .
N6 C31 1.322(6) .
N6 C27 1.329(6) .
O2 C16 1.231(5) .
O3 C32 1.242(5) .
O4 C32 1.256(5) .
C1 C2 1.383(6) .
C1 H1 0.9300 .
C2 C3 1.379(5) .
C2 C6 1.479(6) .
C3 C4 1.380(6) .
C3 H3 0.9300 .
C4 C5 1.367(6) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.389(5) .
C7 C8 1.371(6) .
C7 H7 0.9300 .
C8 C9 1.378(6) .
C8 C16 1.509(6) .
C9 C10 1.393(5) .
C9 H9 0.9300 .
C10 C12 1.480(6) .
C11 C12 1.384(6) .
C11 H11 0.9300 .
C12 C13 1.381(6) .
C13 C14 1.400(7) .
C13 H13 0.9300 .
C14 C15 1.357(8) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C17 C18 1.382(6) .
C17 H17 0.9300 .
C18 C19 1.387(6) .
C18 C22 1.490(5) .
C19 C20 1.375(6) .
C19 H19 0.9300 .
C20 C21 1.367(6) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.382(5) .
C23 C24 1.379(5) .
C23 H23 0.9300 .
C24 C25 1.384(6) .
C24 C32 1.500(6) .
C25 C26 1.381(6) .
C25 H25 0.9300 .
C26 C28 1.486(6) .
C27 C28 1.387(5) .
C27 H27 0.9300 .
C28 C29 1.367(6) .
C29 C30 1.377(7) .
C29 H29 0.9300 .
C30 C31 1.357(7) .
C30 H30 0.9300 .
C31 H31 0.9300 .
O5 H5A 0.841(19) .
O5 H5B 0.849(19) .
C16 O1 1.248(5) .
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
O5 Cd1 O2 C16 76.8(3) . . . .
N1 Cd1 O2 C16 -104.0(3) 2 . . .
O3 Cd1 O2 C16 169.0(3) . . . .
N4 Cd1 O2 C16 -5.0(4) 3_666 . . .
O4 Cd1 O2 C16 170.7(3) . . . .
O1 Cd1 O2 C16 -7.3(3) . . . .
O5 Cd1 O3 C32 -92.3(3) . . . .
N1 Cd1 O3 C32 87.5(3) 2 . . .
N4 Cd1 O3 C32 -7.3(4) 3_666 . . .
O2 Cd1 O3 C32 178.4(3) . . . .
O4 Cd1 O3 C32 -0.2(3) . . . .
O1 Cd1 O3 C32 -177.4(3) . . . .
O5 Cd1 O4 C32 90.7(3) . . . .
N1 Cd1 O4 C32 -88.8(3) 2 . . .
O3 Cd1 O4 C32 0.2(3) . . . .
N4 Cd1 O4 C32 175.4(3) 3_666 . . .
O2 Cd1 O4 C32 -1.9(3) . . . .
O1 Cd1 O4 C32 169.1(6) . . . .
C5 N1 C1 C2 -1.1(6) . . . .
Cd1 N1 C1 C2 -173.3(3) 2_545 . . .
N1 C1 C2 C3 0.2(7) . . . .
N1 C1 C2 C6 179.5(4) . . . .
C1 C2 C3 C4 1.1(6) . . . .
C6 C2 C3 C4 -178.1(4) . . . .
C2 C3 C4 C5 -1.5(7) . . . .
C1 N1 C5 C4 0.6(7) . . . .
Cd1 N1 C5 C4 172.8(4) 2_545 . . .
C3 C4 C5 N1 0.6(8) . . . .
C10 N2 C6 C7 -1.3(6) . . . .
C10 N2 C6 C2 178.5(4) . . . .
C3 C2 C6 N2 31.0(6) . . . .
C1 C2 C6 N2 -148.2(4) . . . .
C3 C2 C6 C7 -149.2(4) . . . .
C1 C2 C6 C7 31.6(6) . . . .
N2 C6 C7 C8 0.1(7) . . . .
C2 C6 C7 C8 -179.6(4) . . . .
C6 C7 C8 C9 0.6(7) . . . .
C6 C7 C8 C16 -175.6(4) . . . .
C7 C8 C9 C10 -0.2(7) . . . .
C16 C8 C9 C10 176.0(4) . . . .
C6 N2 C10 C9 1.7(6) . . . .
C6 N2 C10 C12 -178.6(4) . . . .
C8 C9 C10 N2 -0.9(7) . . . .
C8 C9 C10 C12 179.3(4) . . . .
C15 N3 C11 C12 -0.1(8) . . . .
N3 C11 C12 C13 0.7(8) . . . .
N3 C11 C12 C10 178.9(5) . . . .
N2 C10 C12 C13 -141.3(5) . . . .
C9 C10 C12 C13 38.5(7) . . . .
N2 C10 C12 C11 40.5(6) . . . .
C9 C10 C12 C11 -139.7(5) . . . .
C11 C12 C13 C14 -0.5(7) . . . .
C10 C12 C13 C14 -178.7(5) . . . .
C12 C13 C14 C15 -0.1(8) . . . .
C11 N3 C15 C14 -0.6(9) . . . .
C13 C14 C15 N3 0.7(9) . . . .
C21 N4 C17 C18 0.5(7) . . . .
Cd1 N4 C17 C18 170.4(3) 3_666 . . .
N4 C17 C18 C19 0.1(7) . . . .
N4 C17 C18 C22 -177.1(4) . . . .
C17 C18 C19 C20 -0.6(7) . . . .
C22 C18 C19 C20 176.7(4) . . . .
C18 C19 C20 C21 0.4(8) . . . .
C17 N4 C21 C20 -0.6(7) . . . .
Cd1 N4 C21 C20 -171.1(4) 3_666 . . .
C19 C20 C21 N4 0.2(8) . . . .
C26 N5 C22 C23 0.7(6) . . . .
C26 N5 C22 C18 -178.1(4) . . . .
C17 C18 C22 N5 -173.2(4) . . . .
C19 C18 C22 N5 9.7(6) . . . .
C17 C18 C22 C23 8.0(7) . . . .
C19 C18 C22 C23 -169.1(4) . . . .
N5 C22 C23 C24 -0.9(7) . . . .
C18 C22 C23 C24 177.8(4) . . . .
C22 C23 C24 C25 1.0(6) . . . .
C22 C23 C24 C32 -177.8(4) . . . .
C23 C24 C25 C26 -0.9(6) . . . .
C32 C24 C25 C26 178.0(4) . . . .
C22 N5 C26 C25 -0.6(6) . . . .
C22 N5 C26 C28 178.3(4) . . . .
C24 C25 C26 N5 0.7(7) . . . .
C24 C25 C26 C28 -178.1(4) . . . .
C31 N6 C27 C28 1.5(8) . . . .
N6 C27 C28 C29 -2.1(7) . . . .
N6 C27 C28 C26 176.9(5) . . . .
N5 C26 C28 C29 -2.9(6) . . . .
C25 C26 C28 C29 176.0(4) . . . .
N5 C26 C28 C27 178.2(4) . . . .
C25 C26 C28 C27 -3.0(7) . . . .
C27 C28 C29 C30 1.3(8) . . . .
C26 C28 C29 C30 -177.7(5) . . . .
C28 C29 C30 C31 0.0(9) . . . .
C27 N6 C31 C30 0.0(8) . . . .
C29 C30 C31 N6 -0.7(9) . . . .
Cd1 O3 C32 O4 0.3(5) . . . .
Cd1 O3 C32 C24 -178.4(3) . . . .
Cd1 O4 C32 O3 -0.3(5) . . . .
Cd1 O4 C32 C24 178.4(4) . . . .
C23 C24 C32 O3 -174.6(4) . . . .
C25 C24 C32 O3 6.6(7) . . . .
C23 C24 C32 O4 6.7(7) . . . .
C25 C24 C32 O4 -172.1(4) . . . .
Cd1 O2 C16 O1 14.2(5) . . . .
Cd1 O2 C16 C8 -165.8(4) . . . .
C7 C8 C16 O2 178.3(4) . . . .
C9 C8 C16 O2 2.2(7) . . . .
C7 C8 C16 O1 -1.7(7) . . . .
C9 C8 C16 O1 -177.8(4) . . . .
O2 C16 O1 Cd1 -13.5(5) . . . .
C8 C16 O1 Cd1 166.4(4) . . . .
O5 Cd1 O1 C16 -86.0(3) . . . .
N1 Cd1 O1 C16 93.6(3) 2 . . .
O3 Cd1 O1 C16 2.1(4) . . . .
N4 Cd1 O1 C16 -171.3(3) 3_666 . . .
O2 Cd1 O1 C16 7.2(3) . . . .
O4 Cd1 O1 C16 -165.0(6) . . . .
