#------------------------------------------------------------------------------
#$Date: 2021-11-06 22:30:02 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270474 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/09/7060961.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_7060961
loop_
_publ_author_name
'Zhang, Feng-Feng'
'Han, You'
'Liang, Qian'
'Wu, Man'
'Wang, Xiao'
'Tang, Long'
'Yue, Er-Lin'
'Wang, Ji-Jiang'
'Fu, Feng'
'Hou, Xiang-Yang'
_publ_section_title
;
 Visible light-assisted photocatalytic degradation of methylene blue in
 water by highly chemically stable Cd-coordination polymers at room
 temperature
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19660
_journal_page_last               19665
_journal_paper_doi               10.1039/D1NJ03958J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C53 H40 Cd2 N9 O10'
_chemical_formula_weight         1187.74
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-08-16 deposited with the CCDC.	2021-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                74.0580(10)
_cell_angle_beta                 89.7320(10)
_cell_angle_gamma                81.7880(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1834(6)
_cell_length_b                   10.3982(7)
_cell_length_c                   14.0203(10)
_cell_measurement_reflns_used    5236
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.41
_cell_volume                     1134.63(14)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.791
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0077
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.791
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7582
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.969
_diffrn_reflns_theta_min         2.888
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Face indexing'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             597
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0769
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5463
_reflns_number_total             5711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj03958j2.cif
_cod_data_source_block           h1_pl
_cod_depositor_comments          'Adding full bibliography for 7060961.cif.'
_cod_database_code               7060961
_shelx_shelxl_version_number     2018/3
_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   0.783
_shelx_estimated_absorpt_t_max   0.928
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.99338(2) 1.34874(2) -0.09687(2) 0.02175(6) Uani 1 1 d . . . . .
N1 N 1.0383(3) 1.0505(3) 0.4748(2) 0.0150(3) Uiso 0.5 1 d . . P A -1
C27 C 1.0004(4) 0.9424(4) 0.5273(3) 0.0150(3) Uiso 0.5 1 d . . P A -1
N2 N 0.77389(19) 1.29820(15) -0.00365(11) 0.0266(3) Uani 1 1 d . . . . .
N3 N 0.64187(19) 1.18957(15) 0.12270(11) 0.0297(3) Uani 1 1 d . . . . .
N4 N 0.40086(19) 0.48324(16) 0.71900(11) 0.0300(3) Uani 1 1 d . . . . .
N5 N 0.2396(2) 0.38392(17) 0.83380(12) 0.0320(3) Uani 1 1 d . . . . .
O1 O 1.12957(18) 1.34513(13) 0.04941(9) 0.0328(3) Uani 1 1 d . . . . .
O2 O 1.10673(17) 1.43226(12) 0.17871(9) 0.0316(3) Uani 1 1 d . . . . .
O3 O 1.09340(18) 0.72988(13) 0.23887(10) 0.0345(3) Uani 1 1 d . . . . .
O4 O 0.97787(18) 0.87784(13) 0.10271(9) 0.0320(3) Uani 1 1 d . . . . .
O5 O 1.0493(7) 0.5108(6) 0.4028(4) 0.0902(15) Uiso 0.5 1 d . . P . .
O5A O 0.9729(12) 0.5987(10) 0.4242(8) 0.171(4) Uiso 0.5 1 d . . P . .
C1 C 1.1091(2) 1.33613(16) 0.13920(11) 0.0231(3) Uani 1 1 d . . . . .
C2 C 1.0875(2) 1.19943(15) 0.20819(11) 0.0221(3) Uani 1 1 d . . . . .
C3 C 1.0811(2) 1.08936(15) 0.17034(11) 0.0233(3) Uani 1 1 d . . . . .
H3 H 1.093863 1.099313 0.102867 0.028 Uiso 1 1 calc R U . . .
C4 C 1.0557(2) 0.96406(15) 0.23299(11) 0.0228(3) Uani 1 1 d . . . . .
C5 C 1.0377(2) 0.94806(16) 0.33319(12) 0.0246(3) Uani 1 1 d . . . . .
H5 H 1.022621 0.864436 0.374973 0.030 Uiso 1 1 calc R U . . .
C6 C 1.0423(2) 1.05809(16) 0.37175(11) 0.0245(3) Uani 1 1 d . . . . .
C7 C 1.0668(2) 1.18296(16) 0.30950(11) 0.0245(3) Uani 1 1 d . . . . .
H7 H 1.069278 1.255833 0.335571 0.029 Uiso 1 1 calc R U . . .
C8 C 1.0411(2) 0.84905(16) 0.18850(12) 0.0242(3) Uani 1 1 d . . . . .
C9 C 0.6820(2) 1.39079(18) 0.03642(14) 0.0316(4) Uani 1 1 d . . . . .
H9 H 0.677452 1.484122 0.013546 0.038 Uiso 1 1 calc R U . . .
C10 C 0.5996(3) 1.32519(19) 0.11406(15) 0.0365(4) Uani 1 1 d . . . . .
H10 H 0.528429 1.363974 0.153765 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7471(2) 1.17709(17) 0.05043(13) 0.0266(3) Uani 1 1 d . . . . .
H11 H 0.794052 1.095429 0.039973 0.032 Uiso 1 1 calc R U . . .
C12 C 0.6045(2) 1.08358(18) 0.20558(14) 0.0307(4) Uani 1 1 d . . . . .
C13 C 0.6408(3) 1.0920(2) 0.29957(15) 0.0383(4) Uani 1 1 d . . . . .
H13 H 0.685258 1.165999 0.307581 0.046 Uiso 1 1 calc R U . . .
C14 C 0.6108(3) 0.9893(2) 0.38232(16) 0.0404(5) Uani 1 1 d . . . . .
H14 H 0.635650 0.994637 0.445643 0.048 Uiso 1 1 calc R U . . .
C15 C 0.5435(3) 0.8785(2) 0.37065(14) 0.0336(4) Uani 1 1 d . . . . .
C16 C 0.5053(3) 0.8744(2) 0.27555(16) 0.0512(6) Uani 1 1 d . . . . .
H16 H 0.457611 0.802200 0.266873 0.061 Uiso 1 1 calc R U . . .
C17 C 0.5366(4) 0.9758(2) 0.19305(16) 0.0515(6) Uani 1 1 d . . . . .
H17 H 0.511816 0.970796 0.129614 0.062 Uiso 1 1 calc R U . . .
C18 C 0.5125(2) 0.7686(2) 0.45896(14) 0.0329(4) Uani 1 1 d . . . . .
C19 C 0.6189(3) 0.7298(2) 0.54164(16) 0.0418(5) Uani 1 1 d . . . . .
H19 H 0.714583 0.768990 0.539820 0.050 Uiso 1 1 calc R U . . .
C20 C 0.5857(2) 0.6335(2) 0.62734(14) 0.0379(4) Uani 1 1 d . . . . .
H20 H 0.657400 0.609628 0.682684 0.046 Uiso 1 1 calc R U . . .
C21 C 0.4454(2) 0.5740(2) 0.62927(14) 0.0307(4) Uani 1 1 d . . . . .
C22 C 0.3407(3) 0.6064(2) 0.54575(15) 0.0386(4) Uani 1 1 d . . . . .
H22 H 0.248342 0.563429 0.546497 0.046 Uiso 1 1 calc R U . . .
C23 C 0.3752(3) 0.7030(2) 0.46145(15) 0.0385(4) Uani 1 1 d . . . . .
H23 H 0.305351 0.724604 0.405430 0.046 Uiso 1 1 calc R U . . .
C24 C 0.5024(2) 0.4057(2) 0.79838(14) 0.0318(4) Uani 1 1 d . . . . .
H24 H 0.617056 0.396510 0.802976 0.038 Uiso 1 1 calc R U . . .
C25 C 0.4017(2) 0.34554(19) 0.86819(13) 0.0316(4) Uani 1 1 d . . . . .
H25 H 0.436594 0.287179 0.930011 0.038 Uiso 1 1 calc R U . . .
C26 C 0.2434(2) 0.4668(2) 0.74445(14) 0.0356(4) Uani 1 1 d . . . . .
H26 H 0.150342 0.508622 0.703952 0.043 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
_geom_angle_publ_flag
N2 Cd1 N5 170.28(6) . 1_664 ?
N2 Cd1 O2 98.49(5) . 2_785 ?
N5 Cd1 O2 88.01(6) 1_664 2_785 ?
N2 Cd1 O1 86.68(5) . . ?
N5 Cd1 O1 84.39(5) 1_664 . ?
O2 Cd1 O1 108.70(5) 2_785 . ?
N2 Cd1 O4 84.99(5) . 2_775 ?
N5 Cd1 O4 93.81(6) 1_664 2_775 ?
O2 Cd1 O4 145.20(4) 2_785 2_775 ?
O1 Cd1 O4 106.06(5) . 2_775 ?
N2 Cd1 O3 96.41(5) . 2_775 ?
N5 Cd1 O3 90.65(5) 1_664 2_775 ?
O2 Cd1 O3 91.08(4) 2_785 2_775 ?
O1 Cd1 O3 159.36(5) . 2_775 ?
O4 Cd1 O3 54.18(4) 2_775 2_775 ?
N2 Cd1 C8 90.80(5) . 2_775 ?
N5 Cd1 C8 92.47(6) 1_664 2_775 ?
O2 Cd1 C8 118.28(5) 2_785 2_775 ?
O1 Cd1 C8 132.78(5) . 2_775 ?
O4 Cd1 C8 26.96(5) 2_775 2_775 ?
O3 Cd1 C8 27.22(5) 2_775 2_775 ?
C27 N1 C6 113.53(19) . . ?
C11 N2 C9 106.32(15) . . ?
C11 N2 Cd1 127.41(12) . . ?
C9 N2 Cd1 121.98(12) . . ?
C11 N3 C10 107.77(15) . . ?
C11 N3 C12 126.82(15) . . ?
C10 N3 C12 124.39(15) . . ?
C26 N4 C24 106.90(15) . . ?
C26 N4 C21 124.58(16) . . ?
C24 N4 C21 128.33(16) . . ?
C26 N5 C25 106.07(15) . . ?
C26 N5 Cd1 119.73(13) . 1_446 ?
C25 N5 Cd1 133.90(12) . 1_446 ?
C1 O1 Cd1 143.08(12) . . ?
C1 O2 Cd1 122.70(10) . 2_785 ?
C8 O3 Cd1 88.02(10) . 2_775 ?
C8 O4 Cd1 94.40(10) . 2_775 ?
O1 C1 O2 125.30(15) . . ?
O1 C1 C2 118.31(14) . . ?
O2 C1 C2 116.38(13) . . ?
C3 C2 C7 118.91(14) . . ?
C3 C2 C1 120.24(13) . . ?
C7 C2 C1 120.80(13) . . ?
C2 C3 C4 120.61(14) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.14(14) . . ?
C5 C4 C8 120.74(14) . . ?
C3 C4 C8 119.07(14) . . ?
C4 C5 C6 119.73(15) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 120.22(14) . . ?
C7 C6 N1 115.14(17) . . ?
C5 C6 N1 124.40(18) . . ?
C6 C7 C2 120.39(14) . . ?
C6 C7 H7 119.8 . . ?
C2 C7 H7 119.8 . . ?
O4 C8 O3 123.40(15) . . ?
O4 C8 C4 117.83(14) . . ?
O3 C8 C4 118.77(15) . . ?
O4 C8 Cd1 58.64(8) . 2_775 ?
O3 C8 Cd1 64.76(9) . 2_775 ?
C4 C8 Cd1 176.46(11) . 2_775 ?
C10 C9 N2 109.48(16) . . ?
C10 C9 H9 125.3 . . ?
N2 C9 H9 125.3 . . ?
C9 C10 N3 106.26(16) . . ?
C9 C10 H10 126.9 . . ?
N3 C10 H10 126.9 . . ?
N2 C11 N3 110.17(15) . . ?
N2 C11 H11 124.9 . . ?
N3 C11 H11 124.9 . . ?
C17 C12 C13 120.54(17) . . ?
C17 C12 N3 121.64(18) . . ?
C13 C12 N3 117.82(17) . . ?
C12 C13 C14 119.79(19) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 120.28(19) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 118.54(18) . . ?
C16 C15 C18 121.23(19) . . ?
C14 C15 C18 120.23(19) . . ?
C15 C16 C17 121.3(2) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C12 C17 C16 119.5(2) . . ?
C12 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C19 C18 C23 118.22(18) . . ?
C19 C18 C15 120.69(18) . . ?
C23 C18 C15 121.09(18) . . ?
C18 C19 C20 121.37(19) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C21 C20 C19 119.21(18) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 120.53(17) . . ?
C20 C21 N4 120.35(17) . . ?
C22 C21 N4 119.04(17) . . ?
C23 C22 C21 119.38(18) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C18 121.17(19) . . ?
C22 C23 H23 119.4 . . ?
C18 C23 H23 119.4 . . ?
C25 C24 N4 106.20(16) . . ?
C25 C24 H24 126.9 . . ?
N4 C24 H24 126.9 . . ?
C24 C25 N5 109.71(16) . . ?
C24 C25 H25 125.1 . . ?
N5 C25 H25 125.1 . . ?
N5 C26 N4 111.11(17) . . ?
N5 C26 H26 124.4 . . ?
N4 C26 H26 124.4 . . ?
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 N2 2.2541(15) . ?
Cd1 N5 2.2661(16) 1_664 ?
Cd1 O2 2.2834(12) 2_785 ?
Cd1 O1 2.3273(12) . ?
Cd1 O4 2.3580(12) 2_775 ?
Cd1 O3 2.4918(13) 2_775 ?
Cd1 C8 2.7533(15) 2_775 ?
N1 C27 1.243(3) . ?
N1 C6 1.425(3) . ?
N2 C11 1.327(2) . ?
N2 C9 1.376(2) . ?
N3 C11 1.348(2) . ?
N3 C10 1.375(2) . ?
N3 C12 1.431(2) . ?
N4 C26 1.358(2) . ?
N4 C24 1.380(2) . ?
N4 C21 1.431(2) . ?
N5 C26 1.314(2) . ?
N5 C25 1.379(2) . ?
O1 C1 1.2488(19) . ?
O2 C1 1.2669(19) . ?
O3 C8 1.260(2) . ?
O4 C8 1.252(2) . ?
O5 O5A 1.141(10) . ?
C1 C2 1.517(2) . ?
C2 C3 1.395(2) . ?
C2 C7 1.396(2) . ?
C3 C4 1.400(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(2) . ?
C4 C8 1.512(2) . ?
C5 C6 1.398(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.392(2) . ?
C7 H7 0.9300 . ?
C9 C10 1.350(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C17 1.372(3) . ?
C12 C13 1.381(3) . ?
C13 C14 1.392(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.393(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.384(3) . ?
C15 C18 1.485(2) . ?
C16 C17 1.385(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.385(3) . ?
C18 C23 1.390(3) . ?
C19 C20 1.391(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.377(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(3) . ?
C22 C23 1.383(3) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.353(3) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cd1 O1 C1 O2 -107.5(2) . . . . ?
Cd1 O1 C1 C2 73.5(2) . . . . ?
Cd1 O2 C1 O1 33.1(2) 2_785 . . . ?
Cd1 O2 C1 C2 -147.86(11) 2_785 . . . ?
O1 C1 C2 C3 -3.8(2) . . . . ?
O2 C1 C2 C3 177.12(15) . . . . ?
O1 C1 C2 C7 179.01(16) . . . . ?
O2 C1 C2 C7 -0.1(2) . . . . ?
C7 C2 C3 C4 -0.5(2) . . . . ?
C1 C2 C3 C4 -177.84(15) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C2 C3 C4 C8 177.00(15) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
C8 C4 C5 C6 -176.33(16) . . . . ?
C4 C5 C6 C7 -0.7(3) . . . . ?
C4 C5 C6 N1 -174.77(19) . . . . ?
C27 N1 C6 C7 173.4(2) . . . . ?
C27 N1 C6 C5 -12.3(3) . . . . ?
C5 C6 C7 C2 -0.2(3) . . . . ?
N1 C6 C7 C2 174.34(18) . . . . ?
C3 C2 C7 C6 0.9(3) . . . . ?
C1 C2 C7 C6 178.14(16) . . . . ?
Cd1 O4 C8 O3 0.18(18) 2_775 . . . ?
Cd1 O4 C8 C4 179.78(13) 2_775 . . . ?
Cd1 O3 C8 O4 -0.17(17) 2_775 . . . ?
Cd1 O3 C8 C4 -179.77(14) 2_775 . . . ?
C5 C4 C8 O4 145.26(17) . . . . ?
C3 C4 C8 O4 -32.1(2) . . . . ?
C5 C4 C8 O3 -35.1(2) . . . . ?
C3 C4 C8 O3 147.49(16) . . . . ?
C11 N2 C9 C10 -0.3(2) . . . . ?
Cd1 N2 C9 C10 -158.64(14) . . . . ?
N2 C9 C10 N3 0.4(2) . . . . ?
C11 N3 C10 C9 -0.3(2) . . . . ?
C12 N3 C10 C9 168.78(18) . . . . ?
C9 N2 C11 N3 0.2(2) . . . . ?
Cd1 N2 C11 N3 156.89(12) . . . . ?
C10 N3 C11 N2 0.1(2) . . . . ?
C12 N3 C11 N2 -168.64(17) . . . . ?
C11 N3 C12 C17 -60.6(3) . . . . ?
C10 N3 C12 C17 132.5(2) . . . . ?
C11 N3 C12 C13 118.7(2) . . . . ?
C10 N3 C12 C13 -48.3(3) . . . . ?
C17 C12 C13 C14 1.0(3) . . . . ?
N3 C12 C13 C14 -178.26(19) . . . . ?
C12 C13 C14 C15 -0.3(3) . . . . ?
C13 C14 C15 C16 -1.0(3) . . . . ?
C13 C14 C15 C18 179.6(2) . . . . ?
C14 C15 C16 C17 1.7(4) . . . . ?
C18 C15 C16 C17 -178.9(2) . . . . ?
C13 C12 C17 C16 -0.3(4) . . . . ?
N3 C12 C17 C16 178.9(2) . . . . ?
C15 C16 C17 C12 -1.0(4) . . . . ?
C16 C15 C18 C19 145.0(2) . . . . ?
C14 C15 C18 C19 -35.7(3) . . . . ?
C16 C15 C18 C23 -35.8(3) . . . . ?
C14 C15 C18 C23 143.5(2) . . . . ?
C23 C18 C19 C20 -3.6(3) . . . . ?
C15 C18 C19 C20 175.6(2) . . . . ?
C18 C19 C20 C21 1.1(4) . . . . ?
C19 C20 C21 C22 2.0(3) . . . . ?
C19 C20 C21 N4 -174.7(2) . . . . ?
C26 N4 C21 C20 148.9(2) . . . . ?
C24 N4 C21 C20 -25.3(3) . . . . ?
C26 N4 C21 C22 -27.8(3) . . . . ?
C24 N4 C21 C22 157.9(2) . . . . ?
C20 C21 C22 C23 -2.5(3) . . . . ?
N4 C21 C22 C23 174.3(2) . . . . ?
C21 C22 C23 C18 -0.2(4) . . . . ?
C19 C18 C23 C22 3.2(3) . . . . ?
C15 C18 C23 C22 -176.1(2) . . . . ?
C26 N4 C24 C25 0.1(2) . . . . ?
C21 N4 C24 C25 175.19(19) . . . . ?
N4 C24 C25 N5 0.1(2) . . . . ?
C26 N5 C25 C24 -0.3(2) . . . . ?
Cd1 N5 C25 C24 -173.80(14) 1_446 . . . ?
C25 N5 C26 N4 0.4(2) . . . . ?
Cd1 N5 C26 N4 174.99(13) 1_446 . . . ?
C24 N4 C26 N5 -0.3(2) . . . . ?
C21 N4 C26 N5 -175.64(18) . . . . ?
