#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:29:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180013 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/07/7030781.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_7030781
loop_
_publ_author_name
'Hu, Tong-Liang'
'Zou, Ruo-Qiang'
'Li, Jian-Rong'
'Bu, Xian-He'
_publ_section_title
;
 d(10) Metal complexes assembled from isomeric benzenedicarboxylates and
 3-(2-pyridyl)pyrazole showing 1D chain structures: syntheses, structures
 and luminescent properties.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1302
_journal_page_last               1311
_journal_paper_doi               10.1039/b716398c
_journal_year                    2008
_chemical_formula_sum            'C24 H18 Cd2 N6 O5'
_chemical_formula_weight         695.24
_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                73.43(3)
_cell_angle_beta                 88.27(3)
_cell_angle_gamma                86.16(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8800(18)
_cell_length_b                   11.713(2)
_cell_length_c                   12.083(2)
_cell_measurement_reflns_used    11185
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     1201.8(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detecter'
_diffrn_measurement_method       'φ and ω 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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10475
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.819
_exptl_absorpt_correction_T_max  0.7849
_exptl_absorpt_correction_T_min  0.6904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0303
_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)+(0.0210P)²+0.3600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                3545
_reflns_number_total             4220
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b716398c.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7030781
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
Cd1 Cd -0.07812(3) 0.51595(2) 0.75424(2) 0.03144(9) Uani 1 1 d .
Cd2 Cd 0.03480(3) 0.82915(2) 0.52721(2) 0.02831(9) Uani 1 1 d .
C1 C -0.3705(5) 0.3925(4) 0.9017(4) 0.0462(11) Uani 1 1 d .
H1 H -0.2979 0.3333 0.9368 0.055 Uiso 1 1 calc R
C2 C -0.5186(5) 0.3750(4) 0.9329(4) 0.0514(12) Uani 1 1 d .
H2 H -0.5455 0.3067 0.9891 0.062 Uiso 1 1 calc R
C3 C -0.6262(5) 0.4606(4) 0.8794(4) 0.0513(12) Uani 1 1 d .
H3 H -0.7277 0.4503 0.8979 0.062 Uiso 1 1 calc R
C4 C -0.5826(4) 0.5629(4) 0.7971(4) 0.0430(10) Uani 1 1 d .
H4 H -0.6543 0.6219 0.7601 0.052 Uiso 1 1 calc R
C5 C -0.4307(4) 0.5756(3) 0.7714(3) 0.0318(9) Uani 1 1 d .
C6 C -0.3748(4) 0.6808(3) 0.6835(3) 0.0296(8) Uani 1 1 d .
C7 C -0.4511(4) 0.7793(3) 0.6104(3) 0.0401(10) Uani 1 1 d .
H7 H -0.5545 0.7984 0.6074 0.048 Uiso 1 1 calc R
C8 C -0.3402(4) 0.8424(3) 0.5434(3) 0.0378(10) Uani 1 1 d .
H8 H -0.3569 0.9137 0.4856 0.045 Uiso 1 1 calc R
C9 C 0.2943(5) 0.9412(4) 0.3273(3) 0.0408(10) Uani 1 1 d .
H9 H 0.2434 1.0138 0.3250 0.049 Uiso 1 1 calc R
C10 C 0.4223(5) 0.9418(4) 0.2599(3) 0.0468(11) Uani 1 1 d .
H10 H 0.4591 1.0132 0.2155 0.056 Uiso 1 1 calc R
C11 C 0.4944(5) 0.8337(4) 0.2601(3) 0.0496(11) Uani 1 1 d .
H11 H 0.5799 0.8312 0.2142 0.059 Uiso 1 1 calc R
C12 C 0.4387(4) 0.7289(4) 0.3291(3) 0.0417(10) Uani 1 1 d .
H12 H 0.4860 0.6555 0.3293 0.050 Uiso 1 1 calc R
C13 C 0.3109(4) 0.7340(3) 0.3984(3) 0.0331(9) Uani 1 1 d .
C14 C 0.2502(4) 0.6281(3) 0.4778(3) 0.0317(9) Uani 1 1 d .
C15 C 0.2893(4) 0.5063(3) 0.4988(3) 0.0361(9) Uani 1 1 d .
H15 H 0.3644 0.4706 0.4622 0.043 Uiso 1 1 calc R
C16 C 0.1920(4) 0.4508(3) 0.5854(3) 0.0374(10) Uani 1 1 d .
H16 H 0.1906 0.3686 0.6176 0.045 Uiso 1 1 calc R
C17 C 0.0361(5) 1.2673(4) 0.8754(5) 0.0530(13) Uani 1 1 d .
C18 C 0.1033(4) 1.1431(3) 0.8830(3) 0.0356(10) Uani 1 1 d .
C19 C 0.1855(5) 1.0782(4) 0.9780(3) 0.0508(12) Uani 1 1 d .
H19 H 0.1998 1.1105 1.0386 0.061 Uiso 1 1 calc R
C20 C 0.2468(5) 0.9644(4) 0.9828(4) 0.0557(13) Uani 1 1 d .
H20 H 0.3027 0.9212 1.0467 0.067 Uiso 1 1 calc R
C21 C 0.2260(4) 0.9148(3) 0.8947(3) 0.0395(10) Uani 1 1 d .
H21 H 0.2671 0.8385 0.8993 0.047 Uiso 1 1 calc R
C22 C 0.1429(4) 0.9792(3) 0.7981(3) 0.0269(8) Uani 1 1 d .
C23 C 0.1176(4) 0.9240(3) 0.7037(3) 0.0270(8) Uani 1 1 d .
C24 C 0.0830(4) 1.0930(3) 0.7936(3) 0.0293(8) Uani 1 1 d .
H24 H 0.0280 1.1366 0.7293 0.035 Uiso 1 1 calc R
H1WA H 0.062(5) 0.670(4) 0.825(4) 0.054(16) Uiso 1 1 d .
H1WB H -0.006(6) 0.620(5) 0.930(5) 0.10(2) Uiso 1 1 d .
N1 N -0.3245(3) 0.4903(3) 0.8234(3) 0.0361(8) Uani 1 1 d .
N2 N -0.2249(3) 0.6857(3) 0.6614(3) 0.0310(7) Uani 1 1 d .
N3 N -0.2033(3) 0.7864(3) 0.5733(3) 0.0329(7) Uani 1 1 d .
N4 N 0.2392(3) 0.8404(3) 0.3963(3) 0.0330(7) Uani 1 1 d .
N5 N 0.1358(3) 0.6422(3) 0.5499(3) 0.0324(7) Uani 1 1 d .
N6 N 0.0995(3) 0.5320(3) 0.6167(3) 0.0339(7) Uani 1 1 d .
O1 O -0.0461(4) 1.3161(3) 0.7884(3) 0.0705(11) Uani 1 1 d .
O2 O 0.0641(4) 1.3154(3) 0.9499(4) 0.0931(14) Uani 1 1 d .
O3 O 0.0632(3) 0.9882(2) 0.6085(2) 0.0383(7) Uani 1 1 d .
O4 O 0.1471(3) 0.8145(2) 0.7184(2) 0.0434(7) Uani 1 1 d .
O1W O 0.0370(4) 0.6096(3) 0.8698(3) 0.0434(7) 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
N6 Cd1 O1 87.54(12) . 1_545
N6 Cd1 O1W 98.96(12) . .
O1 Cd1 O1W 120.24(14) 1_545 .
N6 Cd1 N2 96.82(11) . .
O1 Cd1 N2 144.99(13) 1_545 .
O1W Cd1 N2 93.48(11) . .
N6 Cd1 N1 152.78(11) . .
O1 Cd1 N1 88.39(12) 1_545 .
O1W Cd1 N1 106.31(12) . .
N2 Cd1 N1 72.04(11) . .
N3 Cd2 N5 98.67(11) . .
N3 Cd2 N4 148.89(11) . .
N5 Cd2 N4 72.28(11) . .
N3 Cd2 O3 101.99(11) . .
N5 Cd2 O3 137.60(10) . .
N4 Cd2 O3 104.33(10) . .
N3 Cd2 O3 87.40(10) . 2_576
N5 Cd2 O3 145.90(9) . 2_576
N4 Cd2 O3 85.23(10) . 2_576
O3 Cd2 O3 72.01(9) . 2_576
N3 Cd2 O4 102.82(10) . .
N5 Cd2 O4 86.33(10) . .
N4 Cd2 O4 106.11(10) . .
O3 Cd2 O4 53.20(8) . .
O3 Cd2 O4 125.21(8) 2_576 .
N1 C1 C2 123.5(4) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C3 C2 C1 118.4(4) . .
C3 C2 H2 120.8 . .
C1 C2 H2 120.8 . .
C2 C3 C4 119.6(4) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 118.9(4) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 121.6(3) . .
N1 C5 C6 116.1(3) . .
C4 C5 C6 122.3(3) . .
N2 C6 C7 109.7(3) . .
N2 C6 C5 118.9(3) . .
C7 C6 C5 131.3(3) . .
C8 C7 C6 104.6(3) . .
C8 C7 H7 127.7 . .
C6 C7 H7 127.7 . .
N3 C8 C7 110.4(3) . .
N3 C8 H8 124.8 . .
C7 C8 H8 124.8 . .
N4 C9 C10 123.2(4) . .
N4 C9 H9 118.4 . .
C10 C9 H9 118.4 . .
C9 C10 C11 118.3(4) . .
C9 C10 H10 120.9 . .
C11 C10 H10 120.9 . .
C10 C11 C12 119.5(4) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C11 C12 C13 119.6(4) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
N4 C13 C12 120.5(4) . .
N4 C13 C14 116.6(3) . .
C12 C13 C14 122.9(4) . .
N5 C14 C15 108.8(3) . .
N5 C14 C13 118.9(3) . .
C15 C14 C13 132.3(3) . .
C16 C15 C14 104.8(3) . .
C16 C15 H15 127.6 . .
C14 C15 H15 127.6 . .
N6 C16 C15 110.4(3) . .
N6 C16 H16 124.8 . .
C15 C16 H16 124.8 . .
O2 C17 O1 124.1(5) . .
O2 C17 C18 120.1(5) . .
O1 C17 C18 115.8(4) . .
C19 C18 C24 119.1(4) . .
C19 C18 C17 120.8(4) . .
C24 C18 C17 120.1(4) . .
C18 C19 C20 119.8(4) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C21 C20 C19 121.0(4) . .
C21 C20 H20 119.5 . .
C19 C20 H20 119.5 . .
C20 C21 C22 119.9(4) . .
C20 C21 H21 120.1 . .
C22 C21 H21 120.1 . .
C24 C22 C21 118.8(3) . .
C24 C22 C23 121.5(3) . .
C21 C22 C23 119.7(3) . .
O4 C23 O3 119.8(3) . .
O4 C23 C22 120.5(3) . .
O3 C23 C22 119.6(3) . .
C22 C24 C18 121.4(3) . .
C22 C24 H24 119.3 . .
C18 C24 H24 119.3 . .
C1 N1 C5 118.0(3) . .
C1 N1 Cd1 124.8(3) . .
C5 N1 Cd1 116.8(2) . .
C6 N2 N3 107.7(3) . .
C6 N2 Cd1 115.6(2) . .
N3 N2 Cd1 135.7(2) . .
C8 N3 N2 107.5(3) . .
C8 N3 Cd2 135.7(3) . .
N2 N3 Cd2 116.5(2) . .
C9 N4 C13 118.8(3) . .
C9 N4 Cd2 126.2(3) . .
C13 N4 Cd2 114.8(2) . .
C14 N5 N6 108.5(3) . .
C14 N5 Cd2 117.2(2) . .
N6 N5 Cd2 134.0(2) . .
C16 N6 N5 107.5(3) . .
C16 N6 Cd1 132.5(3) . .
N5 N6 Cd1 120.0(2) . .
C17 O1 Cd1 112.6(3) . 1_565
C23 O3 Cd2 96.2(2) . .
C23 O3 Cd2 155.7(2) . 2_576
Cd2 O3 Cd2 107.99(9) . 2_576
C23 O4 Cd2 90.5(2) . .
Cd1 O1W H1WA 104(3) . .
Cd1 O1W H1WB 121(4) . .
H1WA O1W H1WB 113(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N6 2.233(3) .
Cd1 O1 2.258(3) 1_545
Cd1 O1W 2.304(3) .
Cd1 N2 2.319(3) .
Cd1 N1 2.325(3) .
Cd2 N3 2.223(3) .
Cd2 N5 2.255(3) .
Cd2 N4 2.357(3) .
Cd2 O3 2.371(2) .
Cd2 O3 2.421(3) 2_576
Cd2 O4 2.500(3) .
C1 N1 1.341(5) .
C1 C2 1.370(5) .
C1 H1 0.9300 .
C2 C3 1.369(6) .
C2 H2 0.9300 .
C3 C4 1.390(5) .
C3 H3 0.9300 .
C4 C5 1.383(5) .
C4 H4 0.9300 .
C5 N1 1.354(5) .
C5 C6 1.483(5) .
C6 N2 1.352(4) .
C6 C7 1.386(5) .
C7 C8 1.370(5) .
C7 H7 0.9300 .
C8 N3 1.350(4) .
C8 H8 0.9300 .
C9 N4 1.348(5) .
C9 C10 1.377(5) .
C9 H9 0.9300 .
C10 C11 1.380(6) .
C10 H10 0.9300 .
C11 C12 1.385(6) .
C11 H11 0.9300 .
C12 C13 1.398(5) .
C12 H12 0.9300 .
C13 N4 1.355(4) .
C13 C14 1.459(5) .
C14 N5 1.350(4) .
C14 C15 1.398(5) .
C15 C16 1.377(5) .
C15 H15 0.9300 .
C16 N6 1.344(4) .
C16 H16 0.9300 .
C17 O2 1.229(6) .
C17 O1 1.270(6) .
C17 C18 1.515(6) .
C18 C19 1.381(6) .
C18 C24 1.390(5) .
C19 C20 1.392(6) .
C19 H19 0.9300 .
C20 C21 1.372(5) .
C20 H20 0.9300 .
C21 C22 1.397(5) .
C21 H21 0.9300 .
C22 C24 1.388(5) .
C22 C23 1.492(5) .
C23 O4 1.254(4) .
C23 O3 1.270(4) .
C24 H24 0.9300 .
N2 N3 1.364(4) .
N5 N6 1.366(4) .
O1 Cd1 2.258(3) 1_565
O3 Cd2 2.421(3) 2_576
O1W H1WA 0.80(4) .
O1W H1WB 0.85(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_4
N1 C1 C2 C3 1.7(7) . .
C1 C2 C3 C4 -1.2(7) . .
C2 C3 C4 C5 0.1(6) . .
C3 C4 C5 N1 0.6(6) . .
C3 C4 C5 C6 178.9(4) . .
N1 C5 C6 N2 -0.3(5) . .
C4 C5 C6 N2 -178.7(3) . .
N1 C5 C6 C7 175.9(4) . .
C4 C5 C6 C7 -2.5(6) . .
N2 C6 C7 C8 0.5(4) . .
C5 C6 C7 C8 -176.0(4) . .
C6 C7 C8 N3 -0.1(4) . .
N4 C9 C10 C11 2.4(6) . .
C9 C10 C11 C12 -1.4(6) . .
C10 C11 C12 C13 -0.5(6) . .
C11 C12 C13 N4 1.6(6) . .
C11 C12 C13 C14 -176.7(4) . .
N4 C13 C14 N5 -5.0(5) . .
C12 C13 C14 N5 173.3(3) . .
N4 C13 C14 C15 176.5(4) . .
C12 C13 C14 C15 -5.1(6) . .
N5 C14 C15 C16 0.4(4) . .
C13 C14 C15 C16 179.0(4) . .
C14 C15 C16 N6 -0.3(4) . .
O2 C17 C18 C19 5.7(6) . .
O1 C17 C18 C19 -175.3(4) . .
O2 C17 C18 C24 -174.2(4) . .
O1 C17 C18 C24 4.8(6) . .
C24 C18 C19 C20 0.2(6) . .
C17 C18 C19 C20 -179.7(4) . .
C18 C19 C20 C21 -0.5(7) . .
C19 C20 C21 C22 0.4(7) . .
C20 C21 C22 C24 0.1(6) . .
C20 C21 C22 C23 -178.6(4) . .
C24 C22 C23 O4 -166.4(3) . .
C21 C22 C23 O4 12.3(5) . .
C24 C22 C23 O3 12.3(5) . .
C21 C22 C23 O3 -169.0(3) . .
C21 C22 C24 C18 -0.4(5) . .
C23 C22 C24 C18 178.3(3) . .
C19 C18 C24 C22 0.3(6) . .
C17 C18 C24 C22 -179.9(3) . .
C2 C1 N1 C5 -0.9(6) . .
C2 C1 N1 Cd1 -173.6(3) . .
C4 C5 N1 C1 -0.2(5) . .
C6 C5 N1 C1 -178.6(3) . .
C4 C5 N1 Cd1 173.0(3) . .
C6 C5 N1 Cd1 -5.4(4) . .
N6 Cd1 N1 C1 109.8(4) . .
O1 Cd1 N1 C1 28.4(3) 1_545 .
O1W Cd1 N1 C1 -92.7(3) . .
N2 Cd1 N1 C1 178.9(3) . .
N6 Cd1 N1 C5 -62.9(4) . .
O1 Cd1 N1 C5 -144.4(3) 1_545 .
O1W Cd1 N1 C5 94.5(3) . .
N2 Cd1 N1 C5 6.1(2) . .
C7 C6 N2 N3 -0.7(4) . .
C5 C6 N2 N3 176.3(3) . .
C7 C6 N2 Cd1 -171.1(2) . .
C5 C6 N2 Cd1 5.8(4) . .
N6 Cd1 N2 C6 148.3(2) . .
O1 Cd1 N2 C6 52.9(3) 1_545 .
O1W Cd1 N2 C6 -112.2(3) . .
N1 Cd1 N2 C6 -6.2(2) . .
N6 Cd1 N2 N3 -18.6(3) . .
O1 Cd1 N2 N3 -114.0(3) 1_545 .
O1W Cd1 N2 N3 80.9(3) . .
N1 Cd1 N2 N3 -173.1(3) . .
C7 C8 N3 N2 -0.3(4) . .
C7 C8 N3 Cd2 -172.5(3) . .
C6 N2 N3 C8 0.6(4) . .
Cd1 N2 N3 C8 168.2(3) . .
C6 N2 N3 Cd2 174.5(2) . .
Cd1 N2 N3 Cd2 -17.9(4) . .
N5 Cd2 N3 C8 -150.1(4) . .
N4 Cd2 N3 C8 -80.1(4) . .
O3 Cd2 N3 C8 67.2(4) . .
O3 Cd2 N3 C8 -3.8(4) 2_576 .
O4 Cd2 N3 C8 121.8(4) . .
N5 Cd2 N3 N2 38.3(2) . .
N4 Cd2 N3 N2 108.3(3) . .
O3 Cd2 N3 N2 -104.4(2) . .
O3 Cd2 N3 N2 -175.4(2) 2_576 .
O4 Cd2 N3 N2 -49.9(2) . .
C10 C9 N4 C13 -1.3(6) . .
C10 C9 N4 Cd2 174.2(3) . .
C12 C13 N4 C9 -0.7(5) . .
C14 C13 N4 C9 177.7(3) . .
C12 C13 N4 Cd2 -176.8(3) . .
C14 C13 N4 Cd2 1.6(4) . .
N3 Cd2 N4 C9 108.1(3) . .
N5 Cd2 N4 C9 -174.8(3) . .
O3 Cd2 N4 C9 -38.9(3) . .
O3 Cd2 N4 C9 31.2(3) 2_576 .
O4 Cd2 N4 C9 -94.1(3) . .
N3 Cd2 N4 C13 -76.2(3) . .
N5 Cd2 N4 C13 0.9(2) . .
O3 Cd2 N4 C13 136.8(2) . .
O3 Cd2 N4 C13 -153.1(2) 2_576 .
O4 Cd2 N4 C13 81.6(2) . .
C15 C14 N5 N6 -0.3(4) . .
C13 C14 N5 N6 -179.1(3) . .
C15 C14 N5 Cd2 -175.3(2) . .
C13 C14 N5 Cd2 5.9(4) . .
N3 Cd2 N5 C14 145.8(3) . .
N4 Cd2 N5 C14 -3.6(2) . .
O3 Cd2 N5 C14 -95.6(3) . .
O3 Cd2 N5 C14 47.5(3) 2_576 .
O4 Cd2 N5 C14 -111.8(3) . .
N3 Cd2 N5 N6 -27.6(3) . .
N4 Cd2 N5 N6 -177.0(3) . .
O3 Cd2 N5 N6 91.0(3) . .
O3 Cd2 N5 N6 -125.8(3) 2_576 .
O4 Cd2 N5 N6 74.8(3) . .
C15 C16 N6 N5 0.2(4) . .
C15 C16 N6 Cd1 -176.3(3) . .
C14 N5 N6 C16 0.1(4) . .
Cd2 N5 N6 C16 173.9(3) . .
C14 N5 N6 Cd1 177.1(2) . .
Cd2 N5 N6 Cd1 -9.2(4) . .
O1 Cd1 N6 C16 -7.1(3) 1_545 .
O1W Cd1 N6 C16 113.2(3) . .
N2 Cd1 N6 C16 -152.2(3) . .
N1 Cd1 N6 C16 -88.7(4) . .
O1 Cd1 N6 N5 176.8(3) 1_545 .
O1W Cd1 N6 N5 -62.9(3) . .
N2 Cd1 N6 N5 31.7(3) . .
N1 Cd1 N6 N5 95.2(3) . .
O2 C17 O1 Cd1 17.3(6) . 1_565
C18 C17 O1 Cd1 -161.6(2) . 1_565
O4 C23 O3 Cd2 5.5(4) . .
C22 C23 O3 Cd2 -173.3(3) . .
O4 C23 O3 Cd2 179.5(4) . 2_576
C22 C23 O3 Cd2 0.7(8) . 2_576
N3 Cd2 O3 C23 94.2(2) . .
N5 Cd2 O3 C23 -23.3(3) . .
N4 Cd2 O3 C23 -102.6(2) . .
O3 Cd2 O3 C23 177.4(3) 2_576 .
O4 Cd2 O3 C23 -3.0(2) . .
N3 Cd2 O3 Cd2 -83.24(12) . 2_576
N5 Cd2 O3 Cd2 159.30(12) . 2_576
N4 Cd2 O3 Cd2 80.03(12) . 2_576
O3 Cd2 O3 Cd2 0.0 2_576 2_576
O4 Cd2 O3 Cd2 179.62(16) . 2_576
O3 C23 O4 Cd2 -5.2(3) . .
C22 C23 O4 Cd2 173.6(3) . .
N3 Cd2 O4 C23 -92.5(2) . .
N5 Cd2 O4 C23 169.4(2) . .
N4 Cd2 O4 C23 99.1(2) . .
O3 Cd2 O4 C23 3.0(2) . .
O3 Cd2 O4 C23 3.5(2) 2_576 .
