#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:47:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180518 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/87/7218705.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_7218705
loop_
_publ_author_name
'Liu, Lei-Lei'
'Yu, Cai-Xia'
'Li, Ya-Ru'
'Han, Jing-Jing'
'Ma, Feng-Ji'
'Ma, Lu-Fang'
_publ_section_title
;
 Positional isomeric effect on the structural variation of Cd(ii)
 coordination polymers based on flexible linear/V-shaped bipyridyl benzene
 ligands
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              653
_journal_paper_doi               10.1039/C4CE01856G
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C25 H20 Cd Cl N3 O4'
_chemical_formula_sum            'C25 H20 Cd Cl N3 O4'
_chemical_formula_weight         574.29
_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                113.00(3)
_cell_angle_beta                 97.99(3)
_cell_angle_gamma                92.39(3)
_cell_formula_units_Z            2
_cell_length_a                   10.056(2)
_cell_length_b                   10.955(2)
_cell_length_c                   11.676(2)
_cell_measurement_reflns_used    4322
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.10
_cell_measurement_theta_min      2.57
_cell_volume                     1166.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT  A '
_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      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0303
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8053
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.089
_exptl_absorpt_correction_T_max  0.8117
_exptl_absorpt_correction_T_min  0.6699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0236
_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)+(0.0198P)²+0.3519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0531
_reflns_number_gt                3653
_reflns_number_total             4075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01856g2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7218705--7218709.cif.'
_cod_original_cell_volume        1165.9(4)
_cod_database_code               7218705
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 0.115687(18) 0.528317(16) 0.398408(15) 0.03462(7) Uani 1 1 d .
Cl1 Cl -0.10418(6) 0.37935(6) 0.35682(6) 0.04262(15) Uani 1 1 d .
C1 C 0.1369(2) 0.7676(2) 0.38436(19) 0.0291(5) Uani 1 1 d .
C2 C 0.1560(2) 0.8812(2) 0.34442(19) 0.0289(5) Uani 1 1 d .
C3 C 0.2523(2) 0.8771(2) 0.2689(2) 0.0359(5) Uani 1 1 d .
H3 H 0.3151 0.8153 0.2588 0.043 Uiso 1 1 calc R
C4 C 0.2567(3) 0.9632(2) 0.2084(2) 0.0439(6) Uani 1 1 d .
H4 H 0.3223 0.9589 0.1586 0.053 Uiso 1 1 calc R
C5 C 0.1648(3) 1.0547(2) 0.2215(2) 0.0442(6) Uani 1 1 d .
H5 H 0.1657 1.1100 0.1781 0.053 Uiso 1 1 calc R
C6 C 0.0709(3) 1.0643(2) 0.2998(2) 0.0382(6) Uani 1 1 d .
H6 H 0.0088 1.1268 0.3096 0.046 Uiso 1 1 calc R
C7 C 0.0689(2) 0.9813(2) 0.36363(19) 0.0296(5) Uani 1 1 d .
C8 C 0.0487(3) 0.3353(3) 0.0945(2) 0.0433(6) Uani 1 1 d .
H8 H -0.0093 0.2887 0.1223 0.052 Uiso 1 1 calc R
C9 C 0.0461(3) 0.2957(3) -0.0327(2) 0.0552(8) Uani 1 1 d .
H9 H -0.0120 0.2224 -0.0898 0.066 Uiso 1 1 calc R
C10 C 0.1299(3) 0.3650(3) -0.0755(2) 0.0490(7) Uani 1 1 d .
H10 H 0.1275 0.3400 -0.1617 0.059 Uiso 1 1 calc R
C11 C 0.2174(2) 0.4717(2) 0.0104(2) 0.0345(5) Uani 1 1 d .
C12 C 0.2152(3) 0.5032(2) 0.1371(2) 0.0372(6) Uani 1 1 d .
H12 H 0.2753 0.5736 0.1963 0.045 Uiso 1 1 calc R
C13 C 0.3080(3) 0.5520(3) -0.0311(2) 0.0420(6) Uani 1 1 d .
H13A H 0.3434 0.4943 -0.1044 0.050 Uiso 1 1 calc R
H13B H 0.2584 0.6160 -0.0532 0.050 Uiso 1 1 calc R
C14 C 0.4974(3) 0.7195(3) 0.0672(2) 0.0405(6) Uani 1 1 d .
C15 C 0.4985(3) 0.7500(3) -0.0369(3) 0.0568(8) Uani 1 1 d .
H15 H 0.4410 0.7001 -0.1124 0.068 Uiso 1 1 calc R
C16 C 0.5856(4) 0.8549(4) -0.0279(3) 0.0779(10) Uani 1 1 d .
H16 H 0.5865 0.8758 -0.0977 0.094 Uiso 1 1 calc R
C17 C 0.6703(4) 0.9285(4) 0.0817(4) 0.0779(10) Uani 1 1 d .
H17 H 0.7282 0.9993 0.0863 0.093 Uiso 1 1 calc R
C18 C 0.6712(3) 0.8984(3) 0.1871(3) 0.0578(8) Uani 1 1 d .
H18 H 0.7288 0.9493 0.2622 0.069 Uiso 1 1 calc R
C19 C 0.5863(2) 0.7931(3) 0.1790(2) 0.0411(6) Uani 1 1 d .
C20 C 0.6678(3) 0.8195(3) 0.3910(2) 0.0493(7) Uani 1 1 d .
H20A H 0.6494 0.9118 0.4286 0.059 Uiso 1 1 calc R
H20B H 0.7609 0.8174 0.3777 0.059 Uiso 1 1 calc R
C21 C 0.6438(2) 0.7503(2) 0.4755(2) 0.0401(6) Uani 1 1 d .
C22 C 0.5323(3) 0.7665(3) 0.5350(2) 0.0494(7) Uani 1 1 d .
H22 H 0.4691 0.8222 0.5238 0.059 Uiso 1 1 calc R
C23 C 0.5156(3) 0.6993(3) 0.6107(3) 0.0524(7) Uani 1 1 d .
H23 H 0.4406 0.7085 0.6508 0.063 Uiso 1 1 calc R
C24 C 0.6107(3) 0.6188(3) 0.6265(2) 0.0470(7) Uani 1 1 d .
H24 H 0.5992 0.5744 0.6786 0.056 Uiso 1 1 calc R
C25 C 0.7337(3) 0.6662(2) 0.4951(2) 0.0387(6) Uani 1 1 d .
H25 H 0.8083 0.6536 0.4543 0.046 Uiso 1 1 calc R
N1 N -0.02435(18) 1.00549(17) 0.45015(16) 0.0311(4) Uani 1 1 d .
N2 N 0.1318(2) 0.43832(19) 0.17922(18) 0.0368(5) Uani 1 1 d .
N3 N 0.7194(2) 0.60136(19) 0.56989(18) 0.0378(5) Uani 1 1 d .
O1 O 0.24044(16) 0.72109(16) 0.41691(15) 0.0386(4) Uani 1 1 d .
O2 O 0.01952(15) 0.71420(15) 0.37014(14) 0.0339(4) Uani 1 1 d .
O3 O 0.41527(17) 0.61938(17) 0.07137(14) 0.0428(4) Uani 1 1 d .
O4 O 0.57879(17) 0.75014(18) 0.27456(15) 0.0465(4) 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'
Cl Cl 0.1484 0.1585 '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
N3 Cd1 O1 103.01(7) 2_666 .
N3 Cd1 N2 88.93(7) 2_666 .
O1 Cd1 N2 87.51(7) . .
N3 Cd1 O2 158.32(6) 2_666 .
O1 Cd1 O2 55.42(6) . .
N2 Cd1 O2 88.02(7) . .
N3 Cd1 Cl1 103.21(5) 2_666 .
O1 Cd1 Cl1 153.76(5) . .
N2 Cd1 Cl1 91.69(6) . .
O2 Cd1 Cl1 98.33(4) . .
N3 Cd1 Cl1 88.70(6) 2_666 2_566
O1 Cd1 Cl1 93.46(5) . 2_566
N2 Cd1 Cl1 177.59(5) . 2_566
O2 Cd1 Cl1 94.35(5) . 2_566
Cl1 Cd1 Cl1 88.42(4) . 2_566
N3 Cd1 C1 130.55(7) 2_666 .
O1 Cd1 C1 27.76(6) . .
N2 Cd1 C1 85.55(7) . .
O2 Cd1 C1 27.79(6) . .
Cl1 Cd1 C1 126.02(6) . .
Cl1 Cd1 C1 96.33(5) 2_566 .
Cd1 Cl1 Cd1 91.58(4) . 2_566
O1 C1 O2 122.9(2) . .
O1 C1 C2 117.8(2) . .
O2 C1 C2 118.8(2) . .
O1 C1 Cd1 59.89(11) . .
O2 C1 Cd1 63.41(12) . .
C2 C1 Cd1 165.78(14) . .
C3 C2 C7 117.5(2) . .
C3 C2 C1 118.54(19) . .
C7 C2 C1 123.29(19) . .
C4 C3 C2 121.3(2) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 120.4(2) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 119.6(2) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C5 C6 C7 120.2(2) . .
C5 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C6 C7 C2 120.8(2) . .
C6 C7 N1 116.3(2) . .
C2 C7 N1 122.88(19) . .
N2 C8 C9 122.0(2) . .
N2 C8 H8 119.0 . .
C9 C8 H8 119.0 . .
C8 C9 C10 119.7(2) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C9 C10 C11 119.5(2) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
C10 C11 C12 117.0(2) . .
C10 C11 C13 121.6(2) . .
C12 C11 C13 121.4(2) . .
N2 C12 C11 123.8(2) . .
N2 C12 H12 118.1 . .
C11 C12 H12 118.1 . .
O3 C13 C11 107.38(19) . .
O3 C13 H13A 110.2 . .
C11 C13 H13A 110.2 . .
O3 C13 H13B 110.2 . .
C11 C13 H13B 110.2 . .
H13A C13 H13B 108.5 . .
O3 C14 C15 125.3(3) . .
O3 C14 C19 114.9(2) . .
C15 C14 C19 119.8(3) . .
C16 C15 C14 119.4(3) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C17 C16 C15 120.9(3) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C16 C17 C18 120.5(3) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C19 C18 C17 119.3(3) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 O4 125.5(3) . .
C18 C19 C14 120.2(2) . .
O4 C19 C14 114.3(2) . .
O4 C20 C21 106.9(2) . .
O4 C20 H20A 110.3 . .
C21 C20 H20A 110.3 . .
O4 C20 H20B 110.3 . .
C21 C20 H20B 110.3 . .
H20A C20 H20B 108.6 . .
C25 C21 C22 117.8(2) . .
C25 C21 C20 120.0(2) . .
C22 C21 C20 122.2(2) . .
C23 C22 C21 119.4(3) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
C24 C23 C22 119.2(2) . .
C24 C23 H23 120.4 . .
C22 C23 H23 120.4 . .
N3 C24 C23 122.6(2) . .
N3 C24 H24 118.7 . .
C23 C24 H24 118.7 . .
N3 C25 C21 123.5(2) . .
N3 C25 H25 118.3 . .
C21 C25 H25 118.3 . .
N1 N1 C7 112.5(2) 2_576 .
C8 N2 C12 118.0(2) . .
C8 N2 Cd1 122.33(16) . .
C12 N2 Cd1 119.12(15) . .
C24 N3 C25 117.6(2) . .
C24 N3 Cd1 122.80(17) . 2_666
C25 N3 Cd1 119.53(16) . 2_666
C1 O1 Cd1 92.35(13) . .
C1 O2 Cd1 88.81(13) . .
C14 O3 C13 118.89(19) . .
C19 O4 C20 117.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.311(2) 2_666
Cd1 O1 2.3296(18) .
Cd1 N2 2.388(2) .
Cd1 O2 2.4065(16) .
Cd1 Cl1 2.5628(11) .
Cd1 Cl1 2.6546(10) 2_566
Cd1 C1 2.691(2) .
Cl1 Cd1 2.6546(10) 2_566
C1 O1 1.254(3) .
C1 O2 1.255(3) .
C1 C2 1.504(3) .
C2 C3 1.388(3) .
C2 C7 1.401(3) .
C3 C4 1.384(3) .
C3 H3 0.9300 .
C4 C5 1.370(4) .
C4 H4 0.9300 .
C5 C6 1.383(3) .
C5 H5 0.9300 .
C6 C7 1.384(3) .
C6 H6 0.9300 .
C7 N1 1.430(3) .
C8 N2 1.330(3) .
C8 C9 1.371(4) .
C8 H8 0.9300 .
C9 C10 1.377(4) .
C9 H9 0.9300 .
C10 C11 1.378(4) .
C10 H10 0.9300 .
C11 C12 1.385(3) .
C11 C13 1.492(3) .
C12 N2 1.338(3) .
C12 H12 0.9300 .
C13 O3 1.423(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O3 1.365(3) .
C14 C15 1.382(3) .
C14 C19 1.395(4) .
C15 C16 1.377(4) .
C15 H15 0.9300 .
C16 C17 1.358(5) .
C16 H16 0.9300 .
C17 C18 1.391(4) .
C17 H17 0.9300 .
C18 C19 1.371(4) .
C18 H18 0.9300 .
C19 O4 1.379(3) .
C20 O4 1.423(3) .
C20 C21 1.497(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C25 1.377(3) .
C21 C22 1.381(4) .
C22 C23 1.375(4) .
C22 H22 0.9300 .
C23 C24 1.370(4) .
C23 H23 0.9300 .
C24 N3 1.337(3) .
C24 H24 0.9300 .
C25 N3 1.341(3) .
C25 H25 0.9300 .
N1 N1 1.251(4) 2_576
N3 Cd1 2.311(2) 2_666
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
C10 H10 O2 0.93 2.50 3.312(3) 145.6 2_565
C12 H12 O1 0.93 2.53 3.172(3) 126.2 .
C12 H12 O3 0.93 2.33 2.689(3) 102.3 .
C22 H22 O1 0.93 2.45 2.996(3) 117.9 .
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 Cd1 Cl1 Cd1 88.29(6) 2_666 2_566
O1 Cd1 Cl1 Cd1 -94.61(10) . 2_566
N2 Cd1 Cl1 Cd1 177.59(5) . 2_566
O2 Cd1 Cl1 Cd1 -94.17(5) . 2_566
Cl1 Cd1 Cl1 Cd1 0.0 2_566 2_566
C1 Cd1 Cl1 Cd1 -96.68(6) . 2_566
N3 Cd1 C1 O1 -8.33(15) 2_666 .
N2 Cd1 C1 O1 -93.10(13) . .
O2 Cd1 C1 O1 172.7(2) . .
Cl1 Cd1 C1 O1 178.04(10) . .
Cl1 Cd1 C1 O1 85.39(12) 2_566 .
N3 Cd1 C1 O2 178.95(11) 2_666 .
O1 Cd1 C1 O2 -172.7(2) . .
N2 Cd1 C1 O2 94.19(13) . .
Cl1 Cd1 C1 O2 5.33(14) . .
Cl1 Cd1 C1 O2 -87.33(12) 2_566 .
N3 Cd1 C1 C2 76.4(7) 2_666 .
O1 Cd1 C1 C2 84.8(7) . .
N2 Cd1 C1 C2 -8.3(7) . .
O2 Cd1 C1 C2 -102.5(7) . .
Cl1 Cd1 C1 C2 -97.2(7) . .
Cl1 Cd1 C1 C2 170.1(6) 2_566 .
O1 C1 C2 C3 41.3(3) . .
O2 C1 C2 C3 -130.7(2) . .
Cd1 C1 C2 C3 -35.6(8) . .
O1 C1 C2 C7 -148.3(2) . .
O2 C1 C2 C7 39.6(3) . .
Cd1 C1 C2 C7 134.7(6) . .
C7 C2 C3 C4 -4.0(3) . .
C1 C2 C3 C4 166.9(2) . .
C2 C3 C4 C5 -0.3(4) . .
C3 C4 C5 C6 2.6(4) . .
C4 C5 C6 C7 -0.5(4) . .
C5 C6 C7 C2 -3.9(4) . .
C5 C6 C7 N1 175.1(2) . .
C3 C2 C7 C6 6.0(3) . .
C1 C2 C7 C6 -164.4(2) . .
C3 C2 C7 N1 -172.9(2) . .
C1 C2 C7 N1 16.7(3) . .
N2 C8 C9 C10 -1.0(4) . .
C8 C9 C10 C11 1.3(4) . .
C9 C10 C11 C12 -0.1(4) . .
C9 C10 C11 C13 -178.5(2) . .
C10 C11 C12 N2 -1.5(4) . .
C13 C11 C12 N2 176.9(2) . .
C10 C11 C13 O3 -159.5(2) . .
C12 C11 C13 O3 22.2(3) . .
O3 C14 C15 C16 179.2(3) . .
C19 C14 C15 C16 -1.5(4) . .
C14 C15 C16 C17 0.1(5) . .
C15 C16 C17 C18 0.4(6) . .
C16 C17 C18 C19 0.5(5) . .
C17 C18 C19 O4 178.3(3) . .
C17 C18 C19 C14 -1.8(4) . .
O3 C14 C19 C18 -178.3(2) . .
C15 C14 C19 C18 2.3(4) . .
O3 C14 C19 O4 1.6(3) . .
C15 C14 C19 O4 -177.8(2) . .
O4 C20 C21 C25 102.9(3) . .
O4 C20 C21 C22 -76.4(3) . .
C25 C21 C22 C23 0.2(4) . .
C20 C21 C22 C23 179.6(2) . .
C21 C22 C23 C24 0.6(4) . .
C22 C23 C24 N3 -0.7(4) . .
C22 C21 C25 N3 -1.0(4) . .
C20 C21 C25 N3 179.6(2) . .
C6 C7 N1 N1 -139.7(2) . 2_576
C2 C7 N1 N1 39.3(3) . 2_576
C9 C8 N2 C12 -0.6(4) . .
C9 C8 N2 Cd1 170.8(2) . .
C11 C12 N2 C8 1.9(4) . .
C11 C12 N2 Cd1 -169.78(18) . .
N3 Cd1 N2 C8 95.86(19) 2_666 .
O1 Cd1 N2 C8 -161.07(19) . .
O2 Cd1 N2 C8 -105.60(19) . .
Cl1 Cd1 N2 C8 -7.32(19) . .
Cl1 Cd1 N2 C8 85.3(12) 2_566 .
C1 Cd1 N2 C8 -133.3(2) . .
N3 Cd1 N2 C12 -92.85(18) 2_666 .
O1 Cd1 N2 C12 10.22(17) . .
O2 Cd1 N2 C12 65.69(17) . .
Cl1 Cd1 N2 C12 163.97(17) . .
Cl1 Cd1 N2 C12 -103.4(12) 2_566 .
C1 Cd1 N2 C12 37.96(18) . .
C23 C24 N3 C25 -0.1(4) . .
C23 C24 N3 Cd1 177.73(19) . 2_666
C21 C25 N3 C24 1.0(4) . .
C21 C25 N3 Cd1 -176.92(17) . 2_666
O2 C1 O1 Cd1 7.8(2) . .
C2 C1 O1 Cd1 -163.94(16) . .
N3 Cd1 O1 C1 173.51(12) 2_666 .
N2 Cd1 O1 C1 85.19(13) . .
O2 Cd1 O1 C1 -4.12(11) . .
Cl1 Cd1 O1 C1 -3.59(18) . .
Cl1 Cd1 O1 C1 -97.03(12) 2_566 .
O1 C1 O2 Cd1 -7.5(2) . .
C2 C1 O2 Cd1 164.12(16) . .
N3 Cd1 O2 C1 -2.2(2) 2_666 .
O1 Cd1 O2 C1 4.12(11) . .
N2 Cd1 O2 C1 -84.22(13) . .
Cl1 Cd1 O2 C1 -175.65(11) . .
Cl1 Cd1 O2 C1 95.32(12) 2_566 .
C15 C14 O3 C13 -9.9(4) . .
C19 C14 O3 C13 170.7(2) . .
C11 C13 O3 C14 -167.26(19) . .
C18 C19 O4 C20 -0.9(4) . .
C14 C19 O4 C20 179.2(2) . .
C21 C20 O4 C19 -177.6(2) . .
