#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/11/7211107.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_7211107
loop_
_publ_author_name
'Ponomarova, Vira V.'
'Komarchuk, Vasiliy V.'
'Boldog, Ishtvan'
'Krautscheid, Harald'
'Domasevitch, Konstantin V.'
_publ_section_title
;
 Modular construction of 3D coordination frameworks incorporating
 SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}]
 synthon
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              8280
_journal_paper_doi               10.1039/c3ce41238e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C42 H56 Cd2 F6 N18 S2 Si, 6(C H Cl3)'
_chemical_formula_sum            'C48 H62 Cd2 Cl18 F6 N18 S2 Si'
_chemical_formula_weight         1960.27
_chemical_name_systematic
;
bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis
(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II),
Solvate with 6 Chloroform
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4685(12)
_cell_length_b                   22.858(3)
_cell_length_c                   23.048(3)
_cell_measurement_reflns_used    42980
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      4.20
_cell_volume                     7622.5(15)
_computing_cell_refinement       'SAINT-NT (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-NT (Bruker, 1999)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.700.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Siemens SMART CCD area-detector diffractometer'
_diffrn_measurement_method       '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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42980
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         4.20
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.322
_exptl_absorpt_correction_T_max  0.7779
_exptl_absorpt_correction_T_min  0.7335
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3912
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.133
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8386
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0850P)²+29.8985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1624
_reflns_number_gt                7055
_reflns_number_total             8386
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41238e.txt
_cod_data_source_block           (2)
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               7211107
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.01431(2) 0.135165(12) 0.384578(12) 0.02094(11) Uani 1 1 d . . .
Si1 Si 0.0000 0.0000 0.5000 0.0199(3) Uani 1 2 d S . .
S1 S 0.10786(12) 0.27429(7) 0.23414(7) 0.0573(4) Uani 1 1 d . . .
F1 F 0.00246(19) 0.05729(11) 0.45371(12) 0.0336(6) Uani 1 1 d . . .
F2 F -0.10665(18) 0.01990(12) 0.52171(12) 0.0345(6) Uani 1 1 d . . .
F3 F 0.0470(2) 0.04189(12) 0.55206(11) 0.0363(6) Uani 1 1 d . . .
N1 N -0.1062(3) 0.08456(15) 0.33979(16) 0.0285(8) Uani 1 1 d . . .
N2 N -0.1031(3) 0.02496(16) 0.33723(17) 0.0304(8) Uani 1 1 d . . .
H2 H -0.0702 0.0035 0.3606 0.046 Uiso 1 1 calc R . .
N3 N -0.3833(3) 0.06741(16) 0.15992(15) 0.0285(8) Uani 1 1 d . . .
N4 N -0.3163(3) 0.04185(18) 0.12891(17) 0.0325(8) Uani 1 1 d . . .
H4 H -0.3210 0.0340 0.0921 0.049 Uiso 1 1 calc R . .
N5 N -0.0925(3) 0.17629(16) 0.44904(16) 0.0286(8) Uani 1 1 d . . .
N6 N -0.1472(3) 0.14093(16) 0.48177(17) 0.0316(8) Uani 1 1 d . . .
H6 H -0.1374 0.1037 0.4866 0.047 Uiso 1 1 calc R . .
N7 N -0.3641(3) 0.33768(17) 0.55332(16) 0.0302(8) Uani 1 1 d . . .
N8 N -0.3716(3) 0.34877(17) 0.49558(16) 0.0322(8) Uani 1 1 d . . .
H8 H -0.4074 0.3756 0.4809 0.048 Uiso 1 1 calc R . .
N9 N 0.0269(3) 0.20782(19) 0.32099(19) 0.0384(9) Uani 1 1 d . . .
C1 C -0.1847(4) 0.1627(2) 0.2851(3) 0.0464(13) Uani 1 1 d . . .
H1A H -0.1550 0.1869 0.3142 0.070 Uiso 1 1 calc R . .
H1B H -0.2510 0.1687 0.2866 0.070 Uiso 1 1 calc R . .
H1C H -0.1619 0.1733 0.2469 0.070 Uiso 1 1 calc R . .
C2 C -0.1634(3) 0.09987(18) 0.29664(19) 0.0270(9) Uani 1 1 d . . .
C3 C -0.1963(3) 0.05015(18) 0.26692(18) 0.0259(8) Uani 1 1 d . . .
C4 C -0.1560(3) 0.00310(19) 0.2949(2) 0.0321(10) Uani 1 1 d . . .
C5 C -0.1657(4) -0.0610(2) 0.2852(3) 0.0530(15) Uani 1 1 d . . .
H5A H -0.1493 -0.0702 0.2455 0.080 Uiso 1 1 calc R . .
H5B H -0.2291 -0.0726 0.2924 0.080 Uiso 1 1 calc R . .
H5C H -0.1249 -0.0818 0.3115 0.080 Uiso 1 1 calc R . .
C6 C -0.4079(4) 0.0936(3) 0.2627(2) 0.0415(12) Uani 1 1 d . . .
H6A H -0.3921 0.1340 0.2710 0.062 Uiso 1 1 calc R . .
H6B H -0.3971 0.0699 0.2969 0.062 Uiso 1 1 calc R . .
H6C H -0.4726 0.0912 0.2519 0.062 Uiso 1 1 calc R . .
C7 C -0.3497(3) 0.07185(19) 0.21404(18) 0.0274(9) Uani 1 1 d . . .
C8 C -0.2591(3) 0.04989(18) 0.21646(18) 0.0256(8) Uani 1 1 d . . .
C9 C -0.2406(3) 0.0295(2) 0.1610(2) 0.0330(10) Uani 1 1 d . . .
C10 C -0.1591(4) -0.0020(3) 0.1371(3) 0.0528(14) Uani 1 1 d . . .
H10A H -0.1639 -0.0433 0.1462 0.079 Uiso 1 1 calc R . .
H10B H -0.1030 0.0137 0.1541 0.079 Uiso 1 1 calc R . .
H10C H -0.1571 0.0030 0.0953 0.079 Uiso 1 1 calc R . .
C11 C -0.0868(4) 0.2809(2) 0.4235(3) 0.0506(15) Uani 1 1 d . . .
H11A H -0.0200 0.2778 0.4261 0.076 Uiso 1 1 calc R . .
H11B H -0.1069 0.3166 0.4425 0.076 Uiso 1 1 calc R . .
H11C H -0.1051 0.2818 0.3831 0.076 Uiso 1 1 calc R . .
C12 C -0.1304(3) 0.22930(18) 0.4527(2) 0.0304(9) Uani 1 1 d . . .
C13 C -0.2098(3) 0.22807(19) 0.48773(18) 0.0288(9) Uani 1 1 d . . .
C14 C -0.2180(3) 0.1703(2) 0.5057(2) 0.0329(10) Uani 1 1 d . . .
C15 C -0.2862(4) 0.1400(2) 0.5434(3) 0.0506(14) Uani 1 1 d . . .
H15A H -0.2922 0.0996 0.5311 0.076 Uiso 1 1 calc R . .
H15B H -0.3456 0.1594 0.5403 0.076 Uiso 1 1 calc R . .
H15C H -0.2652 0.1413 0.5833 0.076 Uiso 1 1 calc R . .
C16 C -0.2740(5) 0.2709(3) 0.6157(2) 0.0577(18) Uani 1 1 d . . .
H16A H -0.2687 0.3031 0.6429 0.087 Uiso 1 1 calc R . .
H16B H -0.2147 0.2515 0.6119 0.087 Uiso 1 1 calc R . .
H16C H -0.3195 0.2432 0.6299 0.087 Uiso 1 1 calc R . .
C17 C -0.3037(3) 0.2938(2) 0.55771(19) 0.0323(10) Uani 1 1 d . . .
C18 C -0.2725(3) 0.2766(2) 0.50214(19) 0.0300(9) Uani 1 1 d . . .
C19 C -0.3174(3) 0.3134(2) 0.46404(19) 0.0325(10) Uani 1 1 d . . .
C20 C -0.3130(5) 0.3181(3) 0.3997(2) 0.0517(15) Uani 1 1 d . . .
H20A H -0.3729 0.3298 0.3849 0.078 Uiso 1 1 calc R . .
H20B H -0.2961 0.2804 0.3834 0.078 Uiso 1 1 calc R . .
H20C H -0.2670 0.3470 0.3890 0.078 Uiso 1 1 calc R . .
C21 C 0.0596(3) 0.2360(2) 0.2856(2) 0.0352(10) Uani 1 1 d . . .
C22 C 0.0160(7) 0.1843(5) 0.1172(4) 0.093(3) Uani 1 1 d . . .
H22 H 0.0319 0.2046 0.1538 0.111 Uiso 1 1 calc R . .
Cl1 Cl -0.0733(3) 0.13773(17) 0.1323(2) 0.1533(15) Uani 1 1 d . . .
Cl2 Cl 0.1142(3) 0.1504(2) 0.09326(16) 0.1639(16) Uani 1 1 d . . .
Cl3 Cl -0.0179(3) 0.2372(3) 0.0680(3) 0.227(3) Uani 1 1 d . . .
Cl4 Cl 0.32282(16) 0.32418(9) 0.27005(11) 0.0878(7) Uani 1 1 d . . .
C23 C 0.4180(16) 0.3725(9) 0.2738(11) 0.061(5) Uani 0.50 1 d P A -1
H23 H 0.4741 0.3478 0.2716 0.073 Uiso 0.50 1 calc PR A -1
Cl5 Cl 0.4258(3) 0.4208(3) 0.2183(3) 0.1060(18) Uani 0.50 1 d P A -1
Cl6 Cl 0.4184(4) 0.4044(2) 0.3432(3) 0.0939(16) Uani 0.50 1 d P A -1
C23A C 0.4195(19) 0.3599(10) 0.2991(11) 0.070(6) Uani 0.50 1 d P A -2
H23A H 0.4768 0.3453 0.2806 0.084 Uiso 0.50 1 calc PR A -2
Cl5A Cl 0.4258(6) 0.3514(6) 0.3751(3) 0.179(4) Uani 0.50 1 d P A -2
Cl6A Cl 0.4119(4) 0.4309(2) 0.2919(8) 0.211(7) Uani 0.50 1 d P A -2
C24 C -0.3960(8) -0.0194(8) 0.4334(5) 0.149(7) Uiso 0.65 1 d PD B -3
H24 H -0.4220 0.0207 0.4325 0.179 Uiso 0.65 1 calc PR B -3
Cl7 Cl -0.2815(5) -0.0185(3) 0.4565(4) 0.171(2) Uiso 0.65 1 d PD B -3
Cl8 Cl -0.4584(7) -0.0641(5) 0.4806(5) 0.216(4) Uiso 0.65 1 d PD B -3
Cl9 Cl -0.4069(6) -0.0534(4) 0.3656(4) 0.184(3) Uiso 0.65 1 d PD B -3
C24A C -0.3593(17) -0.0558(13) 0.4277(9) 0.149(7) Uiso 0.35 1 d PD C -4
H24A H -0.3338 -0.0866 0.4021 0.179 Uiso 0.35 1 calc PR C -4
Cl7A Cl -0.2970(12) 0.0072(8) 0.4125(9) 0.208(6) Uiso 0.35 1 d PD C -4
Cl8A Cl -0.3144(8) -0.0690(5) 0.4958(5) 0.139(3) Uiso 0.35 1 d PD C -4
Cl9A Cl -0.4785(15) -0.0597(12) 0.4207(13) 0.274(10) Uiso 0.35 1 d PD C -4
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
N9 Cd1 N1 98.05(15) . .
N9 Cd1 N5 99.95(15) . .
N1 Cd1 N5 89.25(13) . .
N9 Cd1 N7 98.20(15) . 4_556
N1 Cd1 N7 163.60(13) . 4_556
N5 Cd1 N7 90.09(13) . 4_556
N9 Cd1 N3 98.69(15) . 6_656
N1 Cd1 N3 87.24(13) . 6_656
N5 Cd1 N3 161.34(13) . 6_656
N7 Cd1 N3 88.17(13) 4_556 6_656
N9 Cd1 F1 179.27(14) . .
N1 Cd1 F1 82.67(11) . .
N5 Cd1 F1 80.15(11) . .
N7 Cd1 F1 81.07(11) 4_556 .
N3 Cd1 F1 81.22(11) 6_656 .
F3 Si1 F3 180.00(15) . 5_556
F3 Si1 F2 90.27(14) . .
F3 Si1 F2 89.73(14) 5_556 .
F3 Si1 F2 89.73(14) . 5_556
F3 Si1 F2 90.27(14) 5_556 5_556
F2 Si1 F2 180.00(18) . 5_556
F3 Si1 F1 90.04(13) . .
F3 Si1 F1 89.96(13) 5_556 .
F2 Si1 F1 89.86(13) . .
F2 Si1 F1 90.14(13) 5_556 .
F3 Si1 F1 89.96(13) . 5_556
F3 Si1 F1 90.04(13) 5_556 5_556
F2 Si1 F1 90.14(13) . 5_556
F2 Si1 F1 89.86(13) 5_556 5_556
F1 Si1 F1 180.00(11) . 5_556
Si1 F1 Cd1 176.07(16) . .
C2 N1 N2 104.4(3) . .
C2 N1 Cd1 131.3(3) . .
N2 N1 Cd1 119.3(3) . .
C4 N2 N1 112.7(3) . .
N4 N3 C7 105.5(3) . .
N4 N3 Cd1 120.4(3) . 6_556
C7 N3 Cd1 125.3(3) . 6_556
N3 N4 C9 112.7(4) . .
C12 N5 N6 105.4(3) . .
C12 N5 Cd1 132.6(3) . .
N6 N5 Cd1 119.8(3) . .
C14 N6 N5 112.0(4) . .
C17 N7 N8 105.5(3) . .
C17 N7 Cd1 129.9(3) . 4_456
N8 N7 Cd1 119.1(3) . 4_456
C19 N8 N7 111.8(4) . .
C21 N9 Cd1 157.9(4) . .
N1 C2 C3 111.0(4) . .
N1 C2 C1 120.7(4) . .
C3 C2 C1 128.3(4) . .
C4 C3 C2 104.9(4) . .
C4 C3 C8 128.6(4) . .
C2 C3 C8 126.4(4) . .
N2 C4 C3 106.9(4) . .
N2 C4 C5 122.1(4) . .
C3 C4 C5 130.9(4) . .
N3 C7 C8 110.3(4) . .
N3 C7 C6 121.4(4) . .
C8 C7 C6 128.2(4) . .
C9 C8 C7 105.3(4) . .
C9 C8 C3 127.5(4) . .
C7 C8 C3 127.2(4) . .
N4 C9 C8 106.1(4) . .
N4 C9 C10 122.7(4) . .
C8 C9 C10 131.1(4) . .
N5 C12 C13 110.8(4) . .
N5 C12 C11 120.9(4) . .
C13 C12 C11 128.2(4) . .
C14 C13 C12 105.1(4) . .
C14 C13 C18 126.6(4) . .
C12 C13 C18 128.3(4) . .
N6 C14 C13 106.7(4) . .
N6 C14 C15 120.9(4) . .
C13 C14 C15 132.4(4) . .
N7 C17 C18 110.5(4) . .
N7 C17 C16 121.2(4) . .
C18 C17 C16 128.3(4) . .
C19 C18 C17 104.9(4) . .
C19 C18 C13 127.4(4) . .
C17 C18 C13 127.7(4) . .
N8 C19 C18 107.4(4) . .
N8 C19 C20 121.5(4) . .
C18 C19 C20 131.2(4) . .
N9 C21 S1 178.1(5) . .
Cl2 C22 Cl1 114.4(7) . .
Cl2 C22 Cl3 110.0(6) . .
Cl1 C22 Cl3 110.8(5) . .
Cl5 C23 Cl6 114.6(13) . .
Cl5 C23 Cl4 115.1(13) . .
Cl6 C23 Cl4 107.8(13) . .
Cl6A C23A Cl4 111.7(12) . .
Cl6A C23A Cl5A 102.5(16) . .
Cl4 C23A Cl5A 111.6(15) . .
Cl7 C24 Cl8 107.9(9) . .
Cl7 C24 Cl9 111.3(9) . .
Cl8 C24 Cl9 104.5(8) . .
Cl8A C24A Cl9A 116.7(18) . .
Cl8A C24A Cl7A 97.6(12) . .
Cl9A C24A Cl7A 123(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N9 2.223(4) .
Cd1 N1 2.333(4) .
Cd1 N5 2.340(4) .
Cd1 N7 2.352(4) 4_556
Cd1 N3 2.376(4) 6_656
Cd1 F1 2.395(2) .
Si1 F3 1.679(3) .
Si1 F3 1.679(3) 5_556
Si1 F2 1.685(3) .
Si1 F2 1.685(3) 5_556
Si1 F1 1.689(2) .
Si1 F1 1.689(2) 5_556
S1 C21 1.632(5) .
N1 C2 1.341(5) .
N1 N2 1.364(5) .
N2 C4 1.337(6) .
N3 N4 1.338(5) .
N3 C7 1.343(5) .
N3 Cd1 2.376(4) 6_556
N4 C9 1.351(6) .
N5 C12 1.333(5) .
N5 N6 1.360(5) .
N6 C14 1.345(6) .
N7 C17 1.334(6) .
N7 N8 1.359(5) .
N7 Cd1 2.352(4) 4_456
N8 C19 1.341(6) .
N9 C21 1.141(6) .
C1 C2 1.492(6) .
C2 C3 1.409(6) .
C3 C4 1.383(6) .
C3 C8 1.476(6) .
C4 C5 1.488(6) .
C6 C7 1.489(6) .
C7 C8 1.404(6) .
C8 C9 1.387(6) .
C9 C10 1.488(7) .
C11 C12 1.498(7) .
C12 C13 1.404(6) .
C13 C14 1.389(6) .
C13 C18 1.470(6) .
C14 C15 1.485(7) .
C16 C17 1.498(7) .
C17 C18 1.414(6) .
C18 C19 1.379(6) .
C19 C20 1.487(7) .
C22 Cl2 1.709(12) .
C22 Cl1 1.710(10) .
C22 Cl3 1.729(10) .
Cl4 C23A 1.75(3) .
Cl4 C23 1.77(2) .
C23 Cl5 1.692(19) .
C23 Cl6 1.76(3) .
C23A Cl6A 1.63(2) .
C23A Cl5A 1.76(3) .
C24 Cl7 1.741(9) .
C24 Cl8 1.744(9) .
C24 Cl9 1.752(9) .
C24A Cl8A 1.726(10) .
C24A Cl9A 1.735(10) .
C24A Cl7A 1.736(10) .
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
N9 Cd1 N1 C2 -12.5(4) .
N5 Cd1 N1 C2 87.5(4) .
N7 Cd1 N1 C2 175.2(4) 4_556
N3 Cd1 N1 C2 -110.9(4) 6_656
F1 Cd1 N1 C2 167.6(4) .
N9 Cd1 N1 N2 138.5(3) .
N5 Cd1 N1 N2 -121.6(3) .
N7 Cd1 N1 N2 -33.8(7) 4_556
N3 Cd1 N1 N2 40.1(3) 6_656
F1 Cd1 N1 N2 -41.4(3) .
C2 N1 N2 C4 -0.4(5) .
Cd1 N1 N2 C4 -158.3(3) .
C7 N3 N4 C9 0.0(5) .
Cd1 N3 N4 C9 149.0(3) 6_556
N9 Cd1 N5 C12 -6.1(5) .
N1 Cd1 N5 C12 -104.2(4) .
N7 Cd1 N5 C12 92.2(4) 4_556
N3 Cd1 N5 C12 176.7(4) 6_656
F1 Cd1 N5 C12 173.1(4) .
N9 Cd1 N5 N6 154.6(3) .
N1 Cd1 N5 N6 56.6(3) .
N7 Cd1 N5 N6 -107.0(3) 4_556
N3 Cd1 N5 N6 -22.5(6) 6_656
F1 Cd1 N5 N6 -26.1(3) .
C12 N5 N6 C14 0.0(5) .
Cd1 N5 N6 C14 -165.4(3) .
C17 N7 N8 C19 -0.5(5) .
Cd1 N7 N8 C19 -157.0(3) 4_456
N1 Cd1 N9 C21 -112.7(11) .
N5 Cd1 N9 C21 156.7(11) .
N7 Cd1 N9 C21 65.1(11) 4_556
N3 Cd1 N9 C21 -24.2(11) 6_656
N2 N1 C2 C3 -0.1(5) .
Cd1 N1 C2 C3 154.0(3) .
N2 N1 C2 C1 -179.8(4) .
Cd1 N1 C2 C1 -25.7(7) .
N1 C2 C3 C4 0.5(5) .
C1 C2 C3 C4 -179.8(5) .
N1 C2 C3 C8 -178.8(4) .
C1 C2 C3 C8 0.8(8) .
N1 N2 C4 C3 0.7(6) .
N1 N2 C4 C5 -178.0(5) .
C2 C3 C4 N2 -0.7(5) .
C8 C3 C4 N2 178.6(4) .
C2 C3 C4 C5 177.9(6) .
C8 C3 C4 C5 -2.8(9) .
N4 N3 C7 C8 1.4(5) .
Cd1 N3 C7 C8 -145.6(3) 6_556
N4 N3 C7 C6 -174.6(4) .
Cd1 N3 C7 C6 38.4(6) 6_556
N3 C7 C8 C9 -2.3(5) .
C6 C7 C8 C9 173.3(5) .
N3 C7 C8 C3 176.0(4) .
C6 C7 C8 C3 -8.3(8) .
C4 C3 C8 C9 -61.9(7) .
C2 C3 C8 C9 117.2(5) .
C4 C3 C8 C7 120.1(6) .
C2 C3 C8 C7 -60.7(7) .
N3 N4 C9 C8 -1.5(5) .
N3 N4 C9 C10 176.4(5) .
C7 C8 C9 N4 2.2(5) .
C3 C8 C9 N4 -176.1(4) .
C7 C8 C9 C10 -175.4(6) .
C3 C8 C9 C10 6.3(9) .
N6 N5 C12 C13 -0.2(5) .
Cd1 N5 C12 C13 162.6(3) .
N6 N5 C12 C11 177.8(5) .
Cd1 N5 C12 C11 -19.4(7) .
N5 C12 C13 C14 0.3(5) .
C11 C12 C13 C14 -177.5(5) .
N5 C12 C13 C18 -178.9(4) .
C11 C12 C13 C18 3.3(9) .
N5 N6 C14 C13 0.2(6) .
N5 N6 C14 C15 -179.8(5) .
C12 C13 C14 N6 -0.3(5) .
C18 C13 C14 N6 179.0(4) .
C12 C13 C14 C15 179.7(6) .
C18 C13 C14 C15 -1.1(9) .
N8 N7 C17 C18 -0.1(5) .
Cd1 N7 C17 C18 152.9(3) 4_456
N8 N7 C17 C16 177.2(5) .
Cd1 N7 C17 C16 -29.9(7) 4_456
N7 C17 C18 C19 0.6(6) .
C16 C17 C18 C19 -176.4(6) .
N7 C17 C18 C13 -176.5(5) .
C16 C17 C18 C13 6.5(9) .
C14 C13 C18 C19 -125.3(6) .
C12 C13 C18 C19 53.8(8) .
C14 C13 C18 C17 51.1(8) .
C12 C13 C18 C17 -129.8(6) .
N7 N8 C19 C18 0.8(6) .
N7 N8 C19 C20 -179.0(5) .
C17 C18 C19 N8 -0.8(5) .
C13 C18 C19 N8 176.3(5) .
C17 C18 C19 C20 179.0(6) .
C13 C18 C19 C20 -3.9(9) .
C23A Cl4 C23 Cl5 -171(5) .
C23A Cl4 C23 Cl6 -42(4) .
C23 Cl4 C23A Cl6A 50(3) .
C23 Cl4 C23A Cl5A 164(5) .
