#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:55:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180485 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/54/7215464.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_7215464
loop_
_publ_author_name
'Biet, Thomas'
'Avarvari, Narcis'
_publ_section_title
;
 Electroactive tetrathiafulvalene based pyridine-mono and
 -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and
 coordination chemistry
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              6612
_journal_paper_doi               10.1039/c4ce00736k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C58 H52 Cd5 Cl10 N16 S16'
_chemical_formula_sum            'C58 H52 Cd5 Cl10 N16 S16'
_chemical_formula_weight         2402.62
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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                 103.108(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.796(4)
_cell_length_b                   9.9569(12)
_cell_length_c                   25.493(3)
_cell_measurement_reflns_used    8046
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.20
_cell_volume                     4152.3(12)
_computing_cell_refinement
'Dirax/1sq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'Denzo and Scalepak'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  area_detector
_diffrn_measurement_method       CCD
_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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            42521
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    2.033
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2356
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.211
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         8046
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0372
_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)+(0.0360P)²+9.0413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                6326
_reflns_number_total             8046
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00736k2.cif
_cod_data_source_block           6
_cod_depositor_comments
;Adding full bibliography for 7215460--7215464.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7215464
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
Cd3 Cd -0.019151(19) 0.64305(3) -0.054122(13) 0.03615(9) Uani 1 1 d .
Cd2 Cd 0.0000 1.0000 0.0000 0.04168(13) Uani 1 2 d S
Cd1 Cd 0.065376(19) 0.71754(3) 0.106904(13) 0.03596(9) Uani 1 1 d .
S1 S 0.67633(7) 0.36442(12) 0.16556(5) 0.0437(3) Uani 1 1 d .
S2 S 0.60604(8) 0.60904(13) 0.10957(6) 0.0514(3) Uani 1 1 d .
S3 S 0.52718(7) 0.35107(13) 0.22798(5) 0.0432(3) Uani 1 1 d .
S4 S 0.45800(8) 0.59947(13) 0.17231(5) 0.0492(3) Uani 1 1 d .
S5 S 0.40470(7) 0.23102(13) 0.09732(5) 0.0490(3) Uani 1 1 d .
S6 S 0.47084(8) -0.03652(15) 0.13519(6) 0.0578(4) Uani 1 1 d .
S7 S 0.54495(9) 0.25502(15) 0.02644(6) 0.0590(4) Uani 1 1 d .
S8 S 0.60979(8) -0.00886(15) 0.06750(5) 0.0523(3) Uani 1 1 d .
C10 C 0.7910(3) 0.3420(6) 0.1039(2) 0.0608(14) Uani 1 1 d .
H10A H 0.8002 0.2669 0.1281 0.091 Uiso 1 1 calc R
H10B H 0.8389 0.3976 0.1103 0.091 Uiso 1 1 calc R
H10C H 0.7794 0.3101 0.0674 0.091 Uiso 1 1 calc R
C9 C 0.7149(4) 0.6071(6) 0.0432(2) 0.0694(17) Uani 1 1 d .
H9A H 0.6807 0.6842 0.0327 0.104 Uiso 1 1 calc R
H9B H 0.7105 0.5481 0.0129 0.104 Uiso 1 1 calc R
H9C H 0.7707 0.6354 0.0554 0.104 Uiso 1 1 calc R
C2 C 0.7195(3) 0.4227(5) 0.11307(19) 0.0425(11) Uani 1 1 d .
C1 C 0.6880(3) 0.5339(5) 0.08802(19) 0.0451(11) Uani 1 1 d .
C3 C 0.5971(2) 0.4832(4) 0.15557(17) 0.0368(10) Uani 1 1 d .
C4 C 0.5370(3) 0.4781(5) 0.18203(18) 0.0390(10) Uani 1 1 d .
C6 C 0.4266(3) 0.3913(5) 0.22899(18) 0.0402(10) Uani 1 1 d .
H6 H 0.3961 0.3363 0.2465 0.048 Uiso 1 1 calc R
C5 C 0.3940(3) 0.5037(5) 0.20381(17) 0.0400(10) Uani 1 1 d .
C7 C 0.3108(3) 0.5572(5) 0.19760(17) 0.0383(10) Uani 1 1 d .
C8 C 0.2582(3) 0.6105(5) 0.15304(18) 0.0449(11) Uani 1 1 d .
H8 H 0.2691 0.6193 0.1190 0.054 Uiso 1 1 calc R
C11 C 0.2882(3) 0.5198(5) 0.29288(16) 0.0419(11) Uani 1 1 d .
H11A H 0.2685 0.5842 0.3156 0.050 Uiso 1 1 calc R
H11B H 0.3470 0.5124 0.3055 0.050 Uiso 1 1 calc R
C12 C 0.2492(3) 0.3853(5) 0.29690(16) 0.0371(10) Uani 1 1 d .
C13 C 0.2027(3) 0.3590(5) 0.33451(18) 0.0456(11) Uani 1 1 d .
H13 H 0.1956 0.4244 0.3590 0.055 Uiso 1 1 calc R
C14 C 0.1675(3) 0.2341(5) 0.33472(19) 0.0480(12) Uani 1 1 d .
H14 H 0.1372 0.2131 0.3599 0.058 Uiso 1 1 calc R
C15 C 0.1780(3) 0.1406(5) 0.29684(19) 0.0442(11) Uani 1 1 d .
H15 H 0.1539 0.0562 0.2957 0.053 Uiso 1 1 calc R
C16 C 0.2247(3) 0.1741(4) 0.26070(17) 0.0366(10) Uani 1 1 d .
C27 C 0.2387(3) 0.0824(5) 0.21660(17) 0.0420(11) Uani 1 1 d .
H27A H 0.2955 0.0548 0.2241 0.050 Uiso 1 1 calc R
H27B H 0.2051 0.0026 0.2151 0.050 Uiso 1 1 calc R
C24 C 0.2127(3) 0.2590(5) 0.09076(18) 0.0404(10) Uani 1 1 d .
H24 H 0.2257 0.2960 0.0603 0.049 Uiso 1 1 calc R
C23 C 0.2628(2) 0.1788(4) 0.12799(17) 0.0349(9) Uani 1 1 d .
C21 C 0.3438(3) 0.1266(5) 0.12774(17) 0.0376(10) Uani 1 1 d .
C22 C 0.3745(3) 0.0051(5) 0.14442(19) 0.0474(12) Uani 1 1 d .
H22 H 0.3449 -0.0550 0.1605 0.057 Uiso 1 1 calc R
C20 C 0.4780(3) 0.1055(5) 0.09490(18) 0.0434(11) Uani 1 1 d .
C19 C 0.5356(3) 0.1168(5) 0.06690(18) 0.0440(11) Uani 1 1 d .
C17 C 0.6289(3) 0.1898(6) 0.0037(2) 0.0567(14) Uani 1 1 d .
C18 C 0.6584(3) 0.0702(6) 0.0224(2) 0.0540(13) Uani 1 1 d .
C25 C 0.6617(5) 0.2782(7) -0.0347(2) 0.085(2) Uani 1 1 d .
H25A H 0.6292 0.3583 -0.0419 0.128 Uiso 1 1 calc R
H25B H 0.6593 0.2307 -0.0678 0.128 Uiso 1 1 calc R
H25C H 0.7173 0.3019 -0.0188 0.128 Uiso 1 1 calc R
C26 C 0.7313(4) -0.0011(7) 0.0102(2) 0.0725(17) Uani 1 1 d .
H26A H 0.7393 -0.0851 0.0292 0.109 Uiso 1 1 calc R
H26B H 0.7791 0.0538 0.0215 0.109 Uiso 1 1 calc R
H26C H 0.7219 -0.0174 -0.0278 0.109 Uiso 1 1 calc R
C28 C 0.0088(4) 0.9527(9) 0.1920(3) 0.088(2) Uani 1 1 d .
C29 C -0.0230(5) 1.0841(8) 0.2116(3) 0.107(3) Uani 1 1 d .
H29A H -0.0738 1.1085 0.1877 0.160 Uiso 1 1 calc R
H29B H 0.0164 1.1542 0.2120 0.160 Uiso 1 1 calc R
H29C H -0.0313 1.0716 0.2473 0.160 Uiso 1 1 calc R
Cl4 Cl -0.06860(6) 0.78250(10) 0.02978(4) 0.0362(2) Uani 1 1 d .
Cl2 Cl 0.10434(6) 0.56148(10) 0.02579(4) 0.0343(2) Uani 1 1 d .
Cl3 Cl 0.13200(7) 0.92100(11) 0.07621(5) 0.0432(3) Uani 1 1 d .
Cl5 Cl -0.05498(7) 1.14381(11) 0.06977(5) 0.0425(3) Uani 1 1 d .
Cl1 Cl -0.00874(7) 0.50929(11) 0.13054(5) 0.0429(3) Uani 1 1 d .
N3 N 0.1888(2) 0.6476(4) 0.16646(15) 0.0420(9) Uani 1 1 d .
N2 N 0.1940(2) 0.6217(4) 0.21803(15) 0.0427(9) Uani 1 1 d .
N1 N 0.2686(2) 0.5673(4) 0.23703(14) 0.0360(8) Uani 1 1 d .
N4 N 0.2609(2) 0.2944(4) 0.26119(14) 0.0374(8) Uani 1 1 d .
N5 N 0.2177(2) 0.1529(4) 0.16485(14) 0.0357(8) Uani 1 1 d .
N6 N 0.1437(2) 0.2103(4) 0.15127(15) 0.0402(9) Uani 1 1 d .
N7 N 0.1414(2) 0.2749(4) 0.10598(15) 0.0390(8) Uani 1 1 d .
N8 N 0.0283(3) 0.8557(6) 0.1739(2) 0.0777(16) 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'
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'
N N 0.0061 0.0033 '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'
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
N7 Cd3 Cl5 91.04(10) 3_565 3_575
N7 Cd3 Cl1 93.72(10) 3_565 3_565
Cl5 Cd3 Cl1 101.09(4) 3_575 3_565
N7 Cd3 Cl2 87.92(9) 3_565 3_565
Cl5 Cd3 Cl2 171.40(3) 3_575 3_565
Cl1 Cd3 Cl2 87.50(3) 3_565 3_565
N7 Cd3 Cl2 165.90(9) 3_565 .
Cl5 Cd3 Cl2 92.88(4) 3_575 .
Cl1 Cd3 Cl2 98.81(4) 3_565 .
Cl2 Cd3 Cl2 86.18(3) 3_565 .
N7 Cd3 Cl4 83.38(9) 3_565 .
Cl5 Cd3 Cl4 86.96(3) 3_575 .
Cl1 Cd3 Cl4 171.52(3) 3_565 .
Cl2 Cd3 Cl4 84.43(3) 3_565 .
Cl2 Cd3 Cl4 83.30(3) . .
Cl5 Cd2 Cl5 180.00(5) 3_575 .
Cl5 Cd2 Cl4 90.52(3) 3_575 3_575
Cl5 Cd2 Cl4 89.48(3) . 3_575
Cl5 Cd2 Cl4 89.48(3) 3_575 .
Cl5 Cd2 Cl4 90.52(3) . .
Cl4 Cd2 Cl4 180.00(4) 3_575 .
Cl5 Cd2 Cl3 88.34(4) 3_575 .
Cl5 Cd2 Cl3 91.66(4) . .
Cl4 Cd2 Cl3 96.00(3) 3_575 .
Cl4 Cd2 Cl3 84.00(3) . .
Cl5 Cd2 Cl3 91.66(4) 3_575 3_575
Cl5 Cd2 Cl3 88.34(4) . 3_575
Cl4 Cd2 Cl3 84.00(3) 3_575 3_575
Cl4 Cd2 Cl3 96.00(3) . 3_575
Cl3 Cd2 Cl3 180.0 . 3_575
N3 Cd1 N8 92.46(17) . .
N3 Cd1 Cl3 92.84(9) . .
N8 Cd1 Cl3 88.01(14) . .
N3 Cd1 Cl1 90.71(10) . .
N8 Cd1 Cl1 94.51(14) . .
Cl3 Cd1 Cl1 175.56(4) . .
N3 Cd1 Cl4 173.25(10) . .
N8 Cd1 Cl4 94.22(15) . .
Cl3 Cd1 Cl4 86.39(4) . .
Cl1 Cd1 Cl4 89.77(4) . .
N3 Cd1 Cl2 89.59(10) . .
N8 Cd1 Cl2 177.85(15) . .
Cl3 Cd1 Cl2 91.28(4) . .
Cl1 Cd1 Cl2 86.07(3) . .
Cl4 Cd1 Cl2 83.72(3) . .
C3 S1 C2 95.6(2) . .
C3 S2 C1 95.6(2) . .
C6 S3 C4 94.7(2) . .
C5 S4 C4 94.7(2) . .
C21 S5 C20 94.4(2) . .
C22 S6 C20 94.4(2) . .
C19 S7 C17 95.1(3) . .
C18 S8 C19 96.3(3) . .
C1 C2 C10 128.0(5) . .
C1 C2 S1 116.9(3) . .
C10 C2 S1 115.0(4) . .
C2 C1 C9 127.7(5) . .
C2 C1 S2 117.4(4) . .
C9 C1 S2 114.9(4) . .
C4 C3 S2 123.8(3) . .
C4 C3 S1 122.4(3) . .
S2 C3 S1 113.8(2) . .
C3 C4 S3 124.0(3) . .
C3 C4 S4 122.1(3) . .
S3 C4 S4 113.9(2) . .
C5 C6 S3 118.4(3) . .
C6 C5 C7 128.8(4) . .
C6 C5 S4 116.4(3) . .
C7 C5 S4 114.8(3) . .
N1 C7 C8 103.7(4) . .
N1 C7 C5 126.2(4) . .
C8 C7 C5 130.1(4) . .
N3 C8 C7 109.1(4) . .
N1 C11 C12 110.4(3) . .
N4 C12 C13 122.4(4) . .
N4 C12 C11 115.2(4) . .
C13 C12 C11 122.4(4) . .
C14 C13 C12 118.8(5) . .
C13 C14 C15 118.9(4) . .
C16 C15 C14 119.0(4) . .
N4 C16 C15 122.3(4) . .
N4 C16 C27 113.6(4) . .
C15 C16 C27 124.0(4) . .
N5 C27 C16 109.6(4) . .
N7 C24 C23 108.4(4) . .
N5 C23 C24 103.7(4) . .
N5 C23 C21 127.1(4) . .
C24 C23 C21 129.1(4) . .
C22 C21 C23 127.6(4) . .
C22 C21 S5 116.8(3) . .
C23 C21 S5 115.4(3) . .
C21 C22 S6 118.3(4) . .
C19 C20 S5 123.8(4) . .
C19 C20 S6 122.2(4) . .
S5 C20 S6 114.0(3) . .
C20 C19 S7 123.8(4) . .
C20 C19 S8 122.2(4) . .
S7 C19 S8 114.0(3) . .
C18 C17 C25 126.3(6) . .
C18 C17 S7 117.9(4) . .
C25 C17 S7 115.7(5) . .
C17 C18 C26 126.7(5) . .
C17 C18 S8 116.6(4) . .
C26 C18 S8 116.6(4) . .
N8 C28 C29 175.0(8) . .
Cd2 Cl4 Cd1 93.42(3) . .
Cd2 Cl4 Cd3 87.89(3) . .
Cd1 Cl4 Cd3 95.37(3) . .
Cd3 Cl2 Cd3 93.82(3) 3_565 .
Cd3 Cl2 Cd1 89.66(3) 3_565 .
Cd3 Cl2 Cd1 97.11(3) . .
Cd1 Cl3 Cd2 96.14(4) . .
Cd3 Cl5 Cd2 95.14(4) 3_575 .
Cd1 Cl1 Cd3 96.69(4) . 3_565
N2 N3 C8 109.6(4) . .
N2 N3 Cd1 122.9(3) . .
C8 N3 Cd1 126.9(3) . .
N3 N2 N1 106.3(3) . .
N2 N1 C7 111.2(3) . .
N2 N1 C11 117.6(3) . .
C7 N1 C11 130.9(4) . .
C12 N4 C16 118.5(4) . .
N6 N5 C23 111.8(3) . .
N6 N5 C27 117.2(3) . .
C23 N5 C27 130.9(4) . .
N7 N6 N5 106.0(3) . .
N6 N7 C24 110.1(4) . .
N6 N7 Cd3 121.2(3) . 3_565
C24 N7 Cd3 127.2(3) . 3_565
C28 N8 Cd1 156.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd3 N7 2.323(4) 3_565
Cd3 Cl5 2.5374(12) 3_575
Cd3 Cl1 2.5942(11) 3_565
Cd3 Cl2 2.6805(11) 3_565
Cd3 Cl2 2.6824(11) .
Cd3 Cl4 2.8281(11) .
Cd2 Cl5 2.6099(11) 3_575
Cd2 Cl5 2.6099(11) .
Cd2 Cl4 2.6439(11) 3_575
Cd2 Cl4 2.6439(11) .
Cd2 Cl3 2.7121(12) .
Cd2 Cl3 2.7121(12) 3_575
Cd1 N3 2.379(4) .
Cd1 N8 2.384(5) .
Cd1 Cl3 2.5230(12) .
Cd1 Cl1 2.5598(12) .
Cd1 Cl4 2.7094(12) .
Cd1 Cl2 2.7807(11) .
S1 C3 1.755(4) .
S1 C2 1.759(5) .
S2 C3 1.746(4) .
S2 C1 1.760(5) .
S3 C6 1.742(4) .
S3 C4 1.757(5) .
S4 C5 1.760(4) .
S4 C4 1.770(5) .
S5 C21 1.757(4) .
S5 C20 1.765(5) .
S6 C22 1.737(5) .
S6 C20 1.768(5) .
S7 C19 1.748(5) .
S7 C17 1.767(6) .
S8 C18 1.741(5) .
S8 C19 1.763(5) .
C10 C2 1.506(6) .
C9 C1 1.508(7) .
C2 C1 1.327(7) .
C3 C4 1.337(6) .
C6 C5 1.344(6) .
C5 C7 1.471(6) .
C7 N1 1.359(5) .
C7 C8 1.378(6) .
C8 N3 1.339(6) .
C11 N1 1.465(5) .
C11 C12 1.504(6) .
C12 N4 1.330(6) .
C12 C13 1.392(6) .
C13 C14 1.377(7) .
C14 C15 1.381(7) .
C15 C16 1.380(6) .
C16 N4 1.341(6) .
C16 C27 1.508(6) .
C27 N5 1.465(5) .
C24 N7 1.350(6) .
C24 C23 1.373(6) .
C23 N5 1.359(5) .
C23 C21 1.457(6) .
C21 C22 1.346(6) .
C20 C19 1.331(6) .
C17 C18 1.336(8) .
C17 C25 1.509(7) .
C18 C26 1.508(8) .
C28 N8 1.149(9) .
C28 C29 1.538(11) .
Cl2 Cd3 2.6805(11) 3_565
Cl5 Cd3 2.5374(12) 3_575
Cl1 Cd3 2.5942(11) 3_565
N3 N2 1.323(5) .
N2 N1 1.350(5) .
N5 N6 1.341(5) .
N6 N7 1.315(5) .
N7 Cd3 2.323(4) 3_565
