#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:19:13 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179104 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/66/4306670.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_4306670
loop_
_publ_author_name
'Takashi Aridomi'
'Asako Igashira-Kamiyama'
'Takumi Konno'
_publ_contact_author_address
; Department of Chemistry, Graduate School of Science,
  Osaka University, Toyonaka 560-0043, JAPAN
;
_publ_contact_author_email       ' konno@chem.sci.osaka-u.ac.jp '
_publ_contact_author_fax         ' 81-6-6850-5765 '
_publ_contact_author_name        'Takumi Konno'
_publ_contact_author_phone       ' 81-6-6850-5765 '
_publ_section_title
;
Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic
Architectures by \DL-\LL Diastereoisomerism of l-Cysteinatocobalt(III)
Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10202
_journal_page_last               10204
_journal_paper_doi               10.1021/ic801495h
_journal_volume                  47
_journal_year                    2008
_chemical_absolute_configuration rm
_chemical_formula_sum            'C21 H69 Cd3 Cl9 Co3 Cu N15 O13 Re S3'
_chemical_formula_weight         1918.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_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                120.00
_cell_formula_units_Z            2
_cell_length_a                   14.0101(16)
_cell_length_b                   14.0101(16)
_cell_length_c                   16.164(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.0
_cell_volume                     2747.7(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.1062
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3067
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        -0.11
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.208
_exptl_absorpt_correction_T_max  0.6240
_exptl_absorpt_correction_T_min  0.5088
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.760
_refine_diff_density_min         -4.509
_refine_diff_density_rms         0.251
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2766
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1462
_refine_ls_R_factor_gt           0.0592
_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)+(0.0881P)²+14.4316P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1865
_reflns_number_gt                1580
_reflns_number_total             2766
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801495h_si_002_6.cif
_cod_data_source_block           '[3ReO4]'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2747.6(6)
_cod_database_code               4306670
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.72096(16) 0.71957(15) 0.33381(15) 0.0211(4) Uani 1 1 d . . .
Cu1 Cu 1.0000 1.0000 0.3383(3) 0.0281(8) Uani 1 3 d S . .
Cd1 Cd 0.45796(9) 0.83403(9) 0.51868(11) 0.0315(3) Uani 1 1 d . . .
Cl1 Cl 1.0000 1.0000 0.1920(5) 0.0358(19) Uani 1 3 d S . .
Cl2 Cl 0.3333 0.6667 0.4060(5) 0.0310(17) Uani 1 3 d S . .
Cl3 Cl 0.3333 0.6667 0.6214(5) 0.0319(17) Uani 1 3 d S . .
Cl4 Cl 0.5417(4) 0.9487(4) 0.3895(3) 0.0395(10) Uani 1 1 d . . .
Cl5 Cl 0.4889(5) 0.9815(5) 0.6167(4) 0.0525(14) Uani 1 1 d . . .
S1 S 0.8203(3) 0.8920(3) 0.3862(3) 0.0237(7) Uani 1 1 d . . .
O1 O 0.5467(10) 0.7355(10) 0.5003(7) 0.032(3) Uani 1 1 d . . .
O2 O 0.6719(13) 0.8775(13) 0.5723(8) 0.043(3) Uani 1 1 d . . .
N1 N 0.6866(12) 0.6664(11) 0.4501(9) 0.028(3) Uani 1 1 d . . .
H1 H 0.6130 0.6241 0.4550 0.034 Uiso 1 1 calc R . .
H2 H 0.7157 0.6229 0.4598 0.034 Uiso 1 1 calc R . .
N2 N 0.7473(12) 0.7776(12) 0.2199(10) 0.031(3) Uani 1 1 d . . .
H3 H 0.8180 0.8310 0.2143 0.038 Uiso 1 1 calc R . .
H4 H 0.7341 0.7233 0.1839 0.038 Uiso 1 1 calc R . .
N3 N 0.5849(11) 0.7293(12) 0.3266(10) 0.029(3) Uani 1 1 d . . .
H5 H 0.5273 0.6663 0.3454 0.035 Uiso 1 1 calc R . .
H6 H 0.5918 0.7849 0.3586 0.035 Uiso 1 1 calc R . .
N4 N 0.8539(13) 0.7039(13) 0.3289(12) 0.034(3) Uani 1 1 d . . .
H7 H 0.9111 0.7652 0.3077 0.041 Uiso 1 1 calc R . .
H8 H 0.8724 0.6932 0.3800 0.041 Uiso 1 1 calc R . .
N5 N 0.6421(12) 0.5654(11) 0.2947(10) 0.031(3) Uani 1 1 d . . .
H9 H 0.5843 0.5243 0.3280 0.037 Uiso 1 1 calc R . .
H10 H 0.6166 0.5623 0.2431 0.037 Uiso 1 1 calc R . .
C1 C 0.8359(13) 0.8486(15) 0.4902(10) 0.028(4) Uani 1 1 d . . .
H11 H 0.8918 0.8271 0.4897 0.034 Uiso 1 1 calc R . .
H12 H 0.8583 0.9089 0.5290 0.034 Uiso 1 1 calc R . .
C2 C 0.7262(11) 0.7522(12) 0.5157(12) 0.025(3) Uani 1 1 d . . .
H13 H 0.7359 0.7211 0.5672 0.030 Uiso 1 1 calc R . .
C3 C 0.6406(13) 0.7917(13) 0.5309(10) 0.024(3) Uani 1 1 d . . .
C4 C 0.673(2) 0.8228(18) 0.2016(13) 0.047(6) Uani 1 1 d . . .
H14 H 0.7034 0.8965 0.2244 0.056 Uiso 1 1 calc R . .
H15 H 0.6647 0.8268 0.1423 0.056 Uiso 1 1 calc R . .
C5 C 0.5644(19) 0.7482(18) 0.2398(11) 0.040(5) Uani 1 1 d . . .
H16 H 0.5273 0.6789 0.2100 0.048 Uiso 1 1 calc R . .
H17 H 0.5181 0.7815 0.2383 0.048 Uiso 1 1 calc R . .
C6 C 0.827(2) 0.606(2) 0.2748(14) 0.047(6) Uani 1 1 d . . .
H18 H 0.8296 0.6261 0.2170 0.057 Uiso 1 1 calc R . .
H19 H 0.8794 0.5816 0.2838 0.057 Uiso 1 1 calc R . .
C7 C 0.720(2) 0.5221(17) 0.2956(14) 0.051(6) Uani 1 1 d . . .
H20 H 0.7207 0.4938 0.3502 0.062 Uiso 1 1 calc R . .
H21 H 0.6956 0.4621 0.2563 0.062 Uiso 1 1 calc R . .
Re1 Re 0.6667 0.3333 0.5296(2) 0.0776(7) Uani 1 3 d SD . .
O3 O 0.6667 0.3333 0.629(3) 0.18(3) Uani 1 3 d S A .
O4 O 0.720(2) 0.463(2) 0.500(4) 0.17(3) Uani 0.60 1 d PD A 1
O5 O 0.637(8) 0.429(7) 0.489(5) 0.18(5) Uani 0.40 1 d PD A 2
O6 O 0.8941(15) 0.6502(15) 0.5029(12) 0.078(6) Uani 1 1 d 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'
O O 0.0106 0.0060 '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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
_geom_angle_publ_flag
N2 Co1 N5 92.2(6) . . ?
N2 Co1 N3 84.5(6) . . ?
N5 Co1 N3 91.4(6) . . ?
N2 Co1 N4 90.9(7) . . ?
N5 Co1 N4 84.8(6) . . ?
N3 Co1 N4 174.0(7) . . ?
N2 Co1 N1 175.3(6) . . ?
N5 Co1 N1 89.7(6) . . ?
N3 Co1 N1 91.2(6) . . ?
N4 Co1 N1 93.5(7) . . ?
N2 Co1 S1 91.2(4) . . ?
N5 Co1 S1 174.8(5) . . ?
N3 Co1 S1 92.8(4) . . ?
N4 Co1 S1 91.3(5) . . ?
N1 Co1 S1 87.2(4) . . ?
S1 Cu1 S1 109.54(14) 5_675 . ?
S1 Cu1 S1 109.54(14) 5_675 3_765 ?
S1 Cu1 S1 109.54(14) . 3_765 ?
S1 Cu1 Cl1 109.41(14) 5_675 . ?
S1 Cu1 Cl1 109.41(14) . . ?
S1 Cu1 Cl1 109.41(14) 3_765 . ?
O1 Cd1 Cl5 131.8(3) . . ?
O1 Cd1 Cl4 93.2(3) . . ?
Cl5 Cd1 Cl4 99.6(2) . . ?
O1 Cd1 O1 139.7(5) . 3_665 ?
Cl5 Cd1 O1 84.9(3) . 3_665 ?
Cl4 Cd1 O1 96.2(3) . 3_665 ?
O1 Cd1 Cl3 82.3(3) . . ?
Cl5 Cd1 Cl3 95.7(2) . . ?
Cl4 Cd1 Cl3 162.79(19) . . ?
O1 Cd1 Cl3 77.2(3) 3_665 . ?
O1 Cd1 Cl2 73.1(3) . . ?
Cl5 Cd1 Cl2 154.04(15) . . ?
Cl4 Cd1 Cl2 83.80(18) . . ?
O1 Cd1 Cl2 69.1(3) 3_665 . ?
Cl3 Cd1 Cl2 79.00(17) . . ?
Cd1 Cl2 Cd1 81.9(2) . 3_665 ?
Cd1 Cl2 Cd1 81.9(2) . 5_565 ?
Cd1 Cl2 Cd1 81.9(2) 3_665 5_565 ?
Cd1 Cl3 Cd1 85.8(2) 3_665 . ?
Cd1 Cl3 Cd1 85.8(2) 3_665 5_565 ?
Cd1 Cl3 Cd1 85.8(2) . 5_565 ?
C1 S1 Co1 95.8(6) . . ?
C1 S1 Cu1 104.5(6) . . ?
Co1 S1 Cu1 117.24(19) . . ?
C3 O1 Cd1 106.7(11) . . ?
C3 O1 Cd1 138.4(11) . 5_565 ?
Cd1 O1 Cd1 96.9(4) . 5_565 ?
C2 N1 Co1 116.6(10) . . ?
C4 N2 Co1 109.4(12) . . ?
C5 N3 Co1 110.4(12) . . ?
C6 N4 Co1 107.4(12) . . ?
C7 N5 Co1 108.6(11) . . ?
C2 C1 S1 108.1(11) . . ?
N1 C2 C1 109.2(14) . . ?
N1 C2 C3 110.7(12) . . ?
C1 C2 C3 110.0(12) . . ?
O1 C3 O2 124.9(16) . . ?
O1 C3 C2 117.8(14) . . ?
O2 C3 C2 117.4(14) . . ?
C5 C4 N2 107.7(16) . . ?
C4 C5 N3 107.4(17) . . ?
C7 C6 N4 107.7(17) . . ?
C6 C7 N5 110.2(16) . . ?
O3 Re1 O4 107(2) . 5_665 ?
O3 Re1 O4 107(2) . 3_655 ?
O4 Re1 O4 112(2) 5_665 3_655 ?
O3 Re1 O4 107(2) . . ?
O4 Re1 O4 112(2) 5_665 . ?
O4 Re1 O4 112(2) 3_655 . ?
O3 Re1 O5 112(3) . 5_665 ?
O4 Re1 O5 35(3) 5_665 5_665 ?
O4 Re1 O5 135(3) 3_655 5_665 ?
O4 Re1 O5 77(4) . 5_665 ?
O3 Re1 O5 112(3) . 3_655 ?
O4 Re1 O5 77(4) 5_665 3_655 ?
O4 Re1 O5 35(4) 3_655 3_655 ?
O4 Re1 O5 135(3) . 3_655 ?
O5 Re1 O5 106(3) 5_665 3_655 ?
O3 Re1 O5 112(3) . . ?
O4 Re1 O5 135(3) 5_665 . ?
O4 Re1 O5 77(4) 3_655 . ?
O4 Re1 O5 35(3) . . ?
O5 Re1 O5 106(3) 5_665 . ?
O5 Re1 O5 106(3) 3_655 . ?
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
Co1 N2 1.972(16) . ?
Co1 N5 1.975(14) . ?
Co1 N3 1.981(12) . ?
Co1 N4 1.984(14) . ?
Co1 N1 1.991(15) . ?
Co1 S1 2.264(4) . ?
Cu1 S1 2.327(4) 5_675 ?
Cu1 S1 2.327(4) . ?
Cu1 S1 2.327(4) 3_765 ?
Cu1 Cl1 2.366(9) . ?
Cd1 O1 2.293(11) . ?
Cd1 Cl5 2.464(6) . ?
Cd1 Cl4 2.536(5) . ?
Cd1 O1 2.582(12) 3_665 ?
Cd1 Cl3 2.685(5) . ?
Cd1 Cl2 2.787(6) . ?
Cl2 Cd1 2.787(6) 3_665 ?
Cl2 Cd1 2.787(6) 5_565 ?
Cl3 Cd1 2.685(5) 3_665 ?
Cl3 Cd1 2.685(5) 5_565 ?
S1 C1 1.838(17) . ?
O1 C3 1.25(2) . ?
O1 Cd1 2.582(12) 5_565 ?
O2 C3 1.25(2) . ?
N1 C2 1.49(2) . ?
N2 C4 1.50(3) . ?
N3 C5 1.48(2) . ?
N4 C6 1.50(3) . ?
N5 C7 1.49(3) . ?
C1 C2 1.51(2) . ?
C2 C3 1.57(2) . ?
C4 C5 1.48(3) . ?
C6 C7 1.41(4) . ?
Re1 O3 1.61(5) . ?
Re1 O4 1.66(3) 5_665 ?
Re1 O4 1.66(3) 3_655 ?
Re1 O4 1.66(3) . ?
Re1 O5 1.72(3) 5_665 ?
Re1 O5 1.72(3) 3_655 ?
Re1 O5 1.72(3) . ?
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
N1 H1 Cl4 0.90 2.85 3.659(15) 149.7 5_565
N1 H2 O4 0.90 2.35 3.20(4) 157.5 .
N1 H2 O5 0.90 2.42 3.10(5) 133.6 .
N1 H2 O6 0.90 2.43 3.14(2) 136.1 .
N2 H3 Cl1 0.90 2.49 3.379(15) 169.9 .
N2 H4 O2 0.90 2.26 3.05(2) 146.6 2_654
N3 H5 Cl4 0.90 2.63 3.492(16) 160.2 5_565
N3 H5 Cl2 0.90 2.89 3.428(14) 119.7 .
N3 H6 O1 0.90 2.39 2.87(2) 113.7 .
N3 H6 Cl4 0.90 2.76 3.566(14) 149.6 .
N4 H7 S1 0.90 2.85 3.496(17) 129.6 3_765
N4 H8 O6 0.90 2.14 3.04(3) 172.4 .
N5 H9 Cl4 0.90 2.39 3.241(15) 157.6 5_565
N5 H10 Cl5 0.90 2.45 3.311(17) 160.6 2_654
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
O1 Cd1 Cl2 Cd1 126.7(3) . . . 3_665 ?
Cl5 Cd1 Cl2 Cd1 -38.9(5) . . . 3_665 ?
Cl4 Cd1 Cl2 Cd1 -138.03(14) . . . 3_665 ?
O1 Cd1 Cl2 Cd1 -38.9(3) 3_665 . . 3_665 ?
Cl3 Cd1 Cl2 Cd1 41.47(8) . . . 3_665 ?
O1 Cd1 Cl2 Cd1 43.7(3) . . . 5_565 ?
Cl5 Cd1 Cl2 Cd1 -121.8(4) . . . 5_565 ?
Cl4 Cd1 Cl2 Cd1 139.03(14) . . . 5_565 ?
O1 Cd1 Cl2 Cd1 -121.9(3) 3_665 . . 5_565 ?
Cl3 Cd1 Cl2 Cd1 -41.47(8) . . . 5_565 ?
O1 Cd1 Cl3 Cd1 -117.2(3) . . . 3_665 ?
Cl5 Cd1 Cl3 Cd1 111.27(18) . . . 3_665 ?
Cl4 Cd1 Cl3 Cd1 -41.3(4) . . . 3_665 ?
O1 Cd1 Cl3 Cd1 27.8(3) 3_665 . . 3_665 ?
Cl2 Cd1 Cl3 Cd1 -43.03(9) . . . 3_665 ?
O1 Cd1 Cl3 Cd1 -31.1(3) . . . 5_565 ?
Cl5 Cd1 Cl3 Cd1 -162.67(17) . . . 5_565 ?
Cl4 Cd1 Cl3 Cd1 44.7(4) . . . 5_565 ?
O1 Cd1 Cl3 Cd1 113.9(3) 3_665 . . 5_565 ?
Cl2 Cd1 Cl3 Cd1 43.03(9) . . . 5_565 ?
N2 Co1 S1 C1 -164.8(7) . . . . ?
N3 Co1 S1 C1 110.6(7) . . . . ?
N4 Co1 S1 C1 -73.9(8) . . . . ?
N1 Co1 S1 C1 19.5(7) . . . . ?
N2 Co1 S1 Cu1 -55.3(5) . . . . ?
N3 Co1 S1 Cu1 -139.9(5) . . . . ?
N4 Co1 S1 Cu1 35.7(6) . . . . ?
N1 Co1 S1 Cu1 129.1(5) . . . . ?
S1 Cu1 S1 C1 -84.5(6) 5_675 . . . ?
S1 Cu1 S1 C1 35.7(6) 3_765 . . . ?
Cl1 Cu1 S1 C1 155.6(6) . . . . ?
S1 Cu1 S1 Co1 171.09(17) 5_675 . . . ?
S1 Cu1 S1 Co1 -68.7(3) 3_765 . . . ?
Cl1 Cu1 S1 Co1 51.2(2) . . . . ?
Cl5 Cd1 O1 C3 -21.8(12) . . . . ?
Cl4 Cd1 O1 C3 84.1(10) . . . . ?
O1 Cd1 O1 C3 -172.4(8) 3_665 . . . ?
Cl3 Cd1 O1 C3 -112.6(10) . . . . ?
Cl2 Cd1 O1 C3 166.6(11) . . . . ?
Cl5 Cd1 O1 Cd1 123.5(4) . . . 5_565 ?
Cl4 Cd1 O1 Cd1 -130.6(3) . . . 5_565 ?
O1 Cd1 O1 Cd1 -27.0(10) 3_665 . . 5_565 ?
Cl3 Cd1 O1 Cd1 32.7(3) . . . 5_565 ?
Cl2 Cd1 O1 Cd1 -48.1(3) . . . 5_565 ?
N5 Co1 N1 C2 -178.8(11) . . . . ?
N3 Co1 N1 C2 -87.4(11) . . . . ?
N4 Co1 N1 C2 96.4(11) . . . . ?
S1 Co1 N1 C2 5.3(10) . . . . ?
N5 Co1 N2 C4 106.0(12) . . . . ?
N3 Co1 N2 C4 14.8(12) . . . . ?
N4 Co1 N2 C4 -169.2(13) . . . . ?
S1 Co1 N2 C4 -77.8(12) . . . . ?
N2 Co1 N3 C5 12.4(12) . . . . ?
N5 Co1 N3 C5 -79.7(13) . . . . ?
N1 Co1 N3 C5 -169.4(12) . . . . ?
S1 Co1 N3 C5 103.4(12) . . . . ?
N2 Co1 N4 C6 -74.0(15) . . . . ?
N5 Co1 N4 C6 18.2(15) . . . . ?
N1 Co1 N4 C6 107.6(15) . . . . ?
S1 Co1 N4 C6 -165.2(14) . . . . ?
N2 Co1 N5 C7 98.5(14) . . . . ?
N3 Co1 N5 C7 -176.9(14) . . . . ?
N4 Co1 N5 C7 7.8(14) . . . . ?
N1 Co1 N5 C7 -85.7(14) . . . . ?
Co1 S1 C1 C2 -43.1(11) . . . . ?
Cu1 S1 C1 C2 -163.2(10) . . . . ?
Co1 N1 C2 C1 -35.4(15) . . . . ?
Co1 N1 C2 C3 85.9(14) . . . . ?
S1 C1 C2 N1 52.6(14) . . . . ?
S1 C1 C2 C3 -69.1(16) . . . . ?
Cd1 O1 C3 O2 8(2) . . . . ?
Cd1 O1 C3 O2 -113.4(18) 5_565 . . . ?
Cd1 O1 C3 C2 -171.3(11) . . . . ?
Cd1 O1 C3 C2 67(2) 5_565 . . . ?
N1 C2 C3 O1 13(2) . . . . ?
C1 C2 C3 O1 133.9(15) . . . . ?
N1 C2 C3 O2 -166.6(14) . . . . ?
C1 C2 C3 O2 -46(2) . . . . ?
Co1 N2 C4 C5 -39.2(18) . . . . ?
N2 C4 C5 N3 49(2) . . . . ?
Co1 N3 C5 C4 -37.2(19) . . . . ?
Co1 N4 C6 C7 -42(2) . . . . ?
N4 C6 C7 N5 51(2) . . . . ?
Co1 N5 C7 C6 -35(2) . . . . ?
