#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:29:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179751 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/47/7004745.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_7004745
loop_
_publ_author_name
'Wang, Wen-Zhen'
'Ismayilov, Rayyat Huseyn'
'Wang, Rui-Ren'
'Huang, Yi-Lin'
'Yeh, Chen-Yu'
'Lee, Gene-Hsiang'
'Peng, Shie-Ming'
_publ_section_title
;
 First stable reduced form of [Co5]+10: fine tuning of linear
 pentacobalt(ii) complexes containing delocalized metal--metal bonds
 through ligand modification
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              6808
_journal_page_last               6816
_journal_paper_doi               10.1039/b811520f
_journal_year                    2008
_chemical_formula_sum            'C82 H64 Cl8 Co5 N30 P S2'
_chemical_formula_weight         2142.97
_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                98.6556(15)
_cell_angle_beta                 93.3470(14)
_cell_angle_gamma                90.8523(16)
_cell_formula_units_Z            2
_cell_length_a                   14.8060(4)
_cell_length_b                   16.8778(4)
_cell_length_c                   17.7166(5)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.00
_cell_volume                     4368.1(2)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_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      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_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  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            65266
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.306
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            deep-brown
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.710
_refine_diff_density_min         -1.815
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1147
_refine_ls_number_reflns         19869
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1405
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0907P)²+18.2139P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1868
_refine_ls_wR_factor_ref         0.2226
_reflns_number_gt                10995
_reflns_number_total             19869
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811520f.txt
_cod_data_source_block           ic13154
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_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-1
_cod_database_code               7004745
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.76165(5) 0.23746(5) 0.66658(4) 0.02639(19) Uani 1 1 d . . .
Co2 Co 0.75325(5) 0.26651(4) 0.54464(4) 0.02268(18) Uani 1 1 d . . .
Co3 Co 0.74398(5) 0.29625(4) 0.42439(4) 0.02144(17) Uani 1 1 d . . .
Co4 Co 0.73448(5) 0.32607(4) 0.30417(4) 0.02268(18) Uani 1 1 d . . .
Co5 Co 0.72436(5) 0.35592(5) 0.18268(4) 0.02547(19) Uani 1 1 d . . .
S1 S 0.7681(2) 0.17101(17) 0.92306(13) 0.0935(10) Uani 1 1 d . . .
S2 S 0.70679(13) 0.44351(13) -0.06655(10) 0.0516(5) Uani 1 1 d . . .
N1 N 0.6932(3) 0.1384(3) 0.6240(3) 0.0323(11) Uani 1 1 d . . .
N2 N 0.6493(3) 0.1971(3) 0.5183(3) 0.0254(10) Uani 1 1 d . . .
N3 N 0.6191(3) 0.2582(3) 0.4121(3) 0.0250(10) Uani 1 1 d . . .
N4 N 0.6056(3) 0.3241(3) 0.3069(3) 0.0250(10) Uani 1 1 d . . .
N5 N 0.6049(3) 0.3991(3) 0.2082(3) 0.0253(10) Uani 1 1 d . . .
N6 N 0.6049(4) -0.0057(3) 0.5601(3) 0.0490(15) Uani 1 1 d . . .
N7 N 0.4375(3) 0.4633(3) 0.2486(3) 0.0337(12) Uani 1 1 d . . .
N8 N 0.8288(3) 0.3399(3) 0.6930(3) 0.0264(10) Uani 1 1 d . . .
N9 N 0.8575(3) 0.3369(3) 0.5662(3) 0.0247(10) Uani 1 1 d . . .
N10 N 0.8689(3) 0.3330(3) 0.4367(3) 0.0238(10) Uani 1 1 d . . .
N11 N 0.8648(3) 0.3255(3) 0.3049(3) 0.0258(10) Uani 1 1 d . . .
N12 N 0.8419(3) 0.3038(3) 0.1734(3) 0.0278(11) Uani 1 1 d . . .
N13 N 0.9253(4) 0.4860(3) 0.7339(3) 0.0371(12) Uani 1 1 d . . .
N14 N 0.9937(3) 0.2088(3) 0.1593(3) 0.0392(13) Uani 1 1 d . . .
N15 N 0.6461(3) 0.2917(3) 0.6773(3) 0.0299(11) Uani 1 1 d . . .
N16 N 0.6751(3) 0.3535(3) 0.5735(3) 0.0243(10) Uani 1 1 d . . .
N17 N 0.7041(3) 0.4023(3) 0.4621(2) 0.0225(10) Uani 1 1 d . . .
N18 N 0.7379(3) 0.4373(3) 0.3461(3) 0.0252(10) Uani 1 1 d . . .
N19 N 0.7810(3) 0.4603(3) 0.2281(3) 0.0281(11) Uani 1 1 d . . .
N20 N 0.4695(3) 0.3510(3) 0.6801(3) 0.0398(13) Uani 1 1 d . . .
N21 N 0.8599(4) 0.6096(3) 0.2922(3) 0.0399(13) Uani 1 1 d . . .
N22 N 0.8758(3) 0.1857(3) 0.6381(3) 0.0294(11) Uani 1 1 d . . .
N23 N 0.8304(3) 0.1793(3) 0.5108(3) 0.0262(10) Uani 1 1 d . . .
N24 N 0.7821(3) 0.1887(3) 0.3860(3) 0.0259(10) Uani 1 1 d . . .
N25 N 0.7284(3) 0.2135(3) 0.2670(3) 0.0254(10) Uani 1 1 d . . .
N26 N 0.6684(3) 0.2486(3) 0.1537(3) 0.0276(11) Uani 1 1 d . . .
N27 N 1.0427(4) 0.1209(4) 0.6011(3) 0.0446(14) Uani 1 1 d . . .
N28 N 0.5762(4) 0.1005(3) 0.1160(3) 0.0390(13) Uani 1 1 d . . .
N29 N 0.7714(3) 0.2104(3) 0.7790(3) 0.0300(11) Uani 1 1 d . . .
N30 N 0.7154(3) 0.3847(3) 0.0717(3) 0.0288(11) Uani 1 1 d . . .
C1 C 0.6926(5) 0.0737(4) 0.6599(4) 0.0438(17) Uani 1 1 d . . .
H1 H 0.7242 0.0766 0.7085 0.053 Uiso 1 1 calc R . .
C2 C 0.6481(6) 0.0041(4) 0.6287(4) 0.054(2) Uani 1 1 d . . .
H2 H 0.6481 -0.0393 0.6572 0.065 Uiso 1 1 calc R . .
C3 C 0.6034(4) 0.0574(4) 0.5235(4) 0.0384(15) Uani 1 1 d . . .
H3 H 0.5726 0.0525 0.4744 0.046 Uiso 1 1 calc R . .
C4 C 0.6459(4) 0.1318(4) 0.5548(3) 0.0301(13) Uani 1 1 d . . .
C5 C 0.5867(4) 0.2108(3) 0.4609(3) 0.0256(12) Uani 1 1 d . . .
C6 C 0.4971(4) 0.1857(4) 0.4547(4) 0.0312(13) Uani 1 1 d . . .
H6 H 0.4738 0.1564 0.4913 0.037 Uiso 1 1 calc R . .
C7 C 0.4414(4) 0.2040(4) 0.3938(3) 0.0321(14) Uani 1 1 d . . .
H7 H 0.3799 0.1861 0.3883 0.039 Uiso 1 1 calc R . .
C8 C 0.4749(4) 0.2481(3) 0.3413(3) 0.0291(13) Uani 1 1 d . . .
H8 H 0.4382 0.2580 0.2981 0.035 Uiso 1 1 calc R . .
C9 C 0.5633(4) 0.2774(3) 0.3533(3) 0.0257(12) Uani 1 1 d . . .
C10 C 0.5598(4) 0.3744(3) 0.2665(3) 0.0249(12) Uani 1 1 d . . .
C11 C 0.4764(4) 0.4092(4) 0.2845(3) 0.0299(13) Uani 1 1 d . . .
H11 H 0.4464 0.3923 0.3255 0.036 Uiso 1 1 calc R . .
C12 C 0.4836(4) 0.4861(4) 0.1910(4) 0.0364(15) Uani 1 1 d . . .
H12 H 0.4581 0.5250 0.1630 0.044 Uiso 1 1 calc R . .
C13 C 0.5649(4) 0.4551(4) 0.1720(3) 0.0302(13) Uani 1 1 d . . .
H13 H 0.5946 0.4738 0.1317 0.036 Uiso 1 1 calc R . .
C14 C 0.8340(4) 0.3799(4) 0.7661(3) 0.0318(14) Uani 1 1 d . . .
H14 H 0.8032 0.3583 0.8042 0.038 Uiso 1 1 calc R . .
C15 C 0.8820(5) 0.4498(4) 0.7857(4) 0.0387(15) Uani 1 1 d . . .
H15 H 0.8856 0.4744 0.8377 0.046 Uiso 1 1 calc R . .
C16 C 0.9189(4) 0.4488(4) 0.6638(3) 0.0302(13) Uani 1 1 d . . .
H16 H 0.9479 0.4729 0.6262 0.036 Uiso 1 1 calc R . .
C17 C 0.8716(4) 0.3748(4) 0.6397(3) 0.0294(13) Uani 1 1 d . . .
C18 C 0.9115(4) 0.3487(3) 0.5072(3) 0.0254(12) Uani 1 1 d . . .
C19 C 1.0037(4) 0.3688(4) 0.5167(3) 0.0321(14) Uani 1 1 d . . .
H19 H 1.0342 0.3759 0.5660 0.038 Uiso 1 1 calc R . .
C20 C 1.0496(4) 0.3782(4) 0.4529(3) 0.0322(14) Uani 1 1 d . . .
H20 H 1.1118 0.3937 0.4586 0.039 Uiso 1 1 calc R . .
C21 C 1.0060(4) 0.3652(4) 0.3809(4) 0.0311(13) Uani 1 1 d . . .
H21 H 1.0374 0.3731 0.3372 0.037 Uiso 1 1 calc R . .
C22 C 0.9156(4) 0.3403(3) 0.3732(3) 0.0255(12) Uani 1 1 d . . .
C23 C 0.8973(4) 0.2965(3) 0.2368(3) 0.0276(12) Uani 1 1 d . . .
C24 C 0.9754(4) 0.2494(4) 0.2257(4) 0.0355(14) Uani 1 1 d . . .
H24 H 1.0165 0.2471 0.2685 0.043 Uiso 1 1 calc R . .
C25 C 0.9361(4) 0.2151(4) 0.0988(4) 0.0362(15) Uani 1 1 d . . .
H25 H 0.9471 0.1856 0.0502 0.043 Uiso 1 1 calc R . .
C26 C 0.8623(4) 0.2629(4) 0.1056(3) 0.0315(13) Uani 1 1 d . . .
H26 H 0.8245 0.2673 0.0613 0.038 Uiso 1 1 calc R . .
C27 C 0.5864(4) 0.2737(4) 0.7291(4) 0.0366(15) Uani 1 1 d . . .
H27 H 0.6049 0.2400 0.7652 0.044 Uiso 1 1 calc R . .
C28 C 0.5017(4) 0.3032(4) 0.7297(4) 0.0414(16) Uani 1 1 d . . .
H28 H 0.4630 0.2894 0.7668 0.050 Uiso 1 1 calc R . .
C29 C 0.5269(4) 0.3697(4) 0.6314(4) 0.0342(14) Uani 1 1 d . . .
H29 H 0.5071 0.4038 0.5960 0.041 Uiso 1 1 calc R . .
C30 C 0.6167(4) 0.3421(3) 0.6286(3) 0.0272(12) Uani 1 1 d . . .
C31 C 0.6700(4) 0.4171(3) 0.5332(3) 0.0245(12) Uani 1 1 d . . .
C32 C 0.6391(4) 0.4919(3) 0.5607(3) 0.0283(13) Uani 1 1 d . . .
H32 H 0.6198 0.5028 0.6113 0.034 Uiso 1 1 calc R . .
C33 C 0.6361(4) 0.5515(4) 0.5143(3) 0.0314(13) Uani 1 1 d . . .
H33 H 0.6122 0.6023 0.5322 0.038 Uiso 1 1 calc R . .
C34 C 0.6686(4) 0.5360(3) 0.4407(3) 0.0293(13) Uani 1 1 d . . .
H34 H 0.6659 0.5755 0.4078 0.035 Uiso 1 1 calc R . .
C35 C 0.7048(4) 0.4616(3) 0.4175(3) 0.0258(12) Uani 1 1 d . . .
C36 C 0.7758(4) 0.4887(3) 0.3037(3) 0.0277(13) Uani 1 1 d . . .
C37 C 0.8163(4) 0.5647(4) 0.3330(4) 0.0323(14) Uani 1 1 d . . .
H37 H 0.8115 0.5844 0.3858 0.039 Uiso 1 1 calc R . .
C38 C 0.8635(4) 0.5797(4) 0.2172(4) 0.0389(15) Uani 1 1 d . . .
H38 H 0.8930 0.6105 0.1848 0.047 Uiso 1 1 calc R . .
C39 C 0.8265(4) 0.5073(4) 0.1867(4) 0.0335(14) Uani 1 1 d . . .
H39 H 0.8328 0.4886 0.1340 0.040 Uiso 1 1 calc R . .
C40 C 0.9426(4) 0.1776(4) 0.6924(4) 0.0390(16) Uani 1 1 d . . .
H40 H 0.9321 0.1944 0.7447 0.047 Uiso 1 1 calc R . .
C41 C 1.0235(5) 0.1462(4) 0.6740(4) 0.0476(18) Uani 1 1 d . . .
H41 H 1.0682 0.1420 0.7138 0.057 Uiso 1 1 calc R . .
C42 C 0.9791(4) 0.1288(4) 0.5481(4) 0.0392(16) Uani 1 1 d . . .
H42 H 0.9912 0.1114 0.4962 0.047 Uiso 1 1 calc R . .
C43 C 0.8928(4) 0.1619(4) 0.5639(3) 0.0297(13) Uani 1 1 d . . .
C44 C 0.8224(4) 0.1436(3) 0.4358(3) 0.0276(13) Uani 1 1 d . . .
C45 C 0.8456(4) 0.0645(4) 0.4090(4) 0.0358(15) Uani 1 1 d . . .
H45 H 0.8706 0.0314 0.4433 0.043 Uiso 1 1 calc R . .
C46 C 0.8316(5) 0.0358(4) 0.3325(4) 0.0414(16) Uani 1 1 d . . .
H46 H 0.8485 -0.0173 0.3139 0.050 Uiso 1 1 calc R . .
C47 C 0.7933(4) 0.0827(4) 0.2818(4) 0.0360(15) Uani 1 1 d . . .
H47 H 0.7857 0.0630 0.2287 0.043 Uiso 1 1 calc R . .
C48 C 0.7664(4) 0.1592(3) 0.3108(3) 0.0281(13) Uani 1 1 d . . .
C49 C 0.6776(4) 0.1917(3) 0.2009(3) 0.0284(13) Uani 1 1 d . . .
C50 C 0.6278(4) 0.1187(4) 0.1803(4) 0.0332(14) Uani 1 1 d . . .
H50 H 0.6316 0.0805 0.2145 0.040 Uiso 1 1 calc R . .
C51 C 0.5726(5) 0.1567(4) 0.0696(4) 0.0418(16) Uani 1 1 d . . .
H51 H 0.5375 0.1458 0.0224 0.050 Uiso 1 1 calc R . .
C52 C 0.6175(4) 0.2289(4) 0.0880(3) 0.0336(14) Uani 1 1 d . . .
H52 H 0.6126 0.2665 0.0531 0.040 Uiso 1 1 calc R . .
C53 C 0.7692(5) 0.1946(4) 0.8360(4) 0.0452(17) Uani 1 1 d . . .
C54 C 0.7122(4) 0.4079(4) 0.0153(4) 0.0335(14) Uani 1 1 d . . .
P1 P 0.21504(11) 0.26711(10) 0.05072(9) 0.0334(4) Uani 1 1 d . . .
C55 C 0.1081(4) 0.3016(4) 0.0176(4) 0.0351(14) Uani 1 1 d . . .
C56 C 0.0683(4) 0.3677(4) 0.0593(4) 0.0458(17) Uani 1 1 d . . .
H56 H 0.0954 0.3925 0.1071 0.055 Uiso 1 1 calc R . .
C57 C -0.0118(5) 0.3966(5) 0.0296(5) 0.053(2) Uani 1 1 d . . .
H57 H -0.0382 0.4426 0.0566 0.064 Uiso 1 1 calc R . .
C58 C -0.0521(5) 0.3602(5) -0.0367(5) 0.057(2) Uani 1 1 d . . .
H58 H -0.1075 0.3798 -0.0555 0.069 Uiso 1 1 calc R . .
C59 C -0.0139(5) 0.2949(6) -0.0777(4) 0.058(2) Uani 1 1 d . . .
H59 H -0.0429 0.2705 -0.1248 0.070 Uiso 1 1 calc R . .
C60 C 0.0660(5) 0.2642(5) -0.0513(4) 0.0481(18) Uani 1 1 d . . .
H60 H 0.0917 0.2185 -0.0796 0.058 Uiso 1 1 calc R . .
C61 C 0.3030(4) 0.3177(4) 0.0096(4) 0.0341(14) Uani 1 1 d . . .
C62 C 0.2863(4) 0.3400(4) -0.0625(4) 0.0415(16) Uani 1 1 d . . .
H62 H 0.2267 0.3353 -0.0859 0.050 Uiso 1 1 calc R . .
C63 C 0.3561(5) 0.3688(5) -0.0998(4) 0.0496(19) Uani 1 1 d . . .
H63 H 0.3454 0.3822 -0.1497 0.060 Uiso 1 1 calc R . .
C64 C 0.4417(5) 0.3777(4) -0.0640(4) 0.0496(18) Uani 1 1 d . . .
H64 H 0.4897 0.3979 -0.0895 0.060 Uiso 1 1 calc R . .
C65 C 0.4585(4) 0.3583(4) 0.0072(4) 0.0446(17) Uani 1 1 d . . .
H65 H 0.5176 0.3660 0.0313 0.053 Uiso 1 1 calc R . .
C66 C 0.3888(4) 0.3270(4) 0.0452(4) 0.0401(16) Uani 1 1 d . . .
H66 H 0.4005 0.3124 0.0945 0.048 Uiso 1 1 calc R . .
C67 C 0.2224(4) 0.1620(4) 0.0179(4) 0.0372(15) Uani 1 1 d . . .
C68 C 0.2955(5) 0.1332(4) -0.0232(4) 0.0465(17) Uani 1 1 d . . .
H68 H 0.3404 0.1694 -0.0350 0.056 Uiso 1 1 calc R . .
C69 C 0.3026(6) 0.0512(5) -0.0468(5) 0.058(2) Uani 1 1 d . . .
H69 H 0.3530 0.0312 -0.0739 0.069 Uiso 1 1 calc R . .
C70 C 0.2360(5) -0.0014(4) -0.0307(4) 0.0499(18) Uani 1 1 d . . .
H70 H 0.2406 -0.0573 -0.0473 0.060 Uiso 1 1 calc R . .
C71 C 0.1636(5) 0.0272(5) 0.0092(4) 0.0515(19) Uani 1 1 d . . .
H71 H 0.1186 -0.0092 0.0205 0.062 Uiso 1 1 calc R . .
C72 C 0.1553(5) 0.1091(4) 0.0331(4) 0.0407(16) Uani 1 1 d . . .
H72 H 0.1043 0.1287 0.0596 0.049 Uiso 1 1 calc R . .
C73 C 0.2289(4) 0.2880(4) 0.1529(4) 0.0365(15) Uani 1 1 d . . .
C74 C 0.2188(4) 0.2268(4) 0.1975(4) 0.0417(16) Uani 1 1 d . . .
H74 H 0.2090 0.1728 0.1736 0.050 Uiso 1 1 calc R . .
C75 C 0.2232(4) 0.2450(6) 0.2752(4) 0.052(2) Uani 1 1 d . . .
H75 H 0.2172 0.2034 0.3053 0.063 Uiso 1 1 calc R . .
C76 C 0.2361(4) 0.3234(6) 0.3107(4) 0.052(2) Uani 1 1 d . . .
H76 H 0.2370 0.3353 0.3649 0.063 Uiso 1 1 calc R . .
C77 C 0.2476(4) 0.3839(5) 0.2685(4) 0.0491(19) Uani 1 1 d . . .
H77 H 0.2573 0.4376 0.2932 0.059 Uiso 1 1 calc R . .
C78 C 0.2450(4) 0.3661(5) 0.1886(4) 0.0442(17) Uani 1 1 d . . .
H78 H 0.2542 0.4076 0.1589 0.053 Uiso 1 1 calc R . .
C79 C 0.5883(6) 0.0209(5) 0.8738(6) 0.074(3) Uani 1 1 d . . .
H79A H 0.5540 0.0020 0.9142 0.089 Uiso 1 1 calc R . .
H79B H 0.6373 0.0578 0.8992 0.089 Uiso 1 1 calc R . .
Cl1 Cl 0.6363(2) -0.0614(2) 0.81984(16) 0.0993(9) Uani 1 1 d . . .
Cl2 Cl 0.5161(2) 0.07350(19) 0.8191(2) 0.1093(10) Uani 1 1 d . . .
C80 C 0.2812(8) 0.1945(8) 0.6898(8) 0.134(5) Uani 1 1 d D . .
H80A H 0.3029 0.2504 0.6906 0.160 Uiso 1 1 calc R . .
H80B H 0.2222 0.1873 0.6600 0.160 Uiso 1 1 calc R . .
Cl3 Cl 0.2677(3) 0.1780(3) 0.7796(2) 0.1608(17) Uani 1 1 d . . .
Cl4 Cl 0.3601(3) 0.1274(3) 0.6451(3) 0.1726(19) Uani 1 1 d D . .
C81 C 0.2104(9) 0.1256(7) 0.4826(7) 0.109(4) Uiso 1 1 d . . .
H81A H 0.2726 0.1052 0.4787 0.131 Uiso 1 1 calc R . .
H81B H 0.1868 0.1094 0.5293 0.131 Uiso 1 1 calc R . .
Cl5 Cl 0.2176(4) 0.2297(3) 0.4955(3) 0.221(3) Uani 1 1 d . . .
Cl6 Cl 0.1467(4) 0.0792(4) 0.4071(3) 0.198(2) Uiso 1 1 d . . .
C82 C 1.0336(7) 1.0312(9) 0.2105(6) 0.151(6) Uani 1 1 d D . .
H82A H 1.0264 1.0845 0.1944 0.181 Uiso 0.67 1 calc PR A 1
H82B H 1.0148 1.0350 0.2637 0.181 Uiso 0.67 1 calc PR A 1
H82C H 1.0822 1.0408 0.1767 0.181 Uiso 0.33 1 calc PR A 2
H82D H 0.9973 1.0802 0.2146 0.181 Uiso 0.33 1 calc PR A 2
Cl7 Cl 0.9662(3) 0.9648(3) 0.15383(17) 0.1288(13) Uani 1 1 d . B .
Cl8 Cl 1.1408(3) 1.0072(3) 0.2087(2) 0.0962(13) Uani 0.67 1 d PD B 1
Cl8' Cl 1.0877(6) 1.0407(5) 0.2937(5) 0.091(2) Uiso 0.33 1 d PD . 2
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'
P P 0.1023 0.0942 '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'
Co Co 0.3494 0.9721 '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
N15 Co1 N8 91.2(2) . . ?
N15 Co1 N1 88.2(2) . . ?
N8 Co1 N1 171.22(19) . . ?
N15 Co1 N22 170.59(19) . . ?
N8 Co1 N22 88.8(2) . . ?
N1 Co1 N22 90.4(2) . . ?
N15 Co1 N29 95.04(19) . . ?
N8 Co1 N29 94.38(19) . . ?
N1 Co1 N29 94.40(19) . . ?
N22 Co1 N29 94.35(19) . . ?
N15 Co1 Co2 85.71(14) . . ?
N8 Co1 Co2 85.33(13) . . ?
N1 Co1 Co2 85.89(14) . . ?
N22 Co1 Co2 84.90(14) . . ?
N29 Co1 Co2 179.20(14) . . ?
N16 Co2 N2 89.3(2) . . ?
N16 Co2 N9 90.9(2) . . ?
N2 Co2 N9 177.39(19) . . ?
N16 Co2 N23 177.35(19) . . ?
N2 Co2 N23 90.0(2) . . ?
N9 Co2 N23 89.7(2) . . ?
N16 Co2 Co3 88.52(13) . . ?
N2 Co2 Co3 88.82(14) . . ?
N9 Co2 Co3 88.59(13) . . ?
N23 Co2 Co3 88.92(14) . . ?
N16 Co2 Co1 90.91(13) . . ?
N2 Co2 Co1 91.16(14) . . ?
N9 Co2 Co1 91.44(13) . . ?
N23 Co2 Co1 91.66(14) . . ?
Co3 Co2 Co1 179.42(5) . . ?
N17 Co3 N10 91.03(19) . . ?
N17 Co3 N3 89.56(19) . . ?
N10 Co3 N3 179.38(19) . . ?
N17 Co3 N24 179.05(19) . . ?
N10 Co3 N24 89.92(19) . . ?
N3 Co3 N24 89.50(19) . . ?
N17 Co3 Co2 90.25(13) . . ?
N10 Co3 Co2 89.94(13) . . ?
N3 Co3 Co2 89.83(13) . . ?
N24 Co3 Co2 89.84(14) . . ?
N17 Co3 Co4 89.69(13) . . ?
N10 Co3 Co4 90.13(13) . . ?
N3 Co3 Co4 90.10(13) . . ?
N24 Co3 Co4 90.22(14) . . ?
Co2 Co3 Co4 179.91(5) . . ?
N18 Co4 N4 90.0(2) . . ?
N18 Co4 N25 177.0(2) . . ?
N4 Co4 N25 88.6(2) . . ?
N18 Co4 N11 90.8(2) . . ?
N4 Co4 N11 177.63(19) . . ?
N25 Co4 N11 90.5(2) . . ?
N18 Co4 Co3 88.92(14) . . ?
N4 Co4 Co3 88.83(13) . . ?
N25 Co4 Co3 88.39(14) . . ?
N11 Co4 Co3 88.93(14) . . ?
N18 Co4 Co5 91.19(14) . . ?
N4 Co4 Co5 90.97(13) . . ?
N25 Co4 Co5 91.50(14) . . ?
N11 Co4 Co5 91.26(14) . . ?
Co3 Co4 Co5 179.78(5) . . ?
N26 Co5 N12 87.00(19) . . ?
N26 Co5 N5 89.64(19) . . ?
N12 Co5 N5 169.90(19) . . ?
N26 Co5 N19 171.21(19) . . ?
N12 Co5 N19 92.7(2) . . ?
N5 Co5 N19 89.17(19) . . ?
N26 Co5 N30 94.97(19) . . ?
N12 Co5 N30 95.56(19) . . ?
N5 Co5 N30 94.22(18) . . ?
N19 Co5 N30 93.80(19) . . ?
N26 Co5 Co4 85.68(14) . . ?
N12 Co5 Co4 84.62(14) . . ?
N5 Co5 Co4 85.63(13) . . ?
N19 Co5 Co4 85.54(14) . . ?
N30 Co5 Co4 179.33(15) . . ?
C1 N1 C4 116.9(5) . . ?
C1 N1 Co1 122.2(4) . . ?
C4 N1 Co1 120.9(4) . . ?
C4 N2 C5 123.5(5) . . ?
C4 N2 Co2 115.9(4) . . ?
C5 N2 Co2 120.4(4) . . ?
C5 N3 C9 119.6(5) . . ?
C5 N3 Co3 120.2(4) . . ?
C9 N3 Co3 120.2(4) . . ?
C10 N4 C9 122.7(5) . . ?
C10 N4 Co4 116.8(4) . . ?
C9 N4 Co4 120.3(3) . . ?
C13 N5 C10 116.7(5) . . ?
C13 N5 Co5 122.6(4) . . ?
C10 N5 Co5 120.6(4) . . ?
C2 N6 C3 116.6(6) . . ?
C11 N7 C12 115.6(5) . . ?
C14 N8 C17 116.9(5) . . ?
C14 N8 Co1 121.0(4) . . ?
C17 N8 Co1 122.1(4) . . ?
C17 N9 C18 124.1(5) . . ?
C17 N9 Co2 116.5(4) . . ?
C18 N9 Co2 119.3(4) . . ?
C18 N10 C22 119.9(5) . . ?
C18 N10 Co3 120.4(4) . . ?
C22 N10 Co3 119.7(4) . . ?
C23 N11 C22 124.9(5) . . ?
C23 N11 Co4 114.2(4) . . ?
C22 N11 Co4 119.9(4) . . ?
C26 N12 C23 118.2(5) . . ?
C26 N12 Co5 119.5(4) . . ?
C23 N12 Co5 121.4(4) . . ?
C16 N13 C15 115.8(5) . . ?
C24 N14 C25 117.4(5) . . ?
C30 N15 C27 116.6(5) . . ?
C30 N15 Co1 121.7(4) . . ?
C27 N15 Co1 121.3(4) . . ?
C30 N16 C31 123.2(5) . . ?
C30 N16 Co2 115.3(4) . . ?
C31 N16 Co2 120.8(4) . . ?
C35 N17 C31 119.6(5) . . ?
C35 N17 Co3 120.9(4) . . ?
C31 N17 Co3 119.4(4) . . ?
C36 N18 C35 123.5(5) . . ?
C36 N18 Co4 116.9(4) . . ?
C35 N18 Co4 119.6(4) . . ?
C39 N19 C36 116.4(5) . . ?
C39 N19 Co5 122.7(4) . . ?
C36 N19 Co5 120.9(4) . . ?
C29 N20 C28 115.5(5) . . ?
C37 N21 C38 115.6(6) . . ?
C43 N22 C40 117.9(5) . . ?
C43 N22 Co1 121.2(4) . . ?
C40 N22 Co1 120.7(4) . . ?
C43 N23 C44 125.4(5) . . ?
C43 N23 Co2 115.1(4) . . ?
C44 N23 Co2 119.4(3) . . ?
C48 N24 C44 121.2(5) . . ?
C48 N24 Co3 119.5(4) . . ?
C44 N24 Co3 119.2(4) . . ?
C49 N25 C48 123.9(5) . . ?
C49 N25 Co4 115.3(4) . . ?
C48 N25 Co4 120.5(4) . . ?
C52 N26 C49 117.4(5) . . ?
C52 N26 Co5 121.5(4) . . ?
C49 N26 Co5 121.0(4) . . ?
C42 N27 C41 116.6(6) . . ?
C50 N28 C51 115.9(6) . . ?
C53 N29 Co1 174.2(5) . . ?
C54 N30 Co5 173.1(5) . . ?
N1 C1 C2 122.0(6) . . ?
N6 C2 C1 122.7(6) . . ?
N6 C3 C4 122.6(6) . . ?
N2 C4 N1 116.0(5) . . ?
N2 C4 C3 124.8(5) . . ?
N1 C4 C3 119.0(5) . . ?
N3 C5 C6 120.9(5) . . ?
N3 C5 N2 113.8(5) . . ?
C6 C5 N2 125.1(5) . . ?
C5 C6 C7 119.0(5) . . ?
C8 C7 C6 120.5(5) . . ?
C7 C8 C9 118.4(5) . . ?
N3 C9 C8 121.3(5) . . ?
N3 C9 N4 113.6(5) . . ?
C8 C9 N4 125.0(5) . . ?
N4 C10 N5 115.4(5) . . ?
N4 C10 C11 125.6(5) . . ?
N5 C10 C11 118.5(5) . . ?
N7 C11 C10 124.4(6) . . ?
N7 C12 C13 122.3(5) . . ?
N5 C13 C12 122.4(6) . . ?
C15 C14 N8 121.8(6) . . ?
C14 C15 N13 122.6(6) . . ?
N13 C16 C17 124.5(6) . . ?
N9 C17 N8 115.0(5) . . ?
N9 C17 C16 126.3(5) . . ?
N8 C17 C16 118.4(5) . . ?
N10 C18 N9 114.2(5) . . ?
N10 C18 C19 121.1(5) . . ?
N9 C18 C19 124.5(5) . . ?
C20 C19 C18 118.6(5) . . ?
C19 C20 C21 120.8(5) . . ?
C20 C21 C22 118.9(5) . . ?
N10 C22 N11 114.8(5) . . ?
N10 C22 C21 120.5(5) . . ?
N11 C22 C21 124.6(5) . . ?
N11 C23 N12 115.7(5) . . ?
N11 C23 C24 126.0(5) . . ?
N12 C23 C24 117.6(5) . . ?
N14 C24 C23 123.4(6) . . ?
N14 C25 C26 121.5(6) . . ?
N12 C26 C25 121.7(6) . . ?
C28 C27 N15 121.3(6) . . ?
N20 C28 C27 123.4(6) . . ?
N20 C29 C30 123.9(6) . . ?
N15 C30 N16 115.0(5) . . ?
N15 C30 C29 119.3(5) . . ?
N16 C30 C29 125.2(5) . . ?
N17 C31 N16 114.3(5) . . ?
N17 C31 C32 120.5(5) . . ?
N16 C31 C32 125.2(5) . . ?
C31 C32 C33 120.0(5) . . ?
C32 C33 C34 119.6(5) . . ?
C35 C34 C33 118.3(5) . . ?
N17 C35 C34 121.7(5) . . ?
N17 C35 N18 113.3(5) . . ?
C34 C35 N18 124.7(5) . . ?
N19 C36 N18 115.6(5) . . ?
N19 C36 C37 118.5(5) . . ?
N18 C36 C37 125.6(5) . . ?
N21 C37 C36 124.4(6) . . ?
C39 C38 N21 122.2(6) . . ?
C38 C39 N19 122.9(6) . . ?
C41 C40 N22 121.9(6) . . ?
N27 C41 C40 122.2(6) . . ?
N27 C42 C43 123.8(6) . . ?
N23 C43 N22 116.9(5) . . ?
N23 C43 C42 125.1(5) . . ?
N22 C43 C42 117.6(5) . . ?
N24 C44 N23 115.3(5) . . ?
N24 C44 C45 119.3(5) . . ?
N23 C44 C45 125.2(5) . . ?
C46 C45 C44 119.0(5) . . ?
C45 C46 C47 121.4(6) . . ?
C46 C47 C48 118.3(6) . . ?
N24 C48 C47 120.7(5) . . ?
N24 C48 N25 114.4(5) . . ?
C47 C48 N25 124.8(5) . . ?
N25 C49 N26 116.2(5) . . ?
N25 C49 C50 125.5(5) . . ?
N26 C49 C50 118.1(5) . . ?
N28 C50 C49 123.9(6) . . ?
N28 C51 C52 122.3(6) . . ?
N26 C52 C51 122.2(6) . . ?
N29 C53 S1 178.8(7) . . ?
N30 C54 S2 178.9(6) . . ?
C67 P1 C73 110.9(3) . . ?
C67 P1 C55 109.4(3) . . ?
C73 P1 C55 110.6(3) . . ?
C67 P1 C61 107.9(3) . . ?
C73 P1 C61 109.7(3) . . ?
C55 P1 C61 108.3(3) . . ?
C60 C55 C56 119.9(6) . . ?
C60 C55 P1 119.8(5) . . ?
C56 C55 P1 120.2(5) . . ?
C57 C56 C55 119.1(7) . . ?
C58 C57 C56 120.7(7) . . ?
C57 C58 C59 120.7(7) . . ?
C58 C59 C60 121.1(7) . . ?
C59 C60 C55 118.6(7) . . ?
C66 C61 C62 120.3(6) . . ?
C66 C61 P1 120.3(5) . . ?
C62 C61 P1 119.1(5) . . ?
C63 C62 C61 120.1(6) . . ?
C64 C63 C62 119.3(7) . . ?
C65 C64 C63 121.2(7) . . ?
C64 C65 C66 120.3(6) . . ?
C61 C66 C65 118.8(6) . . ?
C72 C67 C68 120.0(6) . . ?
C72 C67 P1 120.2(5) . . ?
C68 C67 P1 119.8(5) . . ?
C67 C68 C69 119.8(7) . . ?
C70 C69 C68 120.0(7) . . ?
C71 C70 C69 120.1(7) . . ?
C70 C71 C72 120.7(7) . . ?
C67 C72 C71 119.4(6) . . ?
C78 C73 C74 119.5(6) . . ?
C78 C73 P1 119.7(5) . . ?
C74 C73 P1 120.7(5) . . ?
C75 C74 C73 119.7(7) . . ?
C74 C75 C76 120.8(8) . . ?
C77 C76 C75 120.5(7) . . ?
C76 C77 C78 119.5(7) . . ?
C73 C78 C77 119.9(7) . . ?
Cl2 C79 Cl1 113.1(6) . . ?
Cl3 C80 Cl4 110.8(8) . . ?
Cl6 C81 Cl5 117.7(8) . . ?
C81 Cl6 Cl8' 163.9(6) . 1_445 ?
Cl8' C82 Cl8 65.3(5) . . ?
Cl8' C82 Cl7 139.1(11) . . ?
Cl8 C82 Cl7 112.6(8) . . ?
C82 Cl8' Cl6 167.4(7) . 1_665 ?
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 N15 1.958(5) . ?
Co1 N8 1.961(5) . ?
Co1 N1 1.967(5) . ?
Co1 N22 1.971(5) . ?
Co1 N29 2.106(5) . ?
Co1 Co2 2.2830(10) . ?
Co2 N16 1.911(4) . ?
Co2 N2 1.912(5) . ?
Co2 N9 1.919(5) . ?
Co2 N23 1.922(5) . ?
Co2 Co3 2.2582(10) . ?
Co3 N17 1.929(4) . ?
Co3 N10 1.932(4) . ?
Co3 N3 1.937(4) . ?
Co3 N24 1.944(5) . ?
Co3 Co4 2.2582(10) . ?
Co4 N18 1.911(5) . ?
Co4 N4 1.912(4) . ?
Co4 N25 1.915(5) . ?
Co4 N11 1.929(4) . ?
Co4 Co5 2.2803(10) . ?
Co5 N26 1.964(5) . ?
Co5 N12 1.966(5) . ?
Co5 N5 1.975(4) . ?
Co5 N19 1.976(5) . ?
Co5 N30 2.093(5) . ?
S1 C53 1.651(8) . ?
S2 C54 1.649(7) . ?
N1 C1 1.344(7) . ?
N1 C4 1.364(7) . ?
N2 C4 1.359(7) . ?
N2 C5 1.384(7) . ?
N3 C5 1.366(7) . ?
N3 C9 1.371(7) . ?
N4 C10 1.356(7) . ?
N4 C9 1.390(7) . ?
N5 C13 1.346(7) . ?
N5 C10 1.373(7) . ?
N6 C2 1.327(9) . ?
N6 C3 1.327(8) . ?
N7 C11 1.312(7) . ?
N7 C12 1.358(8) . ?
N8 C14 1.365(7) . ?
N8 C17 1.366(7) . ?
N9 C17 1.364(7) . ?
N9 C18 1.389(7) . ?
N10 C18 1.354(7) . ?
N10 C22 1.373(7) . ?
N11 C23 1.351(7) . ?
N11 C22 1.376(7) . ?
N12 C26 1.345(7) . ?
N12 C23 1.374(7) . ?
N13 C16 1.302(8) . ?
N13 C15 1.362(8) . ?
N14 C24 1.314(8) . ?
N14 C25 1.349(8) . ?
N15 C30 1.359(7) . ?
N15 C27 1.372(7) . ?
N16 C30 1.374(7) . ?
N16 C31 1.375(7) . ?
N17 C35 1.366(7) . ?
N17 C31 1.374(7) . ?
N18 C36 1.365(7) . ?
N18 C35 1.391(7) . ?
N19 C39 1.357(7) . ?
N19 C36 1.360(7) . ?
N20 C29 1.315(8) . ?
N20 C28 1.352(8) . ?
N21 C37 1.311(8) . ?
N21 C38 1.354(8) . ?
N22 C43 1.355(7) . ?
N22 C40 1.361(7) . ?
N23 C43 1.347(7) . ?
N23 C44 1.371(7) . ?
N24 C48 1.355(7) . ?
N24 C44 1.367(7) . ?
N25 C49 1.353(7) . ?
N25 C48 1.391(7) . ?
N26 C52 1.345(7) . ?
N26 C49 1.368(7) . ?
N27 C42 1.314(8) . ?
N27 C41 1.346(9) . ?
N28 C50 1.328(8) . ?
N28 C51 1.345(8) . ?
N29 C53 1.085(8) . ?
N30 C54 1.125(7) . ?
C1 C2 1.365(10) . ?
C3 C4 1.417(9) . ?
C5 C6 1.379(8) . ?
C6 C7 1.395(8) . ?
C7 C8 1.383(8) . ?
C8 C9 1.386(8) . ?
C10 C11 1.407(8) . ?
C12 C13 1.360(8) . ?
C14 C15 1.356(9) . ?
C16 C17 1.418(8) . ?
C18 C19 1.396(8) . ?
C19 C20 1.379(8) . ?
C20 C21 1.382(8) . ?
C21 C22 1.390(8) . ?
C23 C24 1.418(8) . ?
C25 C26 1.368(8) . ?
C27 C28 1.356(9) . ?
C29 C30 1.416(8) . ?
C31 C32 1.378(8) . ?
C32 C33 1.391(8) . ?
C33 C34 1.404(8) . ?
C34 C35 1.386(8) . ?
C36 C37 1.419(8) . ?
C38 C39 1.353(9) . ?
C40 C41 1.355(9) . ?
C42 C43 1.428(8) . ?
C44 C45 1.403(8) . ?
C45 C46 1.371(9) . ?
C46 C47 1.386(8) . ?
C47 C48 1.390(8) . ?
C49 C50 1.414(8) . ?
C51 C52 1.365(9) . ?
P1 C67 1.789(7) . ?
P1 C73 1.790(6) . ?
P1 C55 1.792(6) . ?
P1 C61 1.796(6) . ?
C55 C60 1.395(9) . ?
C55 C56 1.400(9) . ?
C56 C57 1.393(9) . ?
C57 C58 1.343(11) . ?
C58 C59 1.373(11) . ?
C59 C60 1.384(10) . ?
C61 C66 1.381(9) . ?
C61 C62 1.393(9) . ?
C62 C63 1.380(9) . ?
C63 C64 1.379(10) . ?
C64 C65 1.360(10) . ?
C65 C66 1.402(9) . ?
C67 C72 1.390(9) . ?
C67 C68 1.392(9) . ?
C68 C69 1.392(10) . ?
C69 C70 1.386(11) . ?
C70 C71 1.373(10) . ?
C71 C72 1.393(10) . ?
C73 C78 1.384(10) . ?
C73 C74 1.404(9) . ?
C74 C75 1.362(9) . ?
C75 C76 1.381(11) . ?
C76 C77 1.368(11) . ?
C77 C78 1.400(9) . ?
C79 Cl2 1.742(9) . ?
C79 Cl1 1.749(10) . ?
C80 Cl3 1.678(14) . ?
C80 Cl4 1.775(8) . ?
C81 Cl6 1.676(13) . ?
C81 Cl5 1.739(13) . ?
Cl6 Cl8' 2.147(10) 1_445 ?
C82 Cl8' 1.619(8) . ?
C82 Cl8 1.645(8) . ?
C82 Cl7 1.664(13) . ?
Cl8' Cl6 2.147(10) 1_665 ?
