#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:02:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179773 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/69/7006906.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_7006906
loop_
_publ_author_name
'Chien, Chih-Hsien'
'Chang, Jung-Che'
'Yeh, Chen-Yu'
'Lee, Gene-Hsiang'
'Fang, Jim-Min'
'Peng, Shie-Ming'
_publ_section_title
;
 Novel linear hexanuclear cobalt string complexes (Co6(12+)) and
 one-electron reduction products (Co6(11+)) supported by four bpyany2-
 ligands.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2106
_journal_page_last               2113
_journal_paper_doi               10.1039/b515311e
_journal_year                    2006
_chemical_formula_sum            'C82 H60 Cl12 Co6 F12 N24 O12 S4'
_chemical_formula_weight         2708.76
_chemical_name_common            (Co6(bpyany)4(OTf)2)(OTf)2
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 96.5410(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   48.8644(4)
_cell_length_b                   16.91220(10)
_cell_length_c                   24.1983(2)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.00
_cell_volume                     19867.4(3)
_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(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            91642
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    1.481
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             10832
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.512
_refine_diff_density_min         -1.528
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1369
_refine_ls_number_reflns         22806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0878P)²+66.6377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1731
_reflns_number_gt                15502
_reflns_number_total             22806
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b515311e.txt
_cod_data_source_block           ic10799(compd_3)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7006906
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.657151(11) 0.55307(3) 0.47337(2) 0.02024(13) Uani 1 1 d . . .
Co2 Co 0.644570(10) 0.43597(3) 0.43178(2) 0.01932(12) Uani 1 1 d . . .
Co3 Co 0.631847(10) 0.31924(3) 0.39315(2) 0.01724(12) Uani 1 1 d . . .
Co4 Co 0.619040(10) 0.20140(3) 0.35373(2) 0.01724(12) Uani 1 1 d . . .
Co5 Co 0.606261(10) 0.08554(3) 0.31355(2) 0.01954(12) Uani 1 1 d . . .
Co6 Co 0.592352(11) -0.03300(3) 0.27398(2) 0.02084(13) Uani 1 1 d . . .
N1 N 0.69489(7) 0.52601(19) 0.46018(13) 0.0224(7) Uani 1 1 d . . .
N2 N 0.67672(6) 0.43610(19) 0.39383(13) 0.0206(7) Uani 1 1 d . . .
N3 N 0.65749(6) 0.33561(18) 0.33876(13) 0.0194(7) Uani 1 1 d . . .
N4 N 0.63671(6) 0.22996(19) 0.28889(12) 0.0190(7) Uani 1 1 d . . .
N5 N 0.61352(6) 0.12672(19) 0.24345(13) 0.0212(7) Uani 1 1 d . . .
N6 N 0.58606(7) 0.02597(19) 0.20288(13) 0.0230(7) Uani 1 1 d . . .
N7 N 0.66240(7) 0.49463(19) 0.54384(13) 0.0217(7) Uani 1 1 d . . .
N8 N 0.66454(7) 0.37997(19) 0.49260(13) 0.0217(7) Uani 1 1 d . . .
N9 N 0.66075(6) 0.26627(18) 0.44037(12) 0.0188(7) Uani 1 1 d . . .
N10 N 0.65333(6) 0.15404(18) 0.38541(13) 0.0196(7) Uani 1 1 d . . .
N11 N 0.64360(6) 0.04942(19) 0.32587(13) 0.0215(7) Uani 1 1 d . . .
N12 N 0.63121(7) -0.05072(19) 0.26246(14) 0.0234(7) Uani 1 1 d . . .
N13 N 0.61828(7) 0.56852(19) 0.48425(14) 0.0229(7) Uani 1 1 d . . .
N14 N 0.61217(7) 0.43428(19) 0.46942(13) 0.0222(7) Uani 1 1 d . . .
N15 N 0.60677(6) 0.30242(18) 0.44797(13) 0.0189(7) Uani 1 1 d . . .
N16 N 0.60188(6) 0.17265(18) 0.41887(13) 0.0192(7) Uani 1 1 d . . .
N17 N 0.59940(7) 0.04545(19) 0.38514(13) 0.0218(7) Uani 1 1 d . . .
N18 N 0.60042(7) -0.07999(19) 0.34798(14) 0.0234(7) Uani 1 1 d . . .
N19 N 0.65118(7) 0.59940(19) 0.39737(13) 0.0211(7) Uani 1 1 d . . .
N20 N 0.62459(6) 0.49019(19) 0.37106(13) 0.0216(7) Uani 1 1 d . . .
N21 N 0.60324(6) 0.37260(19) 0.34510(13) 0.0198(7) Uani 1 1 d . . .
N22 N 0.58509(6) 0.24959(19) 0.32058(13) 0.0196(7) Uani 1 1 d . . .
N23 N 0.56958(6) 0.12339(19) 0.30136(14) 0.0220(7) Uani 1 1 d . . .
N24 N 0.55519(7) -0.0067(2) 0.29254(13) 0.0228(7) Uani 1 1 d . . .
C1 C 0.71649(8) 0.5590(2) 0.49189(17) 0.0256(9) Uani 1 1 d . . .
H1 H 0.7129 0.5946 0.5206 0.031 Uiso 1 1 calc R . .
C2 C 0.74318(9) 0.5434(3) 0.48438(18) 0.0300(10) Uani 1 1 d . . .
H2 H 0.7578 0.5690 0.5066 0.036 Uiso 1 1 calc R . .
C3 C 0.74858(8) 0.4895(3) 0.44363(18) 0.0300(9) Uani 1 1 d . . .
H3 H 0.7670 0.4777 0.4377 0.036 Uiso 1 1 calc R . .
C4 C 0.72693(8) 0.4534(2) 0.41202(17) 0.0258(9) Uani 1 1 d . . .
H4 H 0.7303 0.4157 0.3846 0.031 Uiso 1 1 calc R . .
C5 C 0.69986(8) 0.4726(2) 0.42046(16) 0.0216(8) Uani 1 1 d . . .
C6 C 0.67642(8) 0.3952(2) 0.34564(16) 0.0212(8) Uani 1 1 d . . .
C7 C 0.69277(8) 0.4131(2) 0.30216(16) 0.0243(8) Uani 1 1 d . . .
H7 H 0.7051 0.4567 0.3057 0.029 Uiso 1 1 calc R . .
C8 C 0.69077(8) 0.3682(2) 0.25616(17) 0.0259(9) Uani 1 1 d . . .
H8 H 0.7020 0.3799 0.2277 0.031 Uiso 1 1 calc R . .
C9 C 0.67222(8) 0.3037(2) 0.24928(16) 0.0227(8) Uani 1 1 d . . .
C10 C 0.65563(7) 0.2900(2) 0.29215(16) 0.0197(8) Uani 1 1 d . . .
C11 C 0.66884(9) 0.2532(3) 0.20277(17) 0.0283(9) Uani 1 1 d . . .
H11 H 0.6803 0.2595 0.1739 0.034 Uiso 1 1 calc R . .
C12 C 0.64927(9) 0.1954(3) 0.19882(17) 0.0275(9) Uani 1 1 d . . .
H12 H 0.6468 0.1626 0.1668 0.033 Uiso 1 1 calc R . .
C13 C 0.63279(8) 0.1843(2) 0.24220(16) 0.0218(8) Uani 1 1 d . . .
C14 C 0.59796(8) 0.0984(2) 0.19676(16) 0.0225(8) Uani 1 1 d . . .
C15 C 0.59206(9) 0.1416(3) 0.14776(18) 0.0300(9) Uani 1 1 d . . .
H15 H 0.6001 0.1921 0.1442 0.036 Uiso 1 1 calc R . .
C16 C 0.57450(10) 0.1109(3) 0.10446(18) 0.0350(10) Uani 1 1 d . . .
H16 H 0.5705 0.1399 0.0709 0.042 Uiso 1 1 calc R . .
C17 C 0.56268(9) 0.0369(3) 0.11070(18) 0.0302(10) Uani 1 1 d . . .
H17 H 0.5508 0.0141 0.0812 0.036 Uiso 1 1 calc R . .
C18 C 0.56855(8) -0.0021(3) 0.15973(17) 0.0259(9) Uani 1 1 d . . .
H18 H 0.5599 -0.0517 0.1641 0.031 Uiso 1 1 calc R . .
C19 C 0.66073(9) 0.5313(3) 0.59292(17) 0.0280(9) Uani 1 1 d . . .
H19 H 0.6563 0.5860 0.5924 0.034 Uiso 1 1 calc R . .
C20 C 0.66501(9) 0.4942(3) 0.64315(17) 0.0320(10) Uani 1 1 d . . .
H20 H 0.6639 0.5224 0.6767 0.038 Uiso 1 1 calc R . .
C21 C 0.67113(10) 0.4137(3) 0.64384(18) 0.0343(10) Uani 1 1 d . . .
H21 H 0.6750 0.3866 0.6782 0.041 Uiso 1 1 calc R . .
C22 C 0.67153(9) 0.3737(3) 0.59453(17) 0.0301(9) Uani 1 1 d . . .
H22 H 0.6749 0.3184 0.5945 0.036 Uiso 1 1 calc R . .
C23 C 0.66689(8) 0.4153(2) 0.54421(16) 0.0232(8) Uani 1 1 d . . .
C24 C 0.67475(8) 0.3070(2) 0.48298(16) 0.0219(8) Uani 1 1 d . . .
C25 C 0.69930(8) 0.2747(2) 0.51152(17) 0.0259(9) Uani 1 1 d . . .
H25 H 0.7095 0.3039 0.5405 0.031 Uiso 1 1 calc R . .
C26 C 0.70821(8) 0.2021(3) 0.49744(17) 0.0271(9) Uani 1 1 d . . .
H26 H 0.7247 0.1810 0.5163 0.032 Uiso 1 1 calc R . .
C27 C 0.69310(8) 0.1578(2) 0.45494(16) 0.0229(8) Uani 1 1 d . . .
C28 C 0.66923(8) 0.1926(2) 0.42727(15) 0.0196(8) Uani 1 1 d . . .
C29 C 0.70024(9) 0.0816(2) 0.43785(17) 0.0275(9) Uani 1 1 d . . .
H29 H 0.7161 0.0561 0.4560 0.033 Uiso 1 1 calc R . .
C30 C 0.68450(8) 0.0437(2) 0.39533(17) 0.0262(9) Uani 1 1 d . . .
H30 H 0.6894 -0.0078 0.3842 0.031 Uiso 1 1 calc R . .
C31 C 0.66073(8) 0.0821(2) 0.36800(16) 0.0221(8) Uani 1 1 d . . .
C32 C 0.65180(8) -0.0072(2) 0.28963(16) 0.0241(8) Uani 1 1 d . . .
C33 C 0.67908(9) -0.0156(3) 0.27735(18) 0.0305(10) Uani 1 1 d . . .
H33 H 0.6931 0.0189 0.2936 0.037 Uiso 1 1 calc R . .
C34 C 0.68524(9) -0.0746(3) 0.24133(19) 0.0351(11) Uani 1 1 d . . .
H34 H 0.7037 -0.0824 0.2336 0.042 Uiso 1 1 calc R . .
C35 C 0.66431(9) -0.1224(3) 0.21648(19) 0.0353(10) Uani 1 1 d . . .
H35 H 0.6683 -0.1651 0.1932 0.042 Uiso 1 1 calc R . .
C36 C 0.63778(9) -0.1069(2) 0.22616(17) 0.0276(9) Uani 1 1 d . . .
H36 H 0.6233 -0.1367 0.2066 0.033 Uiso 1 1 calc R . .
C37 C 0.60821(9) 0.6406(2) 0.49436(17) 0.0264(9) Uani 1 1 d . . .
H37 H 0.6205 0.6844 0.4963 0.032 Uiso 1 1 calc R . .
C38 C 0.58108(9) 0.6542(3) 0.50200(18) 0.0316(10) Uani 1 1 d . . .
H38 H 0.5749 0.7059 0.5097 0.038 Uiso 1 1 calc R . .
C39 C 0.56306(9) 0.5909(3) 0.49823(19) 0.0318(10) Uani 1 1 d . . .
H39 H 0.5442 0.5986 0.5032 0.038 Uiso 1 1 calc R . .
C40 C 0.57270(8) 0.5162(3) 0.48713(18) 0.0287(9) Uani 1 1 d . . .
H40 H 0.5604 0.4725 0.4831 0.034 Uiso 1 1 calc R . .
C41 C 0.60082(8) 0.5057(2) 0.48182(16) 0.0233(8) Uani 1 1 d . . .
C42 C 0.60123(8) 0.3629(2) 0.48172(16) 0.0214(8) Uani 1 1 d . . .
C43 C 0.58660(9) 0.3489(2) 0.52843(17) 0.0255(9) Uani 1 1 d . . .
H43 H 0.5832 0.3911 0.5527 0.031 Uiso 1 1 calc R . .
C44 C 0.57748(9) 0.2747(2) 0.53819(17) 0.0288(9) Uani 1 1 d . . .
H44 H 0.5681 0.2650 0.5698 0.035 Uiso 1 1 calc R . .
C45 C 0.58185(8) 0.2123(2) 0.50189(17) 0.0256(9) Uani 1 1 d . . .
C46 C 0.59664(7) 0.2291(2) 0.45665(15) 0.0196(8) Uani 1 1 d . . .
C47 C 0.57228(9) 0.1342(2) 0.50657(18) 0.0282(9) Uani 1 1 d . . .
H47 H 0.5619 0.1209 0.5362 0.034 Uiso 1 1 calc R . .
C48 C 0.57761(9) 0.0779(2) 0.46953(17) 0.0275(9) Uani 1 1 d . . .
H48 H 0.5709 0.0256 0.4731 0.033 Uiso 1 1 calc R . .
C49 C 0.59320(8) 0.0970(2) 0.42520(16) 0.0223(8) Uani 1 1 d . . .
C50 C 0.60282(8) -0.0343(2) 0.39459(16) 0.0228(8) Uani 1 1 d . . .
C51 C 0.61074(9) -0.0686(2) 0.44699(17) 0.0282(9) Uani 1 1 d . . .
H51 H 0.6132 -0.0362 0.4793 0.034 Uiso 1 1 calc R . .
C52 C 0.61491(10) -0.1482(3) 0.45151(19) 0.0333(10) Uani 1 1 d . . .
H52 H 0.6197 -0.1716 0.4870 0.040 Uiso 1 1 calc R . .
C53 C 0.61217(10) -0.1944(3) 0.40418(18) 0.0320(10) Uani 1 1 d . . .
H53 H 0.6149 -0.2500 0.4066 0.038 Uiso 1 1 calc R . .
C54 C 0.60537(9) -0.1585(3) 0.35351(18) 0.0293(9) Uani 1 1 d . . .
H54 H 0.6041 -0.1902 0.3209 0.035 Uiso 1 1 calc R . .
C55 C 0.66446(9) 0.6657(2) 0.38416(17) 0.0268(9) Uani 1 1 d . . .
H55 H 0.6768 0.6901 0.4122 0.032 Uiso 1 1 calc R . .
C56 C 0.66098(9) 0.6997(3) 0.33229(18) 0.0320(10) Uani 1 1 d . . .
H56 H 0.6703 0.7471 0.3249 0.038 Uiso 1 1 calc R . .
C57 C 0.64349(9) 0.6631(3) 0.29103(18) 0.0318(10) Uani 1 1 d . . .
H57 H 0.6404 0.6857 0.2549 0.038 Uiso 1 1 calc R . .
C58 C 0.63068(9) 0.5945(3) 0.30251(18) 0.0303(10) Uani 1 1 d . . .
H58 H 0.6191 0.5683 0.2740 0.036 Uiso 1 1 calc R . .
C59 C 0.63445(8) 0.5626(2) 0.35616(17) 0.0237(8) Uani 1 1 d . . .
C60 C 0.60275(8) 0.4525(2) 0.34189(16) 0.0234(8) Uani 1 1 d . . .
C61 C 0.57974(8) 0.4920(2) 0.31265(18) 0.0273(9) Uani 1 1 d . . .
H61 H 0.5791 0.5481 0.3117 0.033 Uiso 1 1 calc R . .
C62 C 0.55892(9) 0.4493(3) 0.28628(18) 0.0291(9) Uani 1 1 d . . .
H62 H 0.5436 0.4758 0.2670 0.035 Uiso 1 1 calc R . .
C63 C 0.55955(8) 0.3655(2) 0.28681(17) 0.0242(8) Uani 1 1 d . . .
C64 C 0.58240(8) 0.3296(2) 0.31741(15) 0.0204(8) Uani 1 1 d . . .
C65 C 0.53938(8) 0.3163(3) 0.25928(19) 0.0303(10) Uani 1 1 d . . .
H65 H 0.5241 0.3388 0.2371 0.036 Uiso 1 1 calc R . .
C66 C 0.54158(8) 0.2360(3) 0.26411(18) 0.0283(9) Uani 1 1 d . . .
H66 H 0.5276 0.2028 0.2462 0.034 Uiso 1 1 calc R . .
C67 C 0.56481(8) 0.2027(2) 0.29601(16) 0.0219(8) Uani 1 1 d . . .
C68 C 0.54835(8) 0.0692(2) 0.30354(16) 0.0226(8) Uani 1 1 d . . .
C69 C 0.52317(8) 0.0876(3) 0.32168(18) 0.0300(9) Uani 1 1 d . . .
H69 H 0.5189 0.1409 0.3297 0.036 Uiso 1 1 calc R . .
C70 C 0.50457(9) 0.0288(3) 0.3280(2) 0.0342(10) Uani 1 1 d . . .
H70 H 0.4872 0.0409 0.3400 0.041 Uiso 1 1 calc R . .
C71 C 0.51131(9) -0.0492(3) 0.31655(19) 0.0338(10) Uani 1 1 d . . .
H71 H 0.4986 -0.0909 0.3201 0.041 Uiso 1 1 calc R . .
C72 C 0.53660(9) -0.0641(2) 0.30010(17) 0.0270(9) Uani 1 1 d . . .
H72 H 0.5414 -0.1175 0.2936 0.032 Uiso 1 1 calc R . .
C73 C 0.69483(11) 0.8037(3) 0.5134(2) 0.0413(12) Uani 1 1 d . . .
C74 C 0.55205(11) -0.2817(3) 0.2404(2) 0.0460(13) Uani 1 1 d . . .
C75 C 0.75791(10) 0.7217(3) 0.1497(2) 0.0393(11) Uani 1 1 d . . .
C76 C 0.48383(16) 0.3006(6) 0.0752(3) 0.087(3) Uani 1 1 d . . .
S1 S 0.67678(2) 0.72842(6) 0.54944(4) 0.0256(2) Uani 1 1 d . . .
S2 S 0.56996(2) -0.21381(7) 0.19790(5) 0.0337(3) Uani 1 1 d . . .
S3 S 0.73152(2) 0.78508(7) 0.17358(5) 0.0328(3) Uani 1 1 d . . .
S4 S 0.51779(3) 0.28763(9) 0.10541(6) 0.0527(4) Uani 1 1 d . . .
F1 F 0.67939(7) 0.83106(18) 0.46910(13) 0.0532(8) Uani 1 1 d . . .
F2 F 0.70166(8) 0.86448(19) 0.54644(15) 0.0690(10) Uani 1 1 d . . .
F3 F 0.71742(6) 0.7739(2) 0.49653(14) 0.0565(8) Uani 1 1 d . . .
F4 F 0.56836(8) -0.3004(2) 0.28694(15) 0.0686(10) Uani 1 1 d . . .
F5 F 0.54575(8) -0.34863(18) 0.21371(17) 0.0705(10) Uani 1 1 d . . .
F6 F 0.52946(6) -0.25086(19) 0.25471(15) 0.0608(9) Uani 1 1 d . . .
F7 F 0.77056(9) 0.6783(3) 0.18970(16) 0.0931(14) Uani 1 1 d . . .
F8 F 0.74795(7) 0.6724(2) 0.10996(16) 0.0691(11) Uani 1 1 d . . .
F9 F 0.77791(8) 0.7621(2) 0.13049(18) 0.0810(12) Uani 1 1 d . . .
F10 F 0.47616(11) 0.2372(4) 0.0422(3) 0.145(2) Uani 1 1 d . . .
F11 F 0.48080(12) 0.3618(4) 0.0406(3) 0.143(2) Uani 1 1 d . . .
F12 F 0.46487(10) 0.3082(6) 0.1052(2) 0.195(4) Uani 1 1 d . . .
O1 O 0.66961(6) 0.67039(16) 0.50597(11) 0.0260(6) Uani 1 1 d . . .
O2 O 0.65360(6) 0.76866(18) 0.56748(12) 0.0320(7) Uani 1 1 d . . .
O3 O 0.69738(6) 0.70141(19) 0.59241(12) 0.0354(7) Uani 1 1 d . . .
O4 O 0.57712(6) -0.14859(17) 0.23620(12) 0.0295(7) Uani 1 1 d . . .
O5 O 0.54948(8) -0.1938(2) 0.15266(15) 0.0484(9) Uani 1 1 d . . .
O6 O 0.59316(8) -0.2578(2) 0.18408(16) 0.0533(10) Uani 1 1 d . . .
O7 O 0.71185(10) 0.7324(3) 0.1890(3) 0.100(2) Uani 1 1 d . . .
O8 O 0.74621(8) 0.8272(3) 0.2170(2) 0.0925(19) Uani 1 1 d . . .
O9 O 0.72299(12) 0.8311(3) 0.12643(18) 0.0858(17) Uani 1 1 d . . .
O10 O 0.53344(9) 0.2741(3) 0.0611(2) 0.0922(18) Uani 1 1 d . . .
O11 O 0.51563(10) 0.2224(3) 0.14208(17) 0.0768(14) Uani 1 1 d . . .
O12 O 0.52361(17) 0.3617(3) 0.1332(3) 0.135(3) Uani 1 1 d . . .
C77 C 0.66484(12) 0.0629(3) 0.5750(3) 0.0531(14) Uani 1 1 d . . .
H77A H 0.6797 0.0752 0.6050 0.064 Uiso 1 1 calc R . .
H77B H 0.6735 0.0481 0.5413 0.064 Uiso 1 1 calc R . .
C78 C 0.7426(2) 0.8437(6) 0.6775(5) 0.138(5) Uani 1 1 d . . .
H78A H 0.7422 0.8106 0.7111 0.166 Uiso 1 1 calc R . .
H78B H 0.7361 0.8101 0.6450 0.166 Uiso 1 1 calc R . .
C79 C 0.58674(16) 0.4321(4) 0.1454(3) 0.074(2) Uani 1 1 d . . .
H79A H 0.5906 0.4235 0.1065 0.089 Uiso 1 1 calc R . .
H79B H 0.5677 0.4140 0.1484 0.089 Uiso 1 1 calc R . .
C80 C 0.75010(13) 0.8822(5) 0.3416(2) 0.076(2) Uani 1 1 d . . .
H80A H 0.7672 0.8551 0.3571 0.092 Uiso 1 1 calc R . .
H80B H 0.7460 0.8664 0.3022 0.092 Uiso 1 1 calc R . .
C81 C 0.4986(4) 0.5326(7) 0.3732(5) 0.188(7) Uani 1 1 d . . .
H81A H 0.5104 0.4863 0.3843 0.226 Uiso 1 1 calc R . .
H81B H 0.4840 0.5161 0.3437 0.226 Uiso 1 1 calc R . .
C82 C 0.51220(18) 0.8194(7) 0.4425(4) 0.123(4) Uani 1 1 d . . .
H82A H 0.5110 0.7806 0.4727 0.148 Uiso 1 1 calc R . .
H82B H 0.4986 0.8043 0.4107 0.148 Uiso 1 1 calc R . .
Cl1 Cl 0.64422(3) 0.14660(10) 0.56082(7) 0.0633(4) Uani 1 1 d . . .
Cl2 Cl 0.64532(4) -0.01702(10) 0.59537(7) 0.0760(5) Uani 1 1 d . . .
Cl3 Cl 0.71970(6) 0.91730(18) 0.68060(11) 0.1241(10) Uani 1 1 d . . .
Cl4 Cl 0.77512(5) 0.86886(17) 0.67252(17) 0.1530(14) Uani 1 1 d . . .
Cl5 Cl 0.58897(4) 0.53275(9) 0.16018(6) 0.0625(4) Uani 1 1 d . . .
Cl6 Cl 0.60964(3) 0.37559(10) 0.18982(8) 0.0687(5) Uani 1 1 d . . .
Cl7 Cl 0.72265(4) 0.85161(10) 0.37885(7) 0.0673(4) Uani 1 1 d . . .
Cl8 Cl 0.75505(4) 0.98204(15) 0.34535(11) 0.1037(7) Uani 1 1 d . . .
Cl9 Cl 0.48438(7) 0.5700(3) 0.42952(15) 0.1775(16) Uani 1 1 d . . .
Cl10 Cl 0.51792(9) 0.6075(3) 0.3497(2) 0.253(3) Uani 1 1 d . . .
Cl11 Cl 0.50419(6) 0.9146(2) 0.46600(13) 0.1460(12) Uani 1 1 d . . .
Cl12 Cl 0.54430(5) 0.8172(3) 0.42246(16) 0.202(2) 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'
F F 0.0171 0.0103 '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
N1 Co1 N7 89.52(13) . . ?
N1 Co1 N13 173.88(14) . . ?
N7 Co1 N13 89.04(13) . . ?
N1 Co1 N19 89.03(13) . . ?
N7 Co1 N19 172.94(14) . . ?
N13 Co1 N19 91.68(13) . . ?
N1 Co1 O1 92.41(12) . . ?
N7 Co1 O1 98.02(12) . . ?
N13 Co1 O1 93.69(12) . . ?
N19 Co1 O1 88.95(12) . . ?
N1 Co1 Co2 86.37(10) . . ?
N7 Co1 Co2 87.01(10) . . ?
N13 Co1 Co2 87.61(10) . . ?
N19 Co1 Co2 86.00(10) . . ?
O1 Co1 Co2 174.82(8) . . ?
N20 Co2 N2 90.33(14) . . ?
N20 Co2 N14 89.73(14) . . ?
N2 Co2 N14 179.14(14) . . ?
N20 Co2 N8 179.24(15) . . ?
N2 Co2 N8 89.72(14) . . ?
N14 Co2 N8 90.20(14) . . ?
N20 Co2 Co3 90.51(10) . . ?
N2 Co2 Co3 90.28(10) . . ?
N14 Co2 Co3 88.87(10) . . ?
N8 Co2 Co3 88.73(10) . . ?
N20 Co2 Co1 90.63(10) . . ?
N2 Co2 Co1 90.92(10) . . ?
N14 Co2 Co1 89.94(10) . . ?
N8 Co2 Co1 90.13(10) . . ?
Co3 Co2 Co1 178.34(3) . . ?
N15 Co3 N9 90.22(13) . . ?
N15 Co3 N21 90.57(13) . . ?
N9 Co3 N21 179.22(13) . . ?
N15 Co3 N3 179.19(14) . . ?
N9 Co3 N3 88.99(13) . . ?
N21 Co3 N3 90.23(13) . . ?
N15 Co3 Co2 90.62(10) . . ?
N9 Co3 Co2 90.71(10) . . ?
N21 Co3 Co2 89.25(10) . . ?
N3 Co3 Co2 89.27(10) . . ?
N15 Co3 Co4 89.61(10) . . ?
N9 Co3 Co4 89.40(10) . . ?
N21 Co3 Co4 90.64(10) . . ?
N3 Co3 Co4 90.50(10) . . ?
Co2 Co3 Co4 179.74(3) . . ?
N16 Co4 N10 90.53(13) . . ?
N16 Co4 N4 179.27(14) . . ?
N10 Co4 N4 88.76(13) . . ?
N16 Co4 N22 90.73(13) . . ?
N10 Co4 N22 178.73(13) . . ?
N4 Co4 N22 89.97(13) . . ?
N16 Co4 Co5 90.49(9) . . ?
N10 Co4 Co5 89.76(10) . . ?
N4 Co4 Co5 89.69(10) . . ?
N22 Co4 Co5 90.29(10) . . ?
N16 Co4 Co3 90.15(9) . . ?
N10 Co4 Co3 90.70(10) . . ?
N4 Co4 Co3 89.68(10) . . ?
N22 Co4 Co3 89.24(10) . . ?
Co5 Co4 Co3 179.21(3) . . ?
N23 Co5 N5 90.38(14) . . ?
N23 Co5 N11 178.86(14) . . ?
N5 Co5 N11 89.11(14) . . ?
N23 Co5 N17 90.03(14) . . ?
N5 Co5 N17 178.88(15) . . ?
N11 Co5 N17 90.46(14) . . ?
N23 Co5 Co4 89.09(10) . . ?
N5 Co5 Co4 89.76(10) . . ?
N11 Co5 Co4 89.89(10) . . ?
N17 Co5 Co4 89.20(10) . . ?
N23 Co5 Co6 90.01(10) . . ?
N5 Co5 Co6 91.38(10) . . ?
N11 Co5 Co6 91.02(10) . . ?
N17 Co5 Co6 89.66(10) . . ?
Co4 Co5 Co6 178.55(3) . . ?
N18 Co6 N24 88.73(14) . . ?
N18 Co6 N12 88.32(14) . . ?
N24 Co6 N12 173.27(14) . . ?
N18 Co6 N6 173.39(14) . . ?
N24 Co6 N6 91.65(14) . . ?
N12 Co6 N6 90.59(14) . . ?
N18 Co6 O4 92.40(12) . . ?
N24 Co6 O4 91.01(12) . . ?
N12 Co6 O4 95.15(12) . . ?
N6 Co6 O4 94.19(12) . . ?
N18 Co6 Co5 87.35(10) . . ?
N24 Co6 Co5 86.83(10) . . ?
N12 Co6 Co5 87.00(10) . . ?
N6 Co6 Co5 86.09(10) . . ?
O4 Co6 Co5 177.83(8) . . ?
C1 N1 C5 119.0(3) . . ?
C1 N1 Co1 119.9(3) . . ?
C5 N1 Co1 121.1(3) . . ?
C6 N2 C5 123.9(3) . . ?
C6 N2 Co2 119.0(3) . . ?
C5 N2 Co2 116.8(2) . . ?
C10 N3 C6 120.0(3) . . ?
C10 N3 Co3 119.6(3) . . ?
C6 N3 Co3 120.3(2) . . ?
C13 N4 C10 119.8(3) . . ?
C13 N4 Co4 119.8(3) . . ?
C10 N4 Co4 119.9(2) . . ?
C13 N5 C14 123.5(3) . . ?
C13 N5 Co5 118.8(3) . . ?
C14 N5 Co5 117.6(3) . . ?
C18 N6 C14 117.9(3) . . ?
C18 N6 Co6 120.9(3) . . ?
C14 N6 Co6 121.2(3) . . ?
C19 N7 C23 118.2(3) . . ?
C19 N7 Co1 121.2(3) . . ?
C23 N7 Co1 120.5(3) . . ?
C24 N8 C23 123.6(3) . . ?
C24 N8 Co2 118.7(3) . . ?
C23 N8 Co2 117.6(3) . . ?
C24 N9 C28 120.1(3) . . ?
C24 N9 Co3 119.0(3) . . ?
C28 N9 Co3 120.5(2) . . ?
C31 N10 C28 120.7(3) . . ?
C31 N10 Co4 120.0(3) . . ?
C28 N10 Co4 119.2(3) . . ?
C31 N11 C32 123.8(3) . . ?
C31 N11 Co5 118.7(3) . . ?
C32 N11 Co5 117.4(3) . . ?
C32 N12 C36 118.5(3) . . ?
C32 N12 Co6 121.5(3) . . ?
C36 N12 Co6 120.0(3) . . ?
C37 N13 C41 118.3(3) . . ?
C37 N13 Co1 121.5(3) . . ?
C41 N13 Co1 120.1(3) . . ?
C42 N14 C41 123.4(3) . . ?
C42 N14 Co2 118.8(3) . . ?
C41 N14 Co2 117.8(3) . . ?
C42 N15 C46 119.6(3) . . ?
C42 N15 Co3 119.3(3) . . ?
C46 N15 Co3 120.8(2) . . ?
C49 N16 C46 119.8(3) . . ?
C49 N16 Co4 119.9(3) . . ?
C46 N16 Co4 120.2(2) . . ?
C49 N17 C50 122.8(3) . . ?
C49 N17 Co5 119.4(3) . . ?
C50 N17 Co5 117.7(3) . . ?
C54 N18 C50 118.5(4) . . ?
C54 N18 Co6 120.2(3) . . ?
C50 N18 Co6 121.1(3) . . ?
C55 N19 C59 118.0(3) . . ?
C55 N19 Co1 121.4(3) . . ?
C59 N19 Co1 120.5(3) . . ?
C60 N20 C59 123.6(3) . . ?
C60 N20 Co2 118.4(3) . . ?
C59 N20 Co2 117.8(3) . . ?
C60 N21 C64 119.8(3) . . ?
C60 N21 Co3 120.4(3) . . ?
C64 N21 Co3 119.6(3) . . ?
C67 N22 C64 119.8(3) . . ?
C67 N22 Co4 119.0(3) . . ?
C64 N22 Co4 120.9(3) . . ?
C67 N23 C68 122.1(3) . . ?
C67 N23 Co5 119.7(3) . . ?
C68 N23 Co5 117.9(3) . . ?
C72 N24 C68 117.8(3) . . ?
C72 N24 Co6 121.2(3) . . ?
C68 N24 Co6 120.7(3) . . ?
N1 C1 C2 122.7(4) . . ?
C1 C2 C3 118.9(4) . . ?
C4 C3 C2 119.3(4) . . ?
C3 C4 C5 119.7(4) . . ?
N1 C5 N2 115.1(3) . . ?
N1 C5 C4 120.3(4) . . ?
N2 C5 C4 124.4(4) . . ?
N2 C6 N3 115.0(3) . . ?
N2 C6 C7 125.1(4) . . ?
N3 C6 C7 119.8(4) . . ?
C8 C7 C6 119.9(4) . . ?
C7 C8 C9 121.2(4) . . ?
C10 C9 C11 117.6(4) . . ?
C10 C9 C8 117.1(4) . . ?
C11 C9 C8 125.2(4) . . ?
N3 C10 N4 116.7(3) . . ?
N3 C10 C9 121.8(3) . . ?
N4 C10 C9 121.5(3) . . ?
C12 C11 C9 120.6(4) . . ?
C11 C12 C13 120.0(4) . . ?
N5 C13 N4 114.8(3) . . ?
N5 C13 C12 124.7(4) . . ?
N4 C13 C12 120.3(4) . . ?
N6 C14 N5 115.1(3) . . ?
N6 C14 C15 120.7(4) . . ?
N5 C14 C15 123.9(4) . . ?
C16 C15 C14 120.0(4) . . ?
C15 C16 C17 119.0(4) . . ?
C18 C17 C16 118.8(4) . . ?
N6 C18 C17 123.6(4) . . ?
N7 C19 C20 123.7(4) . . ?
C19 C20 C21 118.1(4) . . ?
C22 C21 C20 119.7(4) . . ?
C21 C22 C23 119.4(4) . . ?
N7 C23 N8 115.2(3) . . ?
N7 C23 C22 120.7(4) . . ?
N8 C23 C22 124.0(4) . . ?
N9 C24 N8 115.3(3) . . ?
N9 C24 C25 119.8(4) . . ?
N8 C24 C25 124.8(4) . . ?
C26 C25 C24 120.1(4) . . ?
C25 C26 C27 120.4(4) . . ?
C28 C27 C29 117.6(4) . . ?
C28 C27 C26 117.5(4) . . ?
C29 C27 C26 124.9(4) . . ?
N9 C28 N10 116.5(3) . . ?
N9 C28 C27 122.0(3) . . ?
N10 C28 C27 121.5(4) . . ?
C30 C29 C27 120.7(4) . . ?
C29 C30 C31 119.5(4) . . ?
N10 C31 N11 115.9(3) . . ?
N10 C31 C30 119.9(4) . . ?
N11 C31 C30 124.1(4) . . ?
N12 C32 N11 115.4(3) . . ?
N12 C32 C33 120.8(4) . . ?
N11 C32 C33 123.5(4) . . ?
C34 C33 C32 119.1(4) . . ?
C33 C34 C35 119.5(4) . . ?
C36 C35 C34 118.7(4) . . ?
N12 C36 C35 122.9(4) . . ?
N13 C37 C38 123.5(4) . . ?
C37 C38 C39 118.5(4) . . ?
C38 C39 C40 119.4(4) . . ?
C39 C40 C41 119.4(4) . . ?
N13 C41 N14 115.4(3) . . ?
N13 C41 C40 120.8(4) . . ?
N14 C41 C40 123.6(4) . . ?
N15 C42 N14 115.2(3) . . ?
N15 C42 C43 120.4(4) . . ?
N14 C42 C43 124.3(3) . . ?
C44 C43 C42 119.7(4) . . ?
C43 C44 C45 120.5(4) . . ?
C44 C45 C46 117.6(4) . . ?
C44 C45 C47 125.3(4) . . ?
C46 C45 C47 117.1(4) . . ?
N15 C46 N16 115.7(3) . . ?
N15 C46 C45 122.1(3) . . ?
N16 C46 C45 122.1(4) . . ?
C48 C47 C45 121.0(4) . . ?
C47 C48 C49 120.0(4) . . ?
N16 C49 N17 115.0(3) . . ?
N16 C49 C48 119.9(4) . . ?
N17 C49 C48 125.0(4) . . ?
N18 C50 N17 114.9(3) . . ?
N18 C50 C51 120.1(4) . . ?
N17 C50 C51 124.7(4) . . ?
C52 C51 C50 120.1(4) . . ?
C51 C52 C53 119.5(4) . . ?
C54 C53 C52 118.7(4) . . ?
N18 C54 C53 123.0(4) . . ?
N19 C55 C56 123.4(4) . . ?
C55 C56 C57 118.3(4) . . ?
C58 C57 C56 119.6(4) . . ?
C57 C58 C59 120.2(4) . . ?
N19 C59 N20 114.3(3) . . ?
N19 C59 C58 120.4(4) . . ?
N20 C59 C58 125.0(4) . . ?
N21 C60 N20 115.3(3) . . ?
N21 C60 C61 120.3(4) . . ?
N20 C60 C61 124.3(4) . . ?
C62 C61 C60 119.7(4) . . ?
C61 C62 C63 121.1(4) . . ?
C65 C63 C64 117.9(4) . . ?
C65 C63 C62 125.2(4) . . ?
C64 C63 C62 116.9(4) . . ?
N22 C64 N21 116.2(3) . . ?
N22 C64 C63 121.7(4) . . ?
N21 C64 C63 122.2(4) . . ?
C66 C65 C63 120.4(4) . . ?
C65 C66 C67 119.6(4) . . ?
N22 C67 N23 115.2(3) . . ?
N22 C67 C66 120.5(4) . . ?
N23 C67 C66 124.1(4) . . ?
N24 C68 C69 121.4(4) . . ?
N24 C68 N23 114.5(3) . . ?
C69 C68 N23 123.8(4) . . ?
C70 C69 C68 119.7(4) . . ?
C69 C70 C71 119.4(4) . . ?
C72 C71 C70 118.4(4) . . ?
N24 C72 C71 123.4(4) . . ?
F3 C73 F2 108.8(4) . . ?
F3 C73 F1 107.7(4) . . ?
F2 C73 F1 107.4(4) . . ?
F3 C73 S1 110.4(4) . . ?
F2 C73 S1 110.8(3) . . ?
F1 C73 S1 111.7(3) . . ?
F6 C74 F5 108.4(4) . . ?
F6 C74 F4 108.2(5) . . ?
F5 C74 F4 107.0(4) . . ?
F6 C74 S2 111.8(4) . . ?
F5 C74 S2 111.2(4) . . ?
F4 C74 S2 110.1(4) . . ?
F7 C75 F9 104.1(4) . . ?
F7 C75 F8 106.6(4) . . ?
F9 C75 F8 107.2(4) . . ?
F7 C75 S3 112.8(4) . . ?
F9 C75 S3 112.8(4) . . ?
F8 C75 S3 112.7(3) . . ?
F12 C76 F11 104.5(8) . . ?
F12 C76 F10 104.4(8) . . ?
F11 C76 F10 104.0(7) . . ?
F12 C76 S4 120.1(6) . . ?
F11 C76 S4 113.1(6) . . ?
F10 C76 S4 109.3(6) . . ?
O2 S1 O3 116.36(18) . . ?
O2 S1 O1 114.10(18) . . ?
O3 S1 O1 113.63(18) . . ?
O2 S1 C73 104.8(2) . . ?
O3 S1 C73 103.3(2) . . ?
O1 S1 C73 102.4(2) . . ?
O6 S2 O5 116.5(2) . . ?
O6 S2 O4 113.8(2) . . ?
O5 S2 O4 113.7(2) . . ?
O6 S2 C74 104.4(2) . . ?
O5 S2 C74 103.9(2) . . ?
O4 S2 C74 102.3(2) . . ?
O7 S3 O8 115.8(4) . . ?
O7 S3 O9 115.0(4) . . ?
O8 S3 O9 114.1(4) . . ?
O7 S3 C75 104.1(3) . . ?
O8 S3 C75 102.5(2) . . ?
O9 S3 C75 102.9(2) . . ?
O10 S4 O11 115.7(3) . . ?
O10 S4 O12 113.8(4) . . ?
O11 S4 O12 114.1(3) . . ?
O10 S4 C76 105.9(3) . . ?
O11 S4 C76 102.9(4) . . ?
O12 S4 C76 102.4(5) . . ?
S1 O1 Co1 154.85(18) . . ?
S2 O4 Co6 163.9(2) . . ?
Cl1 C77 Cl2 111.0(3) . . ?
Cl4 C78 Cl3 117.3(6) . . ?
Cl5 C79 Cl6 112.8(4) . . ?
Cl8 C80 Cl7 111.9(3) . . ?
Cl10 C81 Cl9 106.2(7) . . ?
Cl12 C82 Cl11 111.0(7) . . ?
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 N1 1.961(3) . ?
Co1 N7 1.962(3) . ?
Co1 N13 1.965(3) . ?
Co1 N19 1.990(3) . ?
Co1 O1 2.196(3) . ?
Co1 Co2 2.2742(7) . ?
Co2 N20 1.904(3) . ?
Co2 N2 1.908(3) . ?
Co2 N14 1.915(3) . ?
Co2 N8 1.920(3) . ?
Co2 Co3 2.2417(7) . ?
Co3 N15 1.927(3) . ?
Co3 N9 1.933(3) . ?
Co3 N21 1.937(3) . ?
Co3 N3 1.938(3) . ?
Co3 Co4 2.2665(7) . ?
Co4 N16 1.930(3) . ?
Co4 N10 1.935(3) . ?
Co4 N4 1.936(3) . ?
Co4 N22 1.938(3) . ?
Co4 Co5 2.2442(7) . ?
Co5 N23 1.894(3) . ?
Co5 N5 1.904(3) . ?
Co5 N11 1.915(3) . ?
Co5 N17 1.925(3) . ?
Co5 Co6 2.2912(7) . ?
Co6 N18 1.958(3) . ?
Co6 N24 1.970(3) . ?
Co6 N12 1.973(3) . ?
Co6 N6 1.982(3) . ?
Co6 O4 2.249(3) . ?
N1 C1 1.353(5) . ?
N1 C5 1.361(5) . ?
N2 C6 1.355(5) . ?
N2 C5 1.382(5) . ?
N3 C10 1.362(5) . ?
N3 C6 1.365(5) . ?
N4 C13 1.363(5) . ?
N4 C10 1.369(5) . ?
N5 C13 1.358(5) . ?
N5 C14 1.374(5) . ?
N6 C18 1.358(5) . ?
N6 C14 1.371(5) . ?
N7 C19 1.350(5) . ?
N7 C23 1.360(5) . ?
N8 C24 1.361(5) . ?
N8 C23 1.377(5) . ?
N9 C24 1.358(5) . ?
N9 C28 1.362(5) . ?
N10 C31 1.350(5) . ?
N10 C28 1.370(5) . ?
N11 C31 1.361(5) . ?
N11 C32 1.388(5) . ?
N12 C32 1.355(5) . ?
N12 C36 1.356(5) . ?
N13 C37 1.347(5) . ?
N13 C41 1.359(5) . ?
N14 C42 1.367(5) . ?
N14 C41 1.377(5) . ?
N15 C42 1.355(5) . ?
N15 C46 1.360(5) . ?
N16 C49 1.363(5) . ?
N16 C46 1.366(5) . ?
N17 C49 1.363(5) . ?
N17 C50 1.375(5) . ?
N18 C54 1.353(5) . ?
N18 C50 1.361(5) . ?
N19 C55 1.352(5) . ?
N19 C59 1.366(5) . ?
N20 C60 1.368(5) . ?
N20 C59 1.378(5) . ?
N21 C60 1.354(5) . ?
N21 C64 1.363(5) . ?
N22 C67 1.353(5) . ?
N22 C64 1.361(5) . ?
N23 C67 1.365(5) . ?
N23 C68 1.390(5) . ?
N24 C72 1.356(5) . ?
N24 C68 1.360(5) . ?
C1 C2 1.363(6) . ?
C2 C3 1.390(6) . ?
C3 C4 1.375(6) . ?
C4 C5 1.399(6) . ?
C6 C7 1.424(5) . ?
C7 C8 1.341(6) . ?
C8 C9 1.415(6) . ?
C9 C10 1.407(5) . ?
C9 C11 1.408(6) . ?
C11 C12 1.363(6) . ?
C12 C13 1.406(5) . ?
C14 C15 1.395(6) . ?
C15 C16 1.377(6) . ?
C16 C17 1.395(6) . ?
C17 C18 1.359(6) . ?
C19 C20 1.363(6) . ?
C20 C21 1.393(6) . ?
C21 C22 1.374(6) . ?
C22 C23 1.402(6) . ?
C24 C25 1.424(5) . ?
C25 C26 1.359(6) . ?
C26 C27 1.411(6) . ?
C27 C28 1.406(5) . ?
C27 C29 1.410(6) . ?
C29 C30 1.371(6) . ?
C30 C31 1.426(5) . ?
C32 C33 1.405(6) . ?
C33 C34 1.381(6) . ?
C34 C35 1.386(7) . ?
C35 C36 1.369(6) . ?
C37 C38 1.379(6) . ?
C38 C39 1.382(6) . ?
C39 C40 1.385(6) . ?
C40 C41 1.406(6) . ?
C42 C43 1.424(5) . ?
C43 C44 1.361(6) . ?
C44 C45 1.404(6) . ?
C45 C46 1.408(5) . ?
C45 C47 1.410(6) . ?
C47 C48 1.353(6) . ?
C48 C49 1.422(6) . ?
C50 C51 1.408(6) . ?
C51 C52 1.364(6) . ?
C52 C53 1.381(6) . ?
C53 C54 1.375(6) . ?
C55 C56 1.373(6) . ?
C56 C57 1.384(6) . ?
C57 C58 1.362(6) . ?
C58 C59 1.399(6) . ?
C60 C61 1.424(6) . ?
C61 C62 1.347(6) . ?
C62 C63 1.418(6) . ?
C63 C65 1.399(6) . ?
C63 C64 1.405(5) . ?
C65 C66 1.365(6) . ?
C66 C67 1.415(6) . ?
C68 C69 1.389(6) . ?
C69 C70 1.368(6) . ?
C70 C71 1.394(6) . ?
C71 C72 1.365(6) . ?
C73 F3 1.320(6) . ?
C73 F2 1.322(6) . ?
C73 F1 1.322(6) . ?
C73 S1 1.826(5) . ?
C74 F6 1.303(6) . ?
C74 F5 1.322(6) . ?
C74 F4 1.340(6) . ?
C74 S2 1.830(6) . ?
C75 F7 1.312(6) . ?
C75 F9 1.320(6) . ?
C75 F8 1.324(6) . ?
C75 S3 1.820(5) . ?
C76 F12 1.247(8) . ?
C76 F11 1.329(9) . ?
C76 F10 1.363(11) . ?
C76 S4 1.750(8) . ?
S1 O2 1.431(3) . ?
S1 O3 1.437(3) . ?
S1 O1 1.452(3) . ?
S2 O6 1.427(4) . ?
S2 O5 1.437(4) . ?
S2 O4 1.457(3) . ?
S3 O7 1.392(4) . ?
S3 O8 1.398(4) . ?
S3 O9 1.404(4) . ?
S4 O10 1.405(5) . ?
S4 O11 1.427(4) . ?
S4 O12 1.435(6) . ?
C77 Cl1 1.749(6) . ?
C77 Cl2 1.757(6) . ?
C78 Cl4 1.665(10) . ?
C78 Cl3 1.680(9) . ?
C79 Cl5 1.740(7) . ?
C79 Cl6 1.746(6) . ?
C80 Cl8 1.707(8) . ?
C80 Cl7 1.775(7) . ?
C81 Cl10 1.714(13) . ?
C81 Cl9 1.721(15) . ?
C82 Cl12 1.694(8) . ?
C82 Cl11 1.765(11) . ?
