#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:42:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179803 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/99/7009991.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_7009991
loop_
_publ_author_name
'Brechin, Euan K.'
'Graham, Alasdair'
'Parkin, Andrew'
'Parsons, Simon'
'Seddon, Annela M.'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Structural studies of heptanuclear cobalt complexes and larger
 oligomers based on heptanuclear fragments
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3242
_journal_paper_doi               10.1039/b005019i
_journal_year                    2000
_chemical_formula_sum            'C69.57 H73.94 Cl8.69 Co7 N11.75 O18.69'
_chemical_formula_weight         2094.30
_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                90.537(14)
_cell_angle_beta                 93.796(17)
_cell_angle_gamma                113.40(2)
_cell_formula_units_Z            2
_cell_length_a                   14.407(4)
_cell_length_b                   14.512(4)
_cell_length_c                   23.321(6)
_cell_measurement_temperature    220(2)
_cell_volume                     4462(2)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.824
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measurement_method       Omega-theta
_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  0.3462
_diffrn_reflns_av_sigmaI/netI    0.1353
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10286
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.57
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.598
_exptl_absorpt_correction_T_max  0.7994
_exptl_absorpt_correction_T_min  0.6994
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1022
_refine_ls_number_reflns         9627
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1598
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0441P)²+39.9446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1943
_reflns_number_gt                5168
_reflns_number_total             9627
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b005019i.txt
_cod_data_source_block           wagchp
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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.

'_exptl_absorpt_correction_type' value 'Psi-scan' changed to
'psi-scan' 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      P-1
_cod_database_code               7009991
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
Co4 Co 0.54995(15) 0.84913(14) 0.18665(8) 0.0469(6) Uani 1 1 d . . .
Co5 Co 0.40704(16) 0.63059(15) 0.19377(9) 0.0570(6) Uani 1 1 d . . .
Co6 Co 0.60788(14) 0.62635(14) 0.24313(8) 0.0451(5) Uani 1 1 d . . .
Co7 Co 0.89716(14) 0.81493(14) 0.24930(8) 0.0450(5) Uani 1 1 d . . .
Co3 Co 0.84320(14) 1.01160(14) 0.20702(8) 0.0477(6) Uani 1 1 d . . .
Co2 Co 0.52451(14) 0.75581(13) 0.33664(8) 0.0433(5) Uani 1 1 d . . .
Co1 Co 0.75829(13) 0.89463(13) 0.32067(8) 0.0389(5) Uani 1 1 d . . .
O2 O 0.5694(6) 0.7169(6) 0.1872(4) 0.049(2) Uani 1 1 d . . .
H2 H 0.5859 0.7037 0.1483 0.058 Uiso 1 1 calc R . .
O1 O 0.7934(6) 0.8736(6) 0.2371(3) 0.038(2) Uani 1 1 d . . .
H1 H 0.7327 0.8271 0.2136 0.046 Uiso 1 1 calc R . .
O1B O 0.7415(7) 0.9219(6) 0.4035(4) 0.048(3) Uani 1 1 d . . .
O2B O 0.5772(7) 0.8277(7) 0.4132(4) 0.050(3) Uani 1 1 d . . .
C1B C 0.6660(13) 0.8904(11) 0.4319(6) 0.042(4) Uani 1 1 d . . .
C2B C 0.6786(10) 0.9270(10) 0.4942(6) 0.062(5) Uani 1 1 d D A .
C3B C 0.7806(16) 1.0095(18) 0.5113(13) 0.087(11) Uiso 0.53 1 d PD A 1
H3B1 H 0.7858 1.0704 0.4924 0.131 Uiso 0.53 1 d PR A 1
H3B2 H 0.8337 0.9897 0.4998 0.131 Uiso 0.53 1 d PR A 1
H3B3 H 0.7879 1.0216 0.5527 0.131 Uiso 0.53 1 d PR A 1
C4B C 0.669(3) 0.8363(18) 0.5290(14) 0.121(14) Uiso 0.53 1 d PD A 1
H4B1 H 0.5999 0.8027 0.5393 0.181 Uiso 0.53 1 d PR A 1
H4B2 H 0.7146 0.8574 0.5637 0.181 Uiso 0.53 1 d PR A 1
H4B3 H 0.6870 0.7904 0.5060 0.181 Uiso 0.53 1 d PR A 1
C5B C 0.5950(19) 0.959(2) 0.5088(16) 0.130(16) Uiso 0.53 1 d PD A 1
H5B1 H 0.5316 0.9005 0.5101 0.196 Uiso 0.53 1 d PR A 1
H5B2 H 0.5871 1.0032 0.4798 0.196 Uiso 0.53 1 d PR A 1
H5B3 H 0.6131 0.9942 0.5461 0.196 Uiso 0.53 1 d PR A 1
C3B' C 0.5829(17) 0.891(2) 0.5251(13) 0.075(11) Uiso 0.47 1 d PD A 2
H3B4 H 0.5312 0.9060 0.5034 0.112 Uiso 0.47 1 d PR A 2
H3B5 H 0.5973 0.9248 0.5627 0.112 Uiso 0.47 1 d PR A 2
H3B6 H 0.5589 0.8190 0.5295 0.112 Uiso 0.47 1 d PR A 2
C4B' C 0.720(2) 1.0403(14) 0.4918(15) 0.098(13) Uiso 0.47 1 d PD A 2
H4B4 H 0.7360 1.0696 0.5306 0.148 Uiso 0.47 1 d PR A 2
H4B5 H 0.6700 1.0602 0.4720 0.148 Uiso 0.47 1 d PR A 2
H4B6 H 0.7811 1.0636 0.4712 0.148 Uiso 0.47 1 d PR A 2
C5B' C 0.757(2) 0.897(3) 0.5245(14) 0.106(14) Uiso 0.47 1 d PD A 2
H5B4 H 0.8132 0.9562 0.5409 0.159 Uiso 0.47 1 d PR A 2
H5B5 H 0.7817 0.8624 0.4974 0.159 Uiso 0.47 1 d PR A 2
H5B6 H 0.7265 0.8523 0.5550 0.159 Uiso 0.47 1 d PR A 2
O2C O 0.3539(8) 0.6599(9) 0.1157(5) 0.074(3) Uani 1 1 d . . .
O1C O 0.4687(9) 0.8199(8) 0.1100(4) 0.063(3) Uani 1 1 d . . .
C1C C 0.3909(15) 0.7419(16) 0.0910(7) 0.065(5) Uani 1 1 d . . .
C2C C 0.3383(13) 0.7531(13) 0.0347(7) 0.070(5) Uani 1 1 d . . .
C3C C 0.2519(16) 0.7747(19) 0.0511(9) 0.140(9) Uani 1 1 d . . .
H3C1 H 0.2363 0.8156 0.0225 0.210 Uiso 1 1 d R C .
H3C2 H 0.2691 0.8105 0.0882 0.210 Uiso 1 1 d R . .
H3C3 H 0.1933 0.7120 0.0536 0.210 Uiso 1 1 d R . .
C4C C 0.307(2) 0.6600(19) -0.0018(9) 0.191(14) Uani 1 1 d . . .
H4C1 H 0.3584 0.6329 0.0029 0.287 Uiso 1 1 d R C .
H4C2 H 0.2991 0.6753 -0.0418 0.287 Uiso 1 1 d R . .
H4C3 H 0.2429 0.6110 0.0096 0.287 Uiso 1 1 d R . .
C5C C 0.4054(16) 0.8400(18) -0.0003(7) 0.137(9) Uani 1 1 d . . .
H5C1 H 0.4374 0.9000 0.0245 0.205 Uiso 1 1 d R C .
H5C2 H 0.3642 0.8523 -0.0314 0.205 Uiso 1 1 d R . .
H5C3 H 0.4573 0.8226 -0.0160 0.205 Uiso 1 1 d R . .
O1D O 0.3979(9) 0.4975(8) 0.1627(5) 0.075(3) Uani 1 1 d . . .
O2D O 0.5497(9) 0.5001(7) 0.1920(5) 0.059(3) Uani 1 1 d . . .
C1D C 0.4673(17) 0.4650(12) 0.1614(7) 0.066(5) Uani 1 1 d . . .
C2D C 0.4456(9) 0.3768(10) 0.1178(6) 0.069(5) Uani 1 1 d D B .
C3D C 0.523(2) 0.332(3) 0.1324(15) 0.076(14) Uiso 0.42 1 d PD B 1
H3D1 H 0.5914 0.3838 0.1308 0.114 Uiso 0.42 1 d PR B 1
H3D2 H 0.5133 0.2779 0.1050 0.114 Uiso 0.42 1 d PR B 1
H3D3 H 0.5151 0.3068 0.1708 0.114 Uiso 0.42 1 d PR B 1
C4D C 0.462(2) 0.423(2) 0.0595(9) 0.040(10) Uiso 0.42 1 d PD B 1
H4D1 H 0.5258 0.4819 0.0616 0.060 Uiso 0.42 1 d PR B 1
H4D2 H 0.4069 0.4436 0.0482 0.060 Uiso 0.42 1 d PR B 1
H4D3 H 0.4637 0.3747 0.0312 0.060 Uiso 0.42 1 d PR B 1
C5D C 0.3391(16) 0.297(3) 0.1193(18) 0.13(2) Uiso 0.42 1 d PD B 1
H5D1 H 0.3184 0.2598 0.0826 0.198 Uiso 0.42 1 d PR B 1
H5D2 H 0.2931 0.3290 0.1264 0.198 Uiso 0.42 1 d PR B 1
H5D3 H 0.3373 0.2512 0.1496 0.198 Uiso 0.42 1 d PR B 1
C3D' C 0.3325(13) 0.330(2) 0.1007(12) 0.087(11) Uiso 0.58 1 d PD B 2
H3D4 H 0.3125 0.3790 0.0816 0.131 Uiso 0.58 1 d PR B 2
H3D5 H 0.2955 0.3085 0.1348 0.131 Uiso 0.58 1 d PR B 2
H3D6 H 0.3172 0.2723 0.0747 0.131 Uiso 0.58 1 d PR B 2
C4D' C 0.481(2) 0.302(2) 0.1452(13) 0.096(12) Uiso 0.58 1 d PD B 2
H4D4 H 0.4545 0.2398 0.1218 0.144 Uiso 0.58 1 d PR B 2
H4D5 H 0.4575 0.2882 0.1834 0.144 Uiso 0.58 1 d PR B 2
H4D6 H 0.5549 0.3284 0.1479 0.144 Uiso 0.58 1 d PR B 2
C5D' C 0.504(2) 0.424(2) 0.0666(10) 0.092(13) Uiso 0.58 1 d PD B 2
H5D4 H 0.4772 0.4698 0.0492 0.138 Uiso 0.58 1 d PR B 2
H5D5 H 0.4976 0.3717 0.0386 0.138 Uiso 0.58 1 d PR B 2
H5D6 H 0.5749 0.4607 0.0794 0.138 Uiso 0.58 1 d PR B 2
O2A O 1.0304(7) 0.9296(8) 0.2440(4) 0.061(3) Uani 1 1 d . . .
O1A O 0.9926(7) 1.0627(7) 0.2271(4) 0.061(3) Uani 1 1 d . . .
C1A C 1.0538(13) 1.0208(12) 0.2395(6) 0.052(4) Uani 1 1 d . . .
C2A C 1.1666(11) 1.0919(12) 0.2478(7) 0.061(4) Uani 1 1 d . . .
C3A C 1.1843(12) 1.2030(11) 0.2429(7) 0.080(5) Uani 1 1 d . . .
H3A1 H 1.2562 1.2430 0.2410 0.121 Uiso 1 1 d R C .
H3A2 H 1.1606 1.2250 0.2762 0.121 Uiso 1 1 d R . .
H3A3 H 1.1474 1.2112 0.2083 0.121 Uiso 1 1 d R . .
C4A C 1.2186(11) 1.0600(12) 0.1992(7) 0.080(5) Uani 1 1 d . . .
H4A1 H 1.2909 1.1008 0.2029 0.120 Uiso 1 1 d R C .
H4A2 H 1.1901 1.0697 0.1620 0.120 Uiso 1 1 d R . .
H4A3 H 1.2070 0.9898 0.2025 0.120 Uiso 1 1 d R . .
C5A C 1.2128(13) 1.0750(13) 0.3057(8) 0.092(6) Uani 1 1 d . . .
H5A1 H 1.1801 1.0923 0.3367 0.139 Uiso 1 1 d R C .
H5A2 H 1.2848 1.1171 0.3094 0.139 Uiso 1 1 d R . .
H5A3 H 1.2028 1.0050 0.3078 0.139 Uiso 1 1 d R . .
N17 N 0.8984(10) 0.7217(10) 0.1824(5) 0.060(4) Uani 1 1 d . . .
O27 O 0.7566(7) 0.6688(7) 0.2279(4) 0.059(3) Uani 1 1 d . . .
C27 C 0.8067(13) 0.6428(13) 0.1903(7) 0.061(4) Uani 1 1 d . . .
C37 C 0.7759(15) 0.5479(14) 0.1636(8) 0.098(7) Uani 1 1 d . . .
H37 H 0.7123 0.4969 0.1692 0.117 Uiso 1 1 calc R . .
C47 C 0.8402(18) 0.5314(17) 0.1293(10) 0.127(9) Uani 1 1 d . . .
H47 H 0.8234 0.4672 0.1124 0.153 Uiso 1 1 calc R C .
C57 C 0.932(2) 0.610(2) 0.1190(9) 0.137(10) Uani 1 1 d . . .
H57 H 0.9766 0.6003 0.0944 0.165 Uiso 1 1 calc R . .
C67 C 0.9560(12) 0.7013(16) 0.1452(8) 0.087(6) Uani 1 1 d . . .
Cl7 Cl 1.0684(3) 0.8049(5) 0.1358(2) 0.113(2) Uani 1 1 d . . .
N12 N 0.8299(10) 1.0043(9) 0.1171(5) 0.054(3) Uani 1 1 d . . .
O22 O 0.6847(7) 0.9407(7) 0.1582(4) 0.055(3) Uani 1 1 d . . .
C22 C 0.7265(13) 0.9590(10) 0.1094(7) 0.050(4) Uani 1 1 d . . .
C32 C 0.6773(15) 0.9440(13) 0.0553(7) 0.083(6) Uani 1 1 d . . .
H32 H 0.6061 0.9131 0.0503 0.100 Uiso 1 1 calc R . .
C42 C 0.7349(19) 0.9756(17) 0.0085(8) 0.106(7) Uani 1 1 d . . .
H42 H 0.7020 0.9675 -0.0285 0.127 Uiso 1 1 calc R C .
C52 C 0.8387(19) 1.0185(15) 0.0149(8) 0.098(7) Uani 1 1 d . . .
H52 H 0.8782 1.0392 -0.0168 0.118 Uiso 1 1 calc R . .
C62 C 0.8813(12) 1.0294(12) 0.0696(9) 0.072(5) Uani 1 1 d . . .
Cl2 Cl 1.0139(4) 1.0892(4) 0.0843(2) 0.117(2) Uani 1 1 d . . .
N18 N 0.9299(8) 0.7531(9) 0.3242(5) 0.044(3) Uani 1 1 d . . .
O28 O 0.9008(6) 0.8902(7) 0.3433(4) 0.048(3) Uani 1 1 d . . .
C28 C 0.9297(10) 0.8248(12) 0.3629(7) 0.048(4) Uani 1 1 d . . .
C38 C 0.9655(11) 0.8253(12) 0.4201(7) 0.059(4) Uani 1 1 d . . .
H38 H 0.9712 0.8777 0.4459 0.071 Uiso 1 1 calc R . .
C48 C 0.9919(12) 0.7499(14) 0.4383(7) 0.071(5) Uani 1 1 d . . .
H48 H 1.0140 0.7489 0.4770 0.085 Uiso 1 1 calc R C .
C58 C 0.9860(12) 0.6733(14) 0.3989(8) 0.071(5) Uani 1 1 d . . .
H58 H 1.0036 0.6201 0.4105 0.085 Uiso 1 1 calc R . .
C68 C 0.9541(11) 0.6793(11) 0.3438(7) 0.057(4) Uani 1 1 d . . .
Cl8 Cl 0.9477(4) 0.5878(3) 0.2945(2) 0.0946(16) Uani 1 1 d . . .
N14 N 0.3846(8) 0.7747(8) 0.3184(6) 0.046(3) Uani 1 1 d . . .
O24 O 0.4196(7) 0.7647(7) 0.2274(4) 0.052(3) Uani 1 1 d . . .
C24 C 0.3611(11) 0.7804(10) 0.2629(8) 0.049(4) Uani 1 1 d . . .
C34 C 0.2759(11) 0.7990(12) 0.2424(8) 0.070(5) Uani 1 1 d . . .
H34 H 0.2629 0.8055 0.2030 0.084 Uiso 1 1 calc R . .
C44 C 0.2134(12) 0.8074(12) 0.2812(9) 0.078(5) Uani 1 1 d . . .
H44 H 0.1546 0.8169 0.2685 0.093 Uiso 1 1 calc R C .
C54 C 0.2356(13) 0.8019(12) 0.3397(8) 0.073(5) Uani 1 1 d . . .
H54 H 0.1939 0.8091 0.3672 0.088 Uiso 1 1 calc R . .
C64 C 0.3203(13) 0.7857(11) 0.3553(7) 0.068(5) Uani 1 1 d . . .
Cl4 Cl 0.3461(3) 0.7718(4) 0.42786(19) 0.0863(15) Uani 1 1 d . . .
N15 N 0.4516(8) 0.6042(8) 0.3692(5) 0.040(3) Uani 1 1 d . . .
O25 O 0.4687(6) 0.6187(6) 0.2762(4) 0.045(2) Uani 1 1 d . . .
C25 C 0.4286(11) 0.5533(13) 0.3179(8) 0.055(4) Uani 1 1 d . . .
C35 C 0.3776(11) 0.4523(11) 0.3104(7) 0.060(4) Uani 1 1 d . . .
H35 H 0.3621 0.4208 0.2736 0.072 Uiso 1 1 calc R . .
C45 C 0.3497(14) 0.3984(13) 0.3584(8) 0.081(5) Uani 1 1 d . . .
H45 H 0.3137 0.3284 0.3548 0.097 Uiso 1 1 calc R C .
C55 C 0.3738(11) 0.4456(13) 0.4123(8) 0.065(5) Uani 1 1 d . . .
H55 H 0.3564 0.4087 0.4457 0.078 Uiso 1 1 calc R . .
C65 C 0.4243(11) 0.5484(12) 0.4155(6) 0.051(4) Uani 1 1 d . . .
Cl5 Cl 0.4560(3) 0.6092(3) 0.48200(17) 0.0763(13) Uani 1 1 d . . .
N11 N 0.8139(9) 1.1357(9) 0.2333(5) 0.053(3) Uani 1 1 d . . .
O21 O 0.8351(7) 1.0461(7) 0.3053(4) 0.052(3) Uani 1 1 d . . .
C21 C 0.8255(10) 1.1265(11) 0.2906(7) 0.049(4) Uani 1 1 d . . .
C31 C 0.8277(12) 1.2033(13) 0.3299(8) 0.072(5) Uani 1 1 d . . .
H31 H 0.8383 1.1995 0.3698 0.087 Uiso 1 1 calc R . .
C41 C 0.8137(13) 1.2826(13) 0.3060(9) 0.071(5) Uani 1 1 d . . .
H41 H 0.8148 1.3345 0.3308 0.085 Uiso 1 1 calc R C .
C51 C 0.7987(14) 1.2911(13) 0.2505(10) 0.089(6) Uani 1 1 d . . .
H51 H 0.7876 1.3467 0.2365 0.107 Uiso 1 1 calc R . .
C61 C 0.7994(13) 1.2166(13) 0.2127(6) 0.067(5) Uani 1 1 d . . .
Cl1 Cl 0.7808(6) 1.2166(4) 0.1400(2) 0.142(3) Uani 1 1 d . . .
N13 N 0.5472(9) 0.9710(8) 0.2314(5) 0.048(3) Uani 1 1 d . . .
O23 O 0.6103(6) 0.8856(6) 0.2898(4) 0.040(2) Uani 1 1 d . . .
C23 C 0.5821(10) 0.9627(10) 0.2852(7) 0.038(4) Uani 1 1 d . . .
C33 C 0.5826(12) 1.0261(11) 0.3299(7) 0.063(5) Uani 1 1 d . . .
H33 H 0.6047 1.0181 0.3676 0.076 Uiso 1 1 calc R . .
C43 C 0.5496(12) 1.1020(12) 0.3176(8) 0.070(5) Uani 1 1 d . . .
H43 H 0.5510 1.1470 0.3473 0.084 Uiso 1 1 calc R C .
C53 C 0.5156(12) 1.1123(12) 0.2638(8) 0.065(5) Uani 1 1 d . . .
H53 H 0.4923 1.1629 0.2552 0.078 Uiso 1 1 calc R . .
C63 C 0.5165(10) 1.0451(12) 0.2221(7) 0.053(4) Uani 1 1 d . . .
Cl3 Cl 0.4734(4) 1.0525(4) 0.1519(2) 0.0976(17) Uani 1 1 d . . .
N16 N 0.6473(7) 0.5761(8) 0.3223(4) 0.039(3) Uani 1 1 d D . .
O26 O 0.6660(6) 0.7362(6) 0.3240(3) 0.039(2) Uani 1 1 d D . .
C26 C 0.6775(10) 0.6642(11) 0.3513(6) 0.039(4) Uani 1 1 d D . .
C36 C 0.7208(10) 0.6764(9) 0.4081(6) 0.045(4) Uani 1 1 d D . .
H36 H 0.7414 0.7386 0.4283 0.054 Uiso 1 1 calc R . .
C46 C 0.7326(11) 0.5969(12) 0.4337(6) 0.056(4) Uani 1 1 d D . .
H46 H 0.7607 0.6030 0.4718 0.067 Uiso 1 1 calc R C .
C56 C 0.7014(11) 0.5059(12) 0.4015(7) 0.058(4) Uani 1 1 d D . .
H56 H 0.7108 0.4506 0.4173 0.069 Uiso 1 1 calc R . .
C66 C 0.6584(10) 0.4985(10) 0.3480(6) 0.044(4) Uani 1 1 d D . .
Cl6 Cl 0.6169(3) 0.3897(3) 0.30670(19) 0.0768(13) Uani 1 1 d D . .
N19 N 0.1746(16) 0.4928(17) 0.1400(8) 0.150(11) Uiso 0.69 1 d PD C 1
H19 H 0.2223 0.5353 0.1210 0.180 Uiso 0.69 1 calc PR C 1
O29 O 0.2608(10) 0.5574(10) 0.2224(5) 0.100(4) Uiso 0.69 1 d PD C 1
C29 C 0.1785(18) 0.495(2) 0.1973(9) 0.140(13) Uiso 0.69 1 d PD C 1
C39 C 0.104(2) 0.428(2) 0.2300(10) 0.161(15) Uiso 0.69 1 d PD C 1
H39 H 0.1049 0.4387 0.2699 0.193 Uiso 0.69 1 calc PR C 1
C49 C 0.030(3) 0.347(2) 0.2015(12) 0.23(2) Uiso 0.69 1 d PD C 1
H49 H -0.0191 0.2967 0.2211 0.281 Uiso 0.69 1 calc PR C 1
C59 C 0.032(3) 0.341(2) 0.1414(12) 0.25(2) Uiso 0.69 1 d PD C 1
H59 H -0.0099 0.2813 0.1207 0.297 Uiso 0.69 1 calc PR C 1
C69 C 0.092(2) 0.420(2) 0.1137(9) 0.144(13) Uiso 0.69 1 d PD C 1
Cl69 Cl 0.0790(13) 0.4277(13) 0.0416(7) 0.290(8) Uiso 0.69 1 d PD C 1
N1S N 0.2608(10) 0.5574(10) 0.2224(5) 0.100(4) Uiso 0.31 1 d PD C 2
C2S C 0.195(3) 0.505(3) 0.252(2) 0.080(17) Uiso 0.31 1 d PD C 2
C3S C 0.108(3) 0.434(3) 0.281(2) 0.080(17) Uiso 0.31 1 d PD C 2
H3S1 H 0.0503 0.4517 0.2744 0.120 Uiso 0.31 1 d PR C 2
H3S2 H 0.1269 0.4364 0.3214 0.120 Uiso 0.31 1 d PR C 2
H3S3 H 0.0906 0.3663 0.2648 0.120 Uiso 0.31 1 d PR C 2
N1X N 0.138(3) 0.510(3) 0.4184(14) 0.144(14) Uiso 0.50 1 d PD D 1
C2X C 0.146(2) 0.542(2) 0.4669(14) 0.064(9) Uiso 0.50 1 d PD D 1
C3X C 0.145(4) 0.603(4) 0.5185(19) 0.15(2) Uiso 0.50 1 d PD D 1
H3X1 H 0.1860 0.5920 0.5504 0.227 Uiso 0.50 1 d PR D 1
H3X2 H 0.0757 0.5820 0.5288 0.227 Uiso 0.50 1 d PR D 1
H3X3 H 0.1720 0.6736 0.5101 0.227 Uiso 0.50 1 d PR D 1
N1X' N 0.113(5) 0.617(4) 0.541(2) 0.09(2) Uiso 0.25 1 d PD E 2
C2X' C 0.117(4) 0.563(4) 0.502(2) 0.030(13) Uiso 0.25 1 d PD E 2
C3X' C 0.085(5) 0.485(5) 0.454(3) 0.09(2) Uiso 0.25 1 d PD E 2
H3X4 H 0.1411 0.4931 0.4308 0.141 Uiso 0.25 1 d PR E 2
H3X5 H 0.0315 0.4939 0.4304 0.141 Uiso 0.25 1 d PR E 2
H3X6 H 0.0596 0.4187 0.4695 0.141 Uiso 0.25 1 d PR E 2
N1Y N 0.6645(14) 0.7027(14) 0.0845(7) 0.119(7) Uani 1 1 d D . .
C2Y C 0.7417(13) 0.7308(14) 0.0615(8) 0.095(7) Uani 1 1 d D . .
C3Y C 0.8355(14) 0.767(2) 0.0314(10) 0.168(12) Uani 1 1 d D . .
H3Y1 H 0.8913 0.8117 0.0571 0.252 Uiso 1 1 d R . .
H3Y2 H 0.8271 0.8033 -0.0020 0.252 Uiso 1 1 d R . .
H3Y3 H 0.8500 0.7105 0.0191 0.252 Uiso 1 1 d R . .
N1Z N 0.1283(16) 0.2867(13) 0.4241(11) 0.171(10) Uani 1 1 d D . .
C2Z C 0.0749(14) 0.2008(13) 0.4152(8) 0.091(6) Uani 1 1 d D . .
C3Z C 0.0066(13) 0.0941(12) 0.4061(8) 0.098(6) Uani 1 1 d D . .
H3Z1 H 0.0449 0.0529 0.4132 0.147 Uiso 1 1 d R . .
H3Z2 H -0.0233 0.0819 0.3669 0.147 Uiso 1 1 d R . .
H3Z3 H -0.0466 0.0772 0.4325 0.147 Uiso 1 1 d R . .
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'
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
O1C Co4 O22 97.2(4) . . ?
O1C Co4 O2 95.3(4) . . ?
O22 Co4 O2 99.5(3) . . ?
O1C Co4 N13 113.3(5) . . ?
O22 Co4 N13 88.6(4) . . ?
O2 Co4 N13 149.1(4) . . ?
O1C Co4 O24 90.4(4) . . ?
O22 Co4 O24 171.8(4) . . ?
O2 Co4 O24 82.7(3) . . ?
N13 Co4 O24 85.6(4) . . ?
O1D Co5 O24 178.0(4) . . ?
O1D Co5 O2C 90.7(5) . . ?
O24 Co5 O2C 91.2(4) . . ?
O1D Co5 O29 88.9(5) . . ?
O24 Co5 O29 91.6(4) . . ?
O2C Co5 O29 93.5(5) . . ?
O1D Co5 O25 95.6(4) . . ?
O24 Co5 O25 82.5(3) . . ?
O2C Co5 O25 173.3(4) . . ?
O29 Co5 O25 89.0(4) . . ?
O1D Co5 O2 98.4(4) . . ?
O24 Co5 O2 80.7(3) . . ?
O2C Co5 O2 99.0(4) . . ?
O29 Co5 O2 165.4(4) . . ?
O25 Co5 O2 77.7(3) . . ?
O2D Co6 O27 98.2(4) . . ?
O2D Co6 O2 96.6(4) . . ?
O27 Co6 O2 99.8(4) . . ?
O2D Co6 N16 103.5(4) . . ?
O27 Co6 N16 85.6(4) . . ?
O2 Co6 N16 158.3(4) . . ?
O2D Co6 O25 98.4(4) . . ?
O27 Co6 O25 163.4(4) . . ?
O2 Co6 O25 79.3(3) . . ?
N16 Co6 O25 89.5(4) . . ?
O2D Co6 O26 162.5(4) . . ?
O27 Co6 O26 86.5(3) . . ?
O2 Co6 O26 99.3(3) . . ?
N16 Co6 O26 59.8(4) . . ?
O25 Co6 O26 77.4(3) . . ?
O2A Co7 O1 105.3(4) . . ?
O2A Co7 N17 101.0(5) . . ?
O1 Co7 N17 114.1(4) . . ?
O2A Co7 N18 99.4(4) . . ?
O1 Co7 N18 126.8(4) . . ?
N17 Co7 N18 106.1(5) . . ?
O2A Co7 O27 161.7(4) . . ?
O1 Co7 O27 81.2(3) . . ?
N17 Co7 O27 61.0(4) . . ?
N18 Co7 O27 89.6(4) . . ?
O1A Co3 O1 102.3(4) . . ?
O1A Co3 N12 103.9(5) . . ?
O1 Co3 N12 110.1(4) . . ?
O1A Co3 N11 100.8(4) . . ?
O1 Co3 N11 129.3(4) . . ?
N12 Co3 N11 107.1(5) . . ?
O1A Co3 O22 163.0(4) . . ?
O1 Co3 O22 79.6(3) . . ?
N12 Co3 O22 60.1(4) . . ?
N11 Co3 O22 90.5(4) . . ?
O1A Co3 O21 84.4(4) . . ?
O1 Co3 O21 79.1(3) . . ?
N12 Co3 O21 165.4(4) . . ?
N11 Co3 O21 59.1(4) . . ?
O22 Co3 O21 112.5(3) . . ?
O2B Co2 O23 93.1(4) . . ?
O2B Co2 N14 103.3(4) . . ?
O23 Co2 N14 93.0(4) . . ?
O2B Co2 N15 96.8(4) . . ?
O23 Co2 N15 165.6(4) . . ?
N14 Co2 N15 94.8(4) . . ?
O2B Co2 O26 93.3(3) . . ?
O23 Co2 O26 76.7(3) . . ?
N14 Co2 O26 161.0(4) . . ?
N15 Co2 O26 92.4(3) . . ?
O2B Co2 O25 153.6(4) . . ?
O23 Co2 O25 108.7(3) . . ?
N14 Co2 O25 90.6(4) . . ?
N15 Co2 O25 59.2(4) . . ?
O26 Co2 O25 78.1(3) . . ?
O1B Co1 O21 93.3(4) . . ?
O1B Co1 O1 173.5(4) . . ?
O21 Co1 O1 83.8(3) . . ?
O1B Co1 O28 91.2(3) . . ?
O21 Co1 O28 87.7(4) . . ?
O1 Co1 O28 83.0(3) . . ?
O1B Co1 O23 94.5(3) . . ?
O21 Co1 O23 95.8(3) . . ?
O1 Co1 O23 91.6(3) . . ?
O28 Co1 O23 173.2(3) . . ?
O1B Co1 O26 93.1(3) . . ?
O21 Co1 O26 171.2(3) . . ?
O1 Co1 O26 90.5(3) . . ?
O28 Co1 O26 98.2(3) . . ?
O23 Co1 O26 77.6(3) . . ?
Co4 O2 Co6 140.7(5) . . ?
Co4 O2 Co5 91.4(3) . . ?
Co6 O2 Co5 92.4(3) . . ?
Co3 O1 Co7 115.8(4) . . ?
Co3 O1 Co1 103.2(3) . . ?
Co7 O1 Co1 103.5(4) . . ?
C1B O1B Co1 131.0(9) . . ?
C1B O2B Co2 131.4(8) . . ?
O1B C1B O2B 125.4(13) . . ?
O1B C1B C2B 118.0(14) . . ?
O2B C1B C2B 116.5(12) . . ?
C5B' C2B C3B' 110.9(12) . . ?
C5B' C2B C3B 62.8(14) . . ?
C3B' C2B C3B 130(2) . . ?
C5B' C2B C5B 139(2) . . ?
C3B' C2B C5B 39.3(13) . . ?
C3B C2B C5B 110.2(12) . . ?
C5B' C2B C4B' 109.3(12) . . ?
C3B' C2B C4B' 109.1(11) . . ?
C3B C2B C4B' 46.6(13) . . ?
C5B C2B C4B' 72.8(14) . . ?
C5B' C2B C4B 48.2(13) . . ?
C3B' C2B C4B 69.4(13) . . ?
C3B C2B C4B 107.7(12) . . ?
C5B C2B C4B 108.0(12) . . ?
C4B' C2B C4B 147(2) . . ?
C5B' C2B C1B 107.3(17) . . ?
C3B' C2B C1B 115.3(17) . . ?
C3B C2B C1B 113.8(15) . . ?
C5B C2B C1B 111.8(19) . . ?
C4B' C2B C1B 104.6(17) . . ?
C4B C2B C1B 105.0(17) . . ?
C1C O2C Co5 125.0(11) . . ?
C1C O1C Co4 130.5(11) . . ?
O2C C1C O1C 126.0(16) . . ?
O2C C1C C2C 118.3(17) . . ?
O1C C1C C2C 115.7(18) . . ?
C3C C2C C4C 112.9(19) . . ?
C3C C2C C1C 105.1(14) . . ?
C4C C2C C1C 109.9(16) . . ?
C3C C2C C5C 108.5(17) . . ?
C4C C2C C5C 107.2(17) . . ?
C1C C2C C5C 113.4(16) . . ?
C1D O1D Co5 128.6(11) . . ?
C1D O2D Co6 128.9(11) . . ?
O2D C1D O1D 124.7(16) . . ?
O2D C1D C2D 120.1(18) . . ?
O1D C1D C2D 115.2(18) . . ?
C4D' C2D C5D' 112.3(11) . . ?
C4D' C2D C5D 86.6(18) . . ?
C5D' C2D C5D 129(2) . . ?
C4D' C2D C4D 131(2) . . ?
C5D' C2D C4D 23.3(15) . . ?
C5D C2D C4D 111.1(12) . . ?
C4D' C2D C3D' 111.4(11) . . ?
C5D' C2D C3D' 110.4(11) . . ?
C5D C2D C3D' 25.8(16) . . ?
C4D C2D C3D' 88.7(16) . . ?
C4D' C2D C3D 26.1(15) . . ?
C5D' C2D C3D 88.4(16) . . ?
C5D C2D C3D 110.4(12) . . ?
C4D C2D C3D 110.0(12) . . ?
C3D' C2D C3D 133(2) . . ?
C4D' C2D C1D 108.9(17) . . ?
C5D' C2D C1D 105.1(16) . . ?
C5D C2D C1D 112(2) . . ?
C4D C2D C1D 105.5(16) . . ?
C3D' C2D C1D 108.4(17) . . ?
C3D C2D C1D 107(2) . . ?
C1A O2A Co7 132.0(10) . . ?
C1A O1A Co3 134.2(10) . . ?
O2A C1A O1A 125.9(15) . . ?
O2A C1A C2A 118.4(15) . . ?
O1A C1A C2A 115.7(14) . . ?
C5A C2A C1A 110.2(13) . . ?
C5A C2A C3A 110.5(14) . . ?
C1A C2A C3A 112.8(13) . . ?
C5A C2A C4A 108.0(13) . . ?
C1A C2A C4A 105.3(13) . . ?
C3A C2A C4A 109.8(12) . . ?
C67 N17 C27 115.0(14) . . ?
C67 N17 Co7 145.5(13) . . ?
C27 N17 Co7 97.8(9) . . ?
C27 O27 Co6 135.7(10) . . ?
C27 O27 Co7 89.4(9) . . ?
Co6 O27 Co7 132.2(4) . . ?
O27 C27 N17 110.8(14) . . ?
O27 C27 C37 125.5(17) . . ?
N17 C27 C37 123.7(15) . . ?
C47 C37 C27 117.9(19) . . ?
C37 C47 C57 120(2) . . ?
C67 C57 C47 118.9(19) . . ?
C57 C67 N17 124.5(18) . . ?
C57 C67 Cl7 123.0(17) . . ?
N17 C67 Cl7 112.4(15) . . ?
C62 N12 C22 117.2(14) . . ?
C62 N12 Co3 144.7(13) . . ?
C22 N12 Co3 98.0(9) . . ?
C22 O22 Co4 137.3(10) . . ?
C22 O22 Co3 89.9(9) . . ?
Co4 O22 Co3 129.7(4) . . ?
O22 C22 N12 112.0(14) . . ?
O22 C22 C32 126.8(16) . . ?
N12 C22 C32 121.1(14) . . ?
C22 C32 C42 118.5(19) . . ?
C52 C42 C32 122(2) . . ?
C62 C52 C42 116.2(17) . . ?
N12 C62 C52 125.3(17) . . ?
N12 C62 Cl2 113.6(15) . . ?
C52 C62 Cl2 120.9(15) . . ?
C68 N18 C28 118.3(13) . . ?
C68 N18 Co7 143.3(11) . . ?
C28 N18 Co7 98.3(9) . . ?
C28 O28 Co1 134.8(9) . . ?
O28 C28 N18 116.4(14) . . ?
O28 C28 C38 123.6(15) . . ?
N18 C28 C38 119.9(15) . . ?
C48 C38 C28 119.8(16) . . ?
C38 C48 C58 119.8(16) . . ?
C68 C58 C48 117.3(16) . . ?
N18 C68 C58 124.5(15) . . ?
N18 C68 Cl8 117.0(13) . . ?
C58 C68 Cl8 118.5(14) . . ?
C24 N14 C64 116.1(13) . . ?
C24 N14 Co2 114.3(9) . . ?
C64 N14 Co2 129.5(11) . . ?
C24 O24 Co5 127.2(8) . . ?
C24 O24 Co4 137.9(9) . . ?
Co5 O24 Co4 94.9(4) . . ?
O24 C24 N14 116.2(14) . . ?
O24 C24 C34 120.9(15) . . ?
N14 C24 C34 122.9(15) . . ?
C44 C34 C24 118.3(16) . . ?
C34 C44 C54 120.4(16) . . ?
C64 C54 C44 117.1(16) . . ?
N14 C64 C54 125.2(16) . . ?
N14 C64 Cl4 116.7(13) . . ?
C54 C64 Cl4 118.0(14) . . ?
C65 N15 C25 116.0(13) . . ?
C65 N15 Co2 146.6(11) . . ?
C25 N15 Co2 97.3(9) . . ?
C25 O25 Co5 130.5(9) . . ?
C25 O25 Co6 118.6(8) . . ?
Co5 O25 Co6 92.0(3) . . ?
C25 O25 Co2 94.3(9) . . ?
Co5 O25 Co2 117.7(4) . . ?
Co6 O25 Co2 101.9(3) . . ?
N15 C25 O25 109.0(14) . . ?
N15 C25 C35 124.8(15) . . ?
O25 C25 C35 126.2(16) . . ?
C25 C35 C45 117.4(16) . . ?
C35 C45 C55 120.7(16) . . ?
C65 C55 C45 117.7(14) . . ?
N15 C65 C55 123.4(14) . . ?
N15 C65 Cl5 117.8(12) . . ?
C55 C65 Cl5 118.8(13) . . ?
C21 N11 C61 119.9(13) . . ?
C21 N11 Co3 97.6(9) . . ?
C61 N11 Co3 142.1(11) . . ?
C21 O21 Co1 145.1(9) . . ?
C21 O21 Co3 87.9(9) . . ?
Co1 O21 Co3 92.1(4) . . ?
O21 C21 N11 114.8(13) . . ?
O21 C21 C31 124.5(16) . . ?
N11 C21 C31 120.7(14) . . ?
C41 C31 C21 115.9(16) . . ?
C51 C41 C31 124.2(17) . . ?
C41 C51 C61 119.1(17) . . ?
N11 C61 C51 120.1(15) . . ?
N11 C61 Cl1 115.2(13) . . ?
C51 C61 Cl1 124.7(15) . . ?
C63 N13 C23 117.5(13) . . ?
C63 N13 Co4 138.3(11) . . ?
C23 N13 Co4 104.0(9) . . ?
C23 O23 Co2 120.7(7) . . ?
C23 O23 Co1 126.1(8) . . ?
Co2 O23 Co1 96.5(3) . . ?
O23 C23 N13 112.8(12) . . ?
O23 C23 C33 125.6(14) . . ?
N13 C23 C33 121.6(13) . . ?
C43 C33 C23 118.2(15) . . ?
C53 C43 C33 121.0(16) . . ?
C43 C53 C63 116.8(15) . . ?
N13 C63 C53 124.8(15) . . ?
N13 C63 Cl3 115.4(12) . . ?
C53 C63 Cl3 119.8(13) . . ?
C26 N16 C66 119.4(12) . . ?
C26 N16 Co6 96.2(8) . . ?
C66 N16 Co6 144.1(10) . . ?
C26 O26 Co1 133.1(8) . . ?
C26 O26 Co2 115.6(7) . . ?
Co1 O26 Co2 95.0(3) . . ?
C26 O26 Co6 87.5(8) . . ?
Co1 O26 Co6 124.1(4) . . ?
Co2 O26 Co6 98.1(3) . . ?
O26 C26 N16 116.3(12) . . ?
O26 C26 C36 122.8(13) . . ?
N16 C26 C36 120.9(12) . . ?
C46 C36 C26 119.3(13) . . ?
C36 C46 C56 118.2(14) . . ?
C66 C56 C46 119.5(14) . . ?
C56 C66 N16 122.7(13) . . ?
C56 C66 Cl6 122.1(11) . . ?
N16 C66 Cl6 115.2(11) . . ?
C29 N19 C69 115.1(15) . . ?
C29 O29 Co5 131.7(14) . . ?
O29 C29 N19 115.5(17) . . ?
O29 C29 C39 119.5(18) . . ?
N19 C29 C39 124.6(16) . . ?
C49 C39 C29 117.2(17) . . ?
C39 C49 C59 117.1(18) . . ?
C69 C59 C49 120.2(19) . . ?
C59 C69 N19 122.3(18) . . ?
C59 C69 Cl69 122.6(16) . . ?
N19 C69 Cl69 114.6(15) . . ?
N1X C2X C3X 163(4) . . ?
N1X' C2X' C3X' 162(4) . . ?
N1Y C2Y C3Y 178(2) . . ?
N1Z C2Z C3Z 178(2) . . ?
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
Co4 O1C 2.015(11) . ?
Co4 O22 2.027(9) . ?
Co4 O2 2.047(8) . ?
Co4 N13 2.060(11) . ?
Co4 O24 2.089(9) . ?
Co5 O1D 2.008(11) . ?
Co5 O24 2.028(9) . ?
Co5 O2C 2.043(11) . ?
Co5 O29 2.107(13) . ?
Co5 O25 2.103(9) . ?
Co5 O2 2.188(9) . ?
Co6 O2D 2.022(10) . ?
Co6 O27 2.038(9) . ?
Co6 O2 2.061(9) . ?
Co6 N16 2.117(10) . ?
Co6 O25 2.158(8) . ?
Co6 O26 2.339(8) . ?
Co7 O2A 1.992(10) . ?
Co7 O1 2.000(8) . ?
Co7 N17 2.061(12) . ?
Co7 N18 2.081(11) . ?
Co7 O27 2.299(10) . ?
Co3 O1A 1.998(10) . ?
Co3 O1 1.992(8) . ?
Co3 N12 2.091(11) . ?
Co3 N11 2.101(12) . ?
Co3 O22 2.310(10) . ?
Co3 O21 2.362(9) . ?
Co2 O2B 2.002(9) . ?
Co2 O23 2.153(8) . ?
Co2 N14 2.156(11) . ?
Co2 N15 2.196(11) . ?
Co2 O26 2.205(8) . ?
Co2 O25 2.262(9) . ?
Co1 O1B 2.018(9) . ?
Co1 O21 2.078(9) . ?
Co1 O1 2.096(8) . ?
Co1 O28 2.112(9) . ?
Co1 O23 2.157(8) . ?
Co1 O26 2.156(8) . ?
O1B C1B 1.240(15) . ?
O2B C1B 1.284(16) . ?
C1B C2B 1.517(19) . ?
C2B C5B' 1.503(14) . ?
C2B C3B' 1.503(14) . ?
C2B C3B 1.506(14) . ?
C2B C5B 1.508(14) . ?
C2B C4B' 1.513(14) . ?
C2B C4B 1.518(14) . ?
O2C C1C 1.26(2) . ?
O1C C1C 1.285(19) . ?
C1C C2C 1.51(2) . ?
C2C C3C 1.47(2) . ?
C2C C4C 1.48(2) . ?
C2C C5C 1.53(2) . ?
O1D C1D 1.26(2) . ?
O2D C1D 1.26(2) . ?
C1D C2D 1.55(2) . ?
C2D C4D' 1.509(13) . ?
C2D C5D' 1.514(13) . ?
C2D C5D 1.515(13) . ?
C2D C4D 1.516(13) . ?
C2D C3D' 1.519(13) . ?
C2D C3D 1.523(13) . ?
O2A C1A 1.237(16) . ?
O1A C1A 1.275(16) . ?
C1A C2A 1.54(2) . ?
C2A C5A 1.53(2) . ?
C2A C3A 1.537(19) . ?
C2A C4A 1.562(19) . ?
N17 C67 1.349(18) . ?
N17 C27 1.388(18) . ?
O27 C27 1.313(16) . ?
C27 C37 1.39(2) . ?
C37 C47 1.35(2) . ?
C47 C57 1.40(3) . ?
C57 C67 1.35(3) . ?
C67 Cl7 1.745(18) . ?
N12 C62 1.346(18) . ?
N12 C22 1.367(17) . ?
O22 C22 1.303(15) . ?
C22 C32 1.38(2) . ?
C32 C42 1.39(2) . ?
C42 C52 1.37(2) . ?
C52 C62 1.36(2) . ?
C62 Cl2 1.764(17) . ?
N18 C68 1.328(17) . ?
N18 C28 1.373(17) . ?
O28 C28 1.257(16) . ?
C28 C38 1.397(19) . ?
C38 C48 1.356(19) . ?
C48 C58 1.41(2) . ?
C58 C68 1.35(2) . ?
C68 Cl8 1.719(16) . ?
N14 C24 1.329(17) . ?
N14 C64 1.358(18) . ?
O24 C24 1.299(16) . ?
C24 C34 1.412(19) . ?
C34 C44 1.35(2) . ?
C44 C54 1.39(2) . ?
C54 C64 1.36(2) . ?
C64 Cl4 1.740(17) . ?
N15 C65 1.339(16) . ?
N15 C25 1.350(17) . ?
O25 C25 1.354(16) . ?
C25 C35 1.357(19) . ?
C35 C45 1.360(19) . ?
C45 C55 1.38(2) . ?
C55 C65 1.375(19) . ?
C65 Cl5 1.719(14) . ?
N11 C21 1.350(17) . ?
N11 C61 1.358(18) . ?
O21 C21 1.276(15) . ?
C21 C31 1.43(2) . ?
C31 C41 1.36(2) . ?
C41 C51 1.31(2) . ?
C51 C61 1.39(2) . ?
C61 Cl1 1.697(15) . ?
N13 C63 1.329(16) . ?
N13 C23 1.345(16) . ?
O23 C23 1.336(14) . ?
C23 C33 1.383(18) . ?
C33 C43 1.387(19) . ?
C43 C53 1.35(2) . ?
C53 C63 1.375(19) . ?
C63 Cl3 1.733(16) . ?
N16 C26 1.336(15) . ?
N16 C66 1.338(14) . ?
O26 C26 1.289(13) . ?
C26 C36 1.404(17) . ?
C36 C46 1.368(16) . ?
C46 C56 1.407(18) . ?
C56 C66 1.340(17) . ?
C66 Cl6 1.710(14) . ?
N19 C29 1.333(16) . ?
N19 C69 1.348(16) . ?
O29 C29 1.269(15) . ?
C29 C39 1.407(18) . ?
C39 C49 1.363(19) . ?
C49 C59 1.40(2) . ?
C59 C69 1.332(19) . ?
C69 Cl69 1.690(16) . ?
C2S C3S 1.481(10) . ?
N1X C2X 1.200(10) . ?
C2X C3X 1.489(10) . ?
N1X' C2X' 1.212(10) . ?
C2X' C3X' 1.489(10) . ?
N1Y C2Y 1.188(9) . ?
C2Y C3Y 1.472(9) . ?
N1Z C2Z 1.184(9) . ?
C2Z C3Z 1.472(9) . ?
