# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_c_120k
_database_code_depnum_ccdc_archive 'CCDC 2104264'
loop_
_audit_author_name
_audit_author_address
'Masanori Wakizaka'
;Tohoku University
Japan
;
_audit_update_record             
;
2021-12-25 deposited with the CCDC.	2023-01-18 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_c_120k              
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O13 Check
RESPONSE: It is a water molecule.
;
_vrf_PLAT430_c_120k              
;
PROBLEM: Short Inter D...A Contact  O1       ..O7       .       2.68 Ang.
RESPONSE: It is hydrogen bonding.
;
_vrf_PLAT910_c_120k              
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         17 Note
RESPONSE: Disordered water molecules were placed without SQUEEZE.
;
_vrf_PLAT975_c_120k              
;
PROBLEM: Check Calcd Resid. Dens.  1.07Ang From O13     .       1.90 eA-3
RESPONSE: Because of disordering.
;
# Added during the CSD deposition process: Saturday 25 December 2021 02:04 PM
# end Validation Reply Form

_audit_creation_date             2021-12-25
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C18 H12 Co0.5 Cr O3 S3, C18 H12 Co1.9 Cr K0.2 O12.5 S3, 10(O)'
_chemical_formula_sum            'C36 H24 Co2.40 Cr2 K0.20 O25.50 S6'
_chemical_formula_weight         1310.16
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Cr Co K C8 H8 O8 S8'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6211(2)
_cell_length_b                   14.7753(3)
_cell_length_c                   16.6912(3)
_cell_angle_alpha                70.242(2)
_cell_angle_beta                 73.531(2)
_cell_angle_gamma                88.9980(10)
_cell_volume                     2798.56(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    41813
_cell_measurement_temperature    120
_cell_measurement_theta_max      31.9180
_cell_measurement_theta_min      3.1640
_shelx_estimated_absorpt_T_max   0.874
_shelx_estimated_absorpt_T_min   0.769
_exptl_absorpt_coefficient_mu    1.390
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull dark violet'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1313
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            89620
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.909
_diffrn_reflns_theta_min         2.941
_diffrn_ambient_temperature      120
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     38.00  64.00   0.50    6.00    --   -0.30  45.00  30.00   52
  2  ω    -88.00  49.00   0.50    6.00    --   -0.30  45.00 120.00  274
  3  ω    -89.00  72.00   0.50    6.00    --   -0.30  45.00 -19.77  322
  4  ω    -88.00  80.00   0.50    6.00    --   -0.30  45.00 150.00  336
  5  ω    -84.00 -59.00   0.50    6.00    --   -0.30  45.00  60.00   50
  6  ω    -51.00  23.00   0.50    6.00    --   -0.30  45.00  60.00  148
  7  ω     35.00  60.00   0.50    6.00    --   -0.30  45.00   0.00   50
  8  ω    -28.00  -3.00   0.50    6.00    --   -0.30  45.00  90.00   50
  9  ω    -80.00 -55.00   0.50    6.00    --   -0.30  45.00  30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0201188000
_diffrn_orient_matrix_UB_12      0.0149040000
_diffrn_orient_matrix_UB_13      -0.0471172000
_diffrn_orient_matrix_UB_21      -0.0346202000
_diffrn_orient_matrix_UB_22      -0.0377495000
_diffrn_orient_matrix_UB_23      0.0007269000
_diffrn_orient_matrix_UB_31      -0.0430950000
_diffrn_orient_matrix_UB_32      0.0312169000
_diffrn_orient_matrix_UB_33      -0.0035517000
_diffrn_oxdiff_digest_frames     
;
013da251702c711e91df7dbd863b74866e00026f47c
;
_diffrn_oxdiff_digest_hkl        
;
01d36a2f4f9f8f14e514321cd9360c53764e5b
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15104
_reflns_number_total             17209
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.235
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         17209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0620
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0948P)²+9.4223P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1753
_refine_ls_wR_factor_ref         0.1817
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: Co3(0.95) Co5(0.2) Co4(0.2) O19(0.8) O26(0.8) O25(0.8) O18(0.8)
 O15(0.8) O22(0.5) O27(0.8) Co6(0.05) K1(0.2) O14(0.2)
3.a Aromatic/amide H refined with riding coordinates:
 C30(H30), C15(H15), C21(H21), C23(H23), C18(H18), C12(H12), C24(H24),
 C22(H22), C35(H35), C36(H36), C33(H33), C16(H16), C29(H29), C17(H17), C9(H9),
 C6(H6), C10(H10), C5(H5), C11(H11), C27(H27), C28(H28), C34(H34), C3(H3),
 C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.000000 1.000000 0.000000 0.01539(11) Uani 1 2 d S T P . .
Co2 Co 0.500000 0.500000 1.000000 0.01407(11) Uani 1 2 d S T P . .
Cr1 Cr 0.90360(4) 0.89459(3) 0.18603(3) 0.01414(10) Uani 1 1 d . . . . .
Cr2 Cr 0.59706(4) 0.53222(3) 0.81338(3) 0.01492(10) Uani 1 1 d . . . . .
Co3 Co 0.76260(4) 0.71989(4) 0.50058(3) 0.02319(11) Uani 0.95 1 d . . . . .
S6 S 0.43887(6) 0.43364(5) 0.91223(5) 0.01695(13) Uani 1 1 d . . . . .
S2 S 0.82186(6) 0.93027(5) 0.07051(5) 0.01826(14) Uani 1 1 d . . . . .
S4 S 0.67833(6) 0.47865(5) 0.92948(5) 0.01671(13) Uani 1 1 d . . . . .
S5 S 0.51884(6) 0.64337(5) 0.88227(5) 0.01722(13) Uani 1 1 d . . . . .
S1 S 0.98172(6) 1.05545(5) 0.11668(5) 0.01869(14) Uani 1 1 d . . . . .
S3 S 1.06051(6) 0.86427(5) 0.08745(5) 0.01825(14) Uani 1 1 d . . . . .
O5 O 0.51831(19) 0.59381(19) 0.72471(15) 0.0230(4) Uani 1 1 d . . . . .
O4 O 0.73732(18) 0.61201(17) 0.74293(14) 0.0199(4) Uani 1 1 d . . . . .
O6 O 0.64327(18) 0.42185(17) 0.77437(16) 0.0221(4) Uani 1 1 d . . . . .
O3 O 0.85415(18) 0.75668(16) 0.22584(14) 0.0187(4) Uani 1 1 d . . . . .
O1 O 0.98418(18) 0.88477(17) 0.27415(15) 0.0215(4) Uani 1 1 d . . . . .
O2 O 0.76443(18) 0.92579(17) 0.25663(15) 0.0208(4) Uani 1 1 d . . . . .
Co5 Co 0.6394(2) 0.4343(2) 0.59636(17) 0.0226(5) Uani 0.2 1 d . . . . .
O8 O 0.7074(2) 0.7712(2) 0.61070(18) 0.0317(5) Uani 1 1 d . . . . .
O24 O 1.1279(2) 0.5754(2) 0.23611(18) 0.0313(5) Uani 1 1 d . . . . .
O11 O 0.8212(2) 0.6614(2) 0.39703(17) 0.0322(6) Uani 1 1 d . . . . .
O12 O 0.6126(2) 0.6294(2) 0.55298(18) 0.0332(6) Uani 1 1 d . . . . .
O7 O 0.9045(2) 0.8129(2) 0.45199(17) 0.0319(6) Uani 1 1 d . . . . .
O10 O 0.8377(2) 0.6144(2) 0.57799(17) 0.0329(6) Uani 1 1 d . . . . .
Co4 Co 0.56135(18) 0.47120(16) 0.55863(13) 0.0197(4) Uani 0.2 1 d . . . . .
O28 O 0.3751(2) 0.2518(2) 0.7565(2) 0.0392(7) Uani 1 1 d . . . . .
O9 O 0.6823(3) 0.8224(2) 0.42593(19) 0.0393(7) Uani 1 1 d . . . . .
O16 O 0.4329(3) 0.4449(2) 0.6841(2) 0.0363(6) Uani 1 1 d . . . . .
O23 O 1.0504(3) 0.6923(2) 0.3293(2) 0.0377(6) Uani 1 1 d . . . . .
O17 O 1.1803(3) 0.9291(3) 0.6837(2) 0.0463(8) Uani 1 1 d . . . . .
C13 C 1.0024(3) 0.7502(2) 0.1012(2) 0.0195(5) Uani 1 1 d . . . . .
C7 C 0.7251(2) 1.0004(2) 0.1176(2) 0.0194(5) Uani 1 1 d . . . . .
C26 C 0.4261(3) 0.6351(2) 0.7552(2) 0.0219(6) Uani 1 1 d . . . . .
C14 C 0.9058(3) 0.7082(2) 0.1722(2) 0.0198(5) Uani 1 1 d . . . . .
C32 C 0.5904(3) 0.3347(2) 0.8286(2) 0.0228(6) Uani 1 1 d . . . . .
C31 C 0.4936(2) 0.3271(2) 0.8994(2) 0.0194(5) Uani 1 1 d . . . . .
C1 C 1.0919(2) 1.0286(2) 0.1652(2) 0.0193(5) Uani 1 1 d . . . . .
C8 C 0.7021(2) 0.9825(2) 0.2092(2) 0.0203(5) Uani 1 1 d . . . . .
C25 C 0.4091(2) 0.6577(2) 0.8330(2) 0.0193(5) Uani 1 1 d . . . . .
C19 C 0.7721(2) 0.5836(2) 0.8831(2) 0.0177(5) Uani 1 1 d . . . . .
C30 C 0.3111(3) 0.6961(2) 0.8663(2) 0.0225(6) Uani 1 1 d . . . . .
H30 H 0.300148 0.711291 0.918812 0.027 Uiso 1 1 calc R . . . .
C15 C 0.8661(3) 0.6141(2) 0.1872(2) 0.0253(6) Uani 1 1 d . . . . .
H15 H 0.799433 0.585518 0.233176 0.030 Uiso 1 1 calc R . . . .
C20 C 0.7947(2) 0.6356(2) 0.7914(2) 0.0187(5) Uani 1 1 d . . . . .
C2 C 1.0768(2) 0.9457(2) 0.2420(2) 0.0211(6) Uani 1 1 d . . . . .
O20 O 1.0776(3) 0.7569(3) 0.5269(3) 0.0556(9) Uani 1 1 d . . . . .
C21 C 0.8779(3) 0.7117(2) 0.7507(2) 0.0242(6) Uani 1 1 d . . . . .
H21 H 0.895519 0.746001 0.688478 0.029 Uiso 1 1 calc R . . . .
C23 C 0.9109(3) 0.6876(3) 0.8913(2) 0.0262(6) Uani 1 1 d . . . . .
H23 H 0.949778 0.706079 0.925161 0.031 Uiso 1 1 calc R . . . .
C18 C 1.0592(3) 0.6972(3) 0.0496(2) 0.0254(6) Uani 1 1 d . . . . .
H18 H 1.124823 0.725697 0.002375 0.031 Uiso 1 1 calc R . . . .
C12 C 0.6638(3) 1.0638(2) 0.0692(2) 0.0239(6) Uani 1 1 d . . . . .
H12 H 0.680376 1.076857 0.006958 0.029 Uiso 1 1 calc R . . . .
C24 C 0.8303(2) 0.6105(2) 0.9324(2) 0.0206(5) Uani 1 1 d . . . . .
H24 H 0.814563 0.575757 0.994427 0.025 Uiso 1 1 calc R . . . .
C22 C 0.9348(3) 0.7376(3) 0.8007(3) 0.0273(7) Uani 1 1 d . . . . .
H22 H 0.990619 0.789983 0.772512 0.033 Uiso 1 1 calc R . . . .
C35 C 0.4720(4) 0.1547(3) 0.9334(3) 0.0338(8) Uani 1 1 d . . . . .
H35 H 0.431408 0.093767 0.967869 0.041 Uiso 1 1 calc R . . . .
C36 C 0.4347(3) 0.2375(2) 0.9505(2) 0.0256(6) Uani 1 1 d . . . . .
H36 H 0.368676 0.232913 0.997085 0.031 Uiso 1 1 calc R . . . .
C33 C 0.6279(3) 0.2500(3) 0.8138(3) 0.0321(8) Uani 1 1 d . . . . .
H33 H 0.694176 0.253348 0.767890 0.038 Uiso 1 1 calc R . . . .
C16 C 0.9238(4) 0.5622(3) 0.1352(3) 0.0314(7) Uani 1 1 d . . . . .
H16 H 0.896596 0.498079 0.146694 0.038 Uiso 1 1 calc R . . . .
C29 C 0.2297(3) 0.7120(3) 0.8231(2) 0.0278(7) Uani 1 1 d . . . . .
H29 H 0.162386 0.736380 0.846722 0.033 Uiso 1 1 calc R . . . .
C17 C 1.0204(3) 0.6032(3) 0.0669(3) 0.0304(7) Uani 1 1 d . . . . .
H17 H 1.059730 0.567110 0.032207 0.037 Uiso 1 1 calc R . . . .
O19 O 0.8396(4) 0.9340(3) 0.5874(3) 0.0469(10) Uani 0.8 1 d . . . . .
C9 C 0.6133(3) 1.0249(3) 0.2515(2) 0.0259(6) Uani 1 1 d . . . . .
H9 H 0.594359 1.010446 0.314101 0.031 Uiso 1 1 calc R . . . .
C6 C 1.1888(3) 1.0904(3) 0.1325(2) 0.0250(6) Uani 1 1 d . . . . .
H6 H 1.198329 1.146359 0.080911 0.030 Uiso 1 1 calc R . . . .
C10 C 0.5534(3) 1.0875(3) 0.2026(3) 0.0295(7) Uani 1 1 d . . . . .
H10 H 0.494362 1.116910 0.231482 0.035 Uiso 1 1 calc R . . . .
C5 C 1.2711(3) 1.0709(3) 0.1745(3) 0.0316(7) Uani 1 1 d . . . . .
H5 H 1.336653 1.113314 0.151966 0.038 Uiso 1 1 calc R . . . .
C11 C 0.5789(3) 1.1078(3) 0.1110(3) 0.0292(7) Uani 1 1 d . . . . .
H11 H 0.538305 1.151659 0.077473 0.035 Uiso 1 1 calc R . . . .
O21 O 1.0583(4) 0.5624(4) 0.6366(4) 0.0747(13) Uani 1 1 d . . . . .
C27 C 0.3450(3) 0.6548(3) 0.7104(2) 0.0300(7) Uani 1 1 d . . . . .
H27 H 0.356633 0.642676 0.656258 0.036 Uiso 1 1 calc R . . . .
C28 C 0.2477(3) 0.6921(3) 0.7449(3) 0.0315(7) Uani 1 1 d . . . . .
H28 H 0.192715 0.704029 0.714598 0.038 Uiso 1 1 calc R . . . .
C34 C 0.5686(4) 0.1618(3) 0.8660(3) 0.0368(8) Uani 1 1 d . . . . .
H34 H 0.594794 0.105009 0.855347 0.044 Uiso 1 1 calc R . . . .
C3 C 1.1609(3) 0.9264(3) 0.2838(2) 0.0280(7) Uani 1 1 d . . . . .
H3 H 1.152058 0.870680 0.335379 0.034 Uiso 1 1 calc R . . . .
C4 C 1.2570(3) 0.9885(3) 0.2501(3) 0.0326(8) Uani 1 1 d . . . . .
H4 H 1.313614 0.974703 0.278716 0.039 Uiso 1 1 calc R . . . .
O26 O 0.3498(4) 0.9257(4) 0.5352(4) 0.0603(13) Uani 0.8 1 d . . . . .
O25 O 0.5518(4) 0.8894(4) 0.5533(3) 0.0566(12) Uani 0.8 1 d . . . . .
O18 O 1.0624(4) 0.9169(3) 0.5744(3) 0.0507(11) Uani 0.8 1 d . . . . .
O13 O 0.7090(5) 0.4909(3) 0.4189(3) 0.0823(17) Uani 1 1 d . . . . .
O15 O 0.5128(4) 0.3168(6) 0.5676(4) 0.086(2) Uani 0.8 1 d . . . . .
O22 O 1.1218(6) 0.5567(4) 0.4580(4) 0.0421(15) Uani 0.5 1 d . . . . .
O27 O 0.3141(5) 0.8046(7) 0.4511(5) 0.100(3) Uani 0.8 1 d . . . . .
Co6 Co 0.7533(8) 0.5759(8) 0.5027(6) 0.029(2) Uani 0.05 1 d . . . . .
K1 K 0.6956(18) 0.4243(10) 0.6129(7) 0.137(6) Uani 0.2 1 d . . . . .
O14 O 0.5474(14) 0.4569(14) 0.5044(9) 0.043(4) Uani 0.2 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cr1 2.8639(4) . ?
Co1 Cr1 2.8639(4) 2_775 ?
Co1 S2 2.2940(7) 2_775 ?
Co1 S2 2.2940(7) . ?
Co1 S1 2.3096(7) . ?
Co1 S1 2.3097(7) 2_775 ?
Co1 S3 2.3098(8) . ?
Co1 S3 2.3098(7) 2_775 ?
Co2 Cr2 2.8783(4) 2_667 ?
Co2 Cr2 2.8783(5) . ?
Co2 S6 2.3111(7) . ?
Co2 S6 2.3111(7) 2_667 ?
Co2 S4 2.2968(7) . ?
Co2 S4 2.2967(7) 2_667 ?
Co2 S5 2.3116(7) . ?
Co2 S5 2.3116(7) 2_667 ?
Cr1 S2 2.3413(9) . ?
Cr1 S1 2.3528(9) . ?
Cr1 S3 2.3345(8) . ?
Cr1 O3 1.969(2) . ?
Cr1 O1 1.979(2) . ?
Cr1 O2 1.963(2) . ?
Cr2 S6 2.3323(8) . ?
Cr2 S4 2.3443(9) . ?
Cr2 S5 2.3601(9) . ?
Cr2 O5 1.974(2) . ?
Cr2 O4 1.965(2) . ?
Cr2 O6 1.973(2) . ?
Co3 O8 2.153(3) . ?
Co3 O11 2.132(3) . ?
Co3 O12 2.121(3) . ?
Co3 O7 2.065(3) . ?
Co3 O10 2.068(3) . ?
Co3 O9 2.064(3) . ?
Co3 Co6 2.121(11) . ?
S6 C31 1.762(3) . ?
S2 C7 1.773(3) . ?
S4 C19 1.772(3) . ?
S5 C25 1.777(3) . ?
S1 C1 1.775(3) . ?
S3 C13 1.766(3) . ?
O5 C26 1.354(4) . ?
O4 C20 1.353(4) . ?
O6 C32 1.350(4) . ?
O6 K1 2.574(10) . ?
O3 C14 1.351(4) . ?
O1 C2 1.349(3) . ?
O2 C8 1.352(4) . ?
Co5 Co4 1.329(3) . ?
Co5 Co6 2.347(10) . ?
Co5 K1 0.83(2) . ?
Co5 O14 2.114(14) . ?
O11 Co6 1.765(9) . ?
O12 Co4 2.400(4) . ?
O12 Co6 2.009(11) . ?
O12 K1 3.117(16) . ?
O10 Co6 2.074(10) . ?
O10 K1 3.151(17) . ?
Co4 Co4 2.739(4) 2_666 ?
Co4 O16 2.171(4) . ?
Co4 O15 2.316(8) . ?
Co4 Co6 2.647(10) . ?
Co4 K1 2.14(2) . ?
Co4 O14 2.032(15) 2_666 ?
Co4 O14 1.057(14) . ?
O16 K1 3.24(2) . ?
C13 C14 1.410(4) . ?
C13 C18 1.398(4) . ?
C7 C8 1.404(4) . ?
C7 C12 1.396(4) . ?
C26 C25 1.406(4) . ?
C26 C27 1.403(5) . ?
C14 C15 1.401(4) . ?
C32 C31 1.414(4) . ?
C32 C33 1.404(5) . ?
C32 K1 3.257(12) . ?
C31 C36 1.395(4) . ?
C1 C2 1.411(4) . ?
C1 C6 1.396(4) . ?
C8 C9 1.405(4) . ?
C25 C30 1.399(4) . ?
C19 C20 1.407(4) . ?
C19 C24 1.395(4) . ?
C30 C29 1.388(5) . ?
C15 C16 1.394(5) . ?
C20 C21 1.396(4) . ?
C2 C3 1.402(5) . ?
C21 C22 1.386(5) . ?
C23 C24 1.386(4) . ?
C23 C22 1.385(5) . ?
C18 C17 1.387(5) . ?
C12 C11 1.384(5) . ?
C35 C36 1.393(5) . ?
C35 C34 1.382(6) . ?
C33 C34 1.384(6) . ?
C33 K1 3.350(13) . ?
C16 C17 1.387(6) . ?
C29 C28 1.390(5) . ?
C9 C10 1.383(5) . ?
C6 C5 1.385(5) . ?
C10 C11 1.394(6) . ?
C5 C4 1.395(6) . ?
C27 C28 1.390(5) . ?
C3 C4 1.390(5) . ?
O13 Co6 2.345(11) . ?
O13 K1 3.004(11) . ?
O15 K1 3.216(19) . ?
O22 K1 2.24(2) 2_766 ?
Co6 K1 2.333(17) . ?
K1 O14 2.88(2) . ?
O14 O14 1.73(3) 2_666 ?

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
Cr1 Co1 Cr1 180.000(18) 2_775 . ?
S2 Co1 Cr1 127.41(2) 2_775 . ?
S2 Co1 Cr1 127.41(2) . 2_775 ?
S2 Co1 Cr1 52.59(2) 2_775 2_775 ?
S2 Co1 Cr1 52.59(2) . . ?
S2 Co1 S2 180.00(4) 2_775 . ?
S2 Co1 S1 87.10(3) . . ?
S2 Co1 S1 92.90(3) . 2_775 ?
S2 Co1 S1 92.90(3) 2_775 . ?
S2 Co1 S1 87.10(3) 2_775 2_775 ?
S2 Co1 S3 91.63(3) 2_775 . ?
S2 Co1 S3 91.62(3) . 2_775 ?
S2 Co1 S3 88.38(3) . . ?
S2 Co1 S3 88.37(3) 2_775 2_775 ?
S1 Co1 Cr1 127.21(2) . 2_775 ?
S1 Co1 Cr1 127.21(2) 2_775 . ?
S1 Co1 Cr1 52.79(2) 2_775 2_775 ?
S1 Co1 Cr1 52.79(2) . . ?
S1 Co1 S1 180.0 . 2_775 ?
S1 Co1 S3 85.13(3) . . ?
S1 Co1 S3 94.87(3) . 2_775 ?
S3 Co1 Cr1 127.68(2) 2_775 . ?
S3 Co1 Cr1 52.32(2) . . ?
S3 Co1 Cr1 52.32(2) 2_775 2_775 ?
S3 Co1 Cr1 127.68(2) . 2_775 ?
S3 Co1 S1 94.87(3) . 2_775 ?
S3 Co1 S1 85.13(3) 2_775 2_775 ?
S3 Co1 S3 180.00(4) 2_775 . ?
Cr2 Co2 Cr2 180.0 . 2_667 ?
S6 Co2 Cr2 127.976(19) . 2_667 ?
S6 Co2 Cr2 52.024(19) 2_667 2_667 ?
S6 Co2 Cr2 52.025(19) . . ?
S6 Co2 Cr2 127.976(19) 2_667 . ?
S6 Co2 S6 180.00(3) 2_667 . ?
S6 Co2 S5 95.57(3) . 2_667 ?
S6 Co2 S5 84.43(3) . . ?
S6 Co2 S5 84.43(3) 2_667 2_667 ?
S6 Co2 S5 95.57(3) 2_667 . ?
S4 Co2 Cr2 127.58(2) 2_667 . ?
S4 Co2 Cr2 52.42(2) 2_667 2_667 ?
S4 Co2 Cr2 127.58(2) . 2_667 ?
S4 Co2 Cr2 52.42(2) . . ?
S4 Co2 S6 91.42(2) . 2_667 ?
S4 Co2 S6 88.58(2) 2_667 2_667 ?
S4 Co2 S6 91.42(2) 2_667 . ?
S4 Co2 S6 88.58(2) . . ?
S4 Co2 S4 180.0 2_667 . ?
S4 Co2 S5 93.19(3) 2_667 . ?
S4 Co2 S5 86.81(3) 2_667 2_667 ?
S4 Co2 S5 86.81(3) . . ?
S4 Co2 S5 93.19(3) . 2_667 ?
S5 Co2 Cr2 52.73(2) . . ?
S5 Co2 Cr2 127.27(2) 2_667 . ?
S5 Co2 Cr2 127.27(2) . 2_667 ?
S5 Co2 Cr2 52.73(2) 2_667 2_667 ?
S5 Co2 S5 180.0 . 2_667 ?
S2 Cr1 Co1 51.100(19) . . ?
S2 Cr1 S1 85.02(3) . . ?
S1 Cr1 Co1 51.42(2) . . ?
S3 Cr1 Co1 51.54(2) . . ?
S3 Cr1 S2 86.67(3) . . ?
S3 Cr1 S1 83.62(3) . . ?
O3 Cr1 Co1 119.65(7) . . ?
O3 Cr1 S2 91.08(7) . . ?
O3 Cr1 S1 170.32(7) . . ?
O3 Cr1 S3 87.32(7) . . ?
O3 Cr1 O1 97.53(10) . . ?
O1 Cr1 Co1 121.87(6) . . ?
O1 Cr1 S2 171.18(7) . . ?
O1 Cr1 S1 86.17(7) . . ?
O1 Cr1 S3 91.80(7) . . ?
O2 Cr1 Co1 122.58(7) . . ?
O2 Cr1 S2 86.46(7) . . ?
O2 Cr1 S1 94.88(7) . . ?
O2 Cr1 S3 173.08(7) . . ?
O2 Cr1 O3 93.71(9) . . ?
O2 Cr1 O1 94.85(10) . . ?
S6 Cr2 Co2 51.365(19) . . ?
S6 Cr2 S4 86.95(3) . . ?
S6 Cr2 S5 82.89(3) . . ?
S4 Cr2 Co2 50.933(19) . . ?
S4 Cr2 S5 84.62(3) . . ?
S5 Cr2 Co2 51.211(19) . . ?
O5 Cr2 Co2 121.92(7) . . ?
O5 Cr2 S6 92.24(7) . . ?
O5 Cr2 S4 170.28(8) . . ?
O5 Cr2 S5 85.67(7) . . ?
O4 Cr2 Co2 122.39(7) . . ?
O4 Cr2 S6 172.88(7) . . ?
O4 Cr2 S4 86.04(7) . . ?
O4 Cr2 S5 95.22(7) . . ?
O4 Cr2 O5 94.46(10) . . ?
O4 Cr2 O6 94.37(9) . . ?
O6 Cr2 Co2 119.62(7) . . ?
O6 Cr2 S6 87.12(7) . . ?
O6 Cr2 S4 92.14(8) . . ?
O6 Cr2 S5 169.64(7) . . ?
O6 Cr2 O5 97.49(10) . . ?
O11 Co3 O8 176.26(11) . . ?
O12 Co3 O8 88.27(11) . . ?
O12 Co3 O11 91.36(11) . . ?
O12 Co3 Co6 56.5(3) . . ?
O7 Co3 O8 89.37(11) . . ?
O7 Co3 O11 91.09(11) . . ?
O7 Co3 O12 177.21(12) . . ?
O7 Co3 O10 90.69(12) . . ?
O7 Co3 Co6 126.2(3) . . ?
O10 Co3 O8 87.85(11) . . ?
O10 Co3 O11 88.43(11) . . ?
O10 Co3 O12 90.71(12) . . ?
O10 Co3 Co6 59.3(3) . . ?
O9 Co3 O8 91.67(12) . . ?
O9 Co3 O11 92.04(12) . . ?
O9 Co3 O12 87.30(13) . . ?
O9 Co3 O7 91.28(13) . . ?
O9 Co3 O10 177.97(12) . . ?
O9 Co3 Co6 119.7(3) . . ?
Co6 Co3 O8 128.2(2) . . ?
Co6 Co3 O11 49.0(2) . . ?
Co2 S6 Cr2 76.61(2) . . ?
C31 S6 Co2 118.49(10) . . ?
C31 S6 Cr2 93.77(10) . . ?
Co1 S2 Cr1 76.31(2) . . ?
C7 S2 Co1 116.49(10) . . ?
C7 S2 Cr1 92.24(11) . . ?
Co2 S4 Cr2 76.65(2) . . ?
C19 S4 Co2 114.96(10) . . ?
C19 S4 Cr2 92.04(10) . . ?
Co2 S5 Cr2 76.06(3) . . ?
C25 S5 Co2 114.01(10) . . ?
C25 S5 Cr2 91.79(11) . . ?
Co1 S1 Cr1 75.79(3) . . ?
C1 S1 Co1 113.46(10) . . ?
C1 S1 Cr1 91.63(10) . . ?
Co1 S3 Cr1 76.14(3) . . ?
C13 S3 Co1 118.04(11) . . ?
C13 S3 Cr1 93.44(10) . . ?
C26 O5 Cr2 114.89(19) . . ?
C20 O4 Cr2 114.80(18) . . ?
Cr2 O6 K1 125.8(3) . . ?
C32 O6 Cr2 116.39(19) . . ?
C32 O6 K1 108.1(4) . . ?
C14 O3 Cr1 116.31(18) . . ?
C2 O1 Cr1 114.10(19) . . ?
C8 O2 Cr1 115.56(19) . . ?
Co4 Co5 Co6 87.5(3) . . ?
Co4 Co5 O14 24.4(4) . . ?
K1 Co5 Co4 166.3(11) . . ?
K1 Co5 Co6 78.9(11) . . ?
K1 Co5 O14 155.0(10) . . ?
O14 Co5 Co6 89.7(6) . . ?
Co6 O11 Co3 65.1(4) . . ?
Co3 O12 Co4 134.72(15) . . ?
Co3 O12 K1 102.2(4) . . ?
Co4 O12 K1 43.3(3) . . ?
Co6 O12 Co3 61.7(3) . . ?
Co6 O12 Co4 73.2(3) . . ?
Co6 O12 K1 48.4(4) . . ?
Co3 O10 Co6 61.6(3) . . ?
Co3 O10 K1 102.4(3) . . ?
Co6 O10 K1 47.8(4) . . ?
Co5 Co4 O12 91.06(17) . . ?
Co5 Co4 Co4 162.7(2) . 2_666 ?
Co5 Co4 O16 94.59(17) . . ?
Co5 Co4 O15 87.7(2) . . ?
Co5 Co4 Co6 62.4(3) . . ?
Co5 Co4 K1 5.2(5) . . ?
Co5 Co4 O14 173.2(6) . 2_666 ?
O12 Co4 Co4 96.75(13) . 2_666 ?
O12 Co4 Co6 46.6(3) . . ?
O16 Co4 O12 91.42(13) . . ?
O16 Co4 Co4 100.60(14) . 2_666 ?
O16 Co4 O15 87.79(17) . . ?
O16 Co4 Co6 127.0(2) . . ?
O15 Co4 O12 178.5(2) . . ?
O15 Co4 Co4 84.65(18) . 2_666 ?
O15 Co4 Co6 133.3(3) . . ?
Co6 Co4 Co4 113.1(2) . 2_666 ?
K1 Co4 O12 86.5(4) . . ?
K1 Co4 Co4 161.7(4) . 2_666 ?
K1 Co4 O16 97.3(4) . . ?
K1 Co4 O15 92.3(4) . . ?
K1 Co4 Co6 57.2(5) . . ?
O14 Co4 Co5 124.4(9) . . ?
O14 Co4 O12 123.6(11) . . ?
O14 Co4 O12 82.6(6) 2_666 . ?
O14 Co4 Co4 19.2(4) 2_666 2_666 ?
O14 Co4 Co4 39.2(8) . 2_666 ?
O14 Co4 O16 88.1(4) 2_666 . ?
O14 Co4 O16 122.8(10) . . ?
O14 Co4 O15 98.7(6) 2_666 . ?
O14 Co4 O15 57.9(11) . . ?
O14 Co4 Co6 108.9(10) . . ?
O14 Co4 Co6 111.1(6) 2_666 . ?
O14 Co4 K1 125.4(9) . . ?
O14 Co4 K1 168.0(7) 2_666 . ?
O14 Co4 O14 58.4(11) . 2_666 ?
Co4 O16 K1 41.0(2) . . ?
C14 C13 S3 119.0(2) . . ?
C18 C13 S3 120.2(2) . . ?
C18 C13 C14 120.3(3) . . ?
C8 C7 S2 117.6(2) . . ?
C12 C7 S2 122.2(3) . . ?
C12 C7 C8 119.7(3) . . ?
O5 C26 C25 120.7(3) . . ?
O5 C26 C27 120.6(3) . . ?
C27 C26 C25 118.7(3) . . ?
O3 C14 C13 120.8(3) . . ?
O3 C14 C15 120.8(3) . . ?
C15 C14 C13 118.5(3) . . ?
O6 C32 C31 120.6(3) . . ?
O6 C32 C33 120.7(3) . . ?
O6 C32 K1 48.7(3) . . ?
C31 C32 K1 143.5(4) . . ?
C33 C32 C31 118.6(3) . . ?
C33 C32 K1 81.4(3) . . ?
C32 C31 S6 118.9(2) . . ?
C36 C31 S6 120.5(2) . . ?
C36 C31 C32 120.0(3) . . ?
C2 C1 S1 118.3(2) . . ?
C6 C1 S1 121.6(3) . . ?
C6 C1 C2 120.0(3) . . ?
O2 C8 C7 120.9(3) . . ?
O2 C8 C9 120.0(3) . . ?
C7 C8 C9 119.1(3) . . ?
C26 C25 S5 117.9(2) . . ?
C30 C25 S5 121.8(2) . . ?
C30 C25 C26 120.2(3) . . ?
C20 C19 S4 117.6(2) . . ?
C24 C19 S4 122.3(2) . . ?
C24 C19 C20 119.9(3) . . ?
C29 C30 C25 120.5(3) . . ?
C16 C15 C14 120.5(3) . . ?
O4 C20 C19 120.7(3) . . ?
O4 C20 C21 120.3(3) . . ?
C21 C20 C19 119.0(3) . . ?
O1 C2 C1 120.8(3) . . ?
O1 C2 C3 120.4(3) . . ?
C3 C2 C1 118.8(3) . . ?
C22 C21 C20 120.4(3) . . ?
C22 C23 C24 119.9(3) . . ?
C17 C18 C13 120.5(3) . . ?
C11 C12 C7 120.6(3) . . ?
C23 C24 C19 120.3(3) . . ?
C23 C22 C21 120.5(3) . . ?
C34 C35 C36 119.5(3) . . ?
C35 C36 C31 120.4(3) . . ?
C32 C33 K1 74.1(3) . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 K1 145.3(4) . . ?
C17 C16 C15 120.6(3) . . ?
C30 C29 C28 119.4(3) . . ?
C18 C17 C16 119.6(3) . . ?
C10 C9 C8 120.3(3) . . ?
C5 C6 C1 120.6(3) . . ?
C9 C10 C11 120.4(3) . . ?
C6 C5 C4 119.6(3) . . ?
C12 C11 C10 119.8(3) . . ?
C28 C27 C26 120.2(3) . . ?
C29 C28 C27 120.9(3) . . ?
C35 C34 C33 121.2(4) . . ?
C4 C3 C2 120.4(3) . . ?
C3 C4 C5 120.5(3) . . ?
Co6 O13 K1 49.9(4) . . ?
Co4 O15 K1 41.7(3) . . ?
Co3 Co6 Co5 135.0(4) . . ?
Co3 Co6 Co4 121.8(5) . . ?
Co3 Co6 O13 138.8(5) . . ?
Co3 Co6 K1 135.5(5) . . ?
Co5 Co6 Co4 30.10(14) . . ?
O11 Co6 Co3 65.8(4) . . ?
O11 Co6 Co5 152.7(5) . . ?
O11 Co6 O12 107.3(6) . . ?
O11 Co6 O10 99.1(5) . . ?
O11 Co6 Co4 129.9(5) . . ?
O11 Co6 O13 83.6(4) . . ?
O11 Co6 K1 157.9(7) . . ?
O12 Co6 Co3 61.7(3) . . ?
O12 Co6 Co5 78.4(3) . . ?
O12 Co6 O10 93.8(4) . . ?
O12 Co6 Co4 60.2(3) . . ?
O12 Co6 O13 106.0(5) . . ?
O12 Co6 K1 91.5(6) . . ?
O10 Co6 Co3 59.1(3) . . ?
O10 Co6 Co5 107.2(4) . . ?
O10 Co6 Co4 128.3(4) . . ?
O10 Co6 O13 158.3(6) . . ?
O10 Co6 K1 91.1(5) . . ?
O13 Co6 Co5 69.3(3) . . ?
O13 Co6 Co4 58.9(3) . . ?
K1 Co6 Co5 20.3(5) . . ?
K1 Co6 Co4 50.4(6) . . ?
K1 Co6 O13 79.9(5) . . ?
O6 K1 O12 89.9(4) . . ?
O6 K1 O10 81.8(3) . . ?
O6 K1 O16 69.7(4) . . ?
O6 K1 C32 23.21(14) . . ?
O6 K1 O13 158.9(7) . . ?
O6 K1 O15 115.0(7) . . ?
O6 K1 O14 125.4(8) . . ?
Co5 K1 O6 107.4(13) . . ?
Co5 K1 O12 57.6(9) . . ?
Co5 K1 O10 113.6(11) . . ?
Co5 K1 Co4 8.4(7) . . ?
Co5 K1 O16 37.9(9) . . ?
Co5 K1 C32 101.8(13) . . ?
Co5 K1 O13 58.6(7) . . ?
Co5 K1 O15 38.9(9) . . ?
Co5 K1 O22 134.2(10) . 2_766 ?
Co5 K1 Co6 80.8(10) . . ?
Co5 K1 O14 18.0(7) . . ?
O12 K1 O10 56.8(3) . . ?
O12 K1 O16 62.0(4) . . ?
O12 K1 C32 106.1(4) . . ?
O12 K1 O15 96.2(6) . . ?
O10 K1 O16 111.3(4) . . ?
O10 K1 C32 104.5(3) . . ?
O10 K1 O15 149.5(5) . . ?
Co4 K1 O6 109.5(7) . . ?
Co4 K1 O12 50.2(3) . . ?
Co4 K1 O10 105.5(5) . . ?
Co4 K1 O16 41.7(4) . . ?
Co4 K1 C32 107.1(7) . . ?
Co4 K1 O13 54.3(3) . . ?
Co4 K1 O15 46.0(4) . . ?
Co4 K1 O22 128.7(5) . 2_766 ?
Co4 K1 Co6 72.4(5) . . ?
Co4 K1 O14 17.4(3) . . ?
O16 K1 C32 65.6(3) . . ?
O13 K1 O12 69.4(3) . . ?
O13 K1 O10 89.7(4) . . ?
O13 K1 O16 95.9(5) . . ?
O13 K1 C32 159.7(8) . . ?
O13 K1 O15 65.4(3) . . ?
O15 K1 O16 57.7(4) . . ?
O15 K1 C32 96.2(5) . . ?
O22 K1 O6 115.4(7) 2_766 . ?
O22 K1 O12 105.5(5) 2_766 . ?
O22 K1 O10 59.7(4) 2_766 . ?
O22 K1 O16 167.2(6) 2_766 . ?
O22 K1 C32 124.0(7) 2_766 . ?
O22 K1 O13 75.7(4) 2_766 . ?
O22 K1 O15 124.6(4) 2_766 . ?
O22 K1 Co6 66.8(6) 2_766 . ?
O22 K1 O14 117.0(5) 2_766 . ?
Co6 K1 O6 115.4(5) . . ?
Co6 K1 O12 40.1(4) . . ?
Co6 K1 O10 41.2(4) . . ?
Co6 K1 O16 100.3(7) . . ?
Co6 K1 C32 137.9(5) . . ?
Co6 K1 O13 50.2(3) . . ?
Co6 K1 O15 109.4(6) . . ?
Co6 K1 O14 73.5(6) . . ?
O14 K1 O12 62.3(5) . . ?
O14 K1 O10 112.3(6) . . ?
O14 K1 O16 55.8(5) . . ?
O14 K1 C32 118.4(7) . . ?
O14 K1 O13 41.4(4) . . ?
O14 K1 O15 37.2(5) . . ?
Co5 O14 K1 6.9(4) . . ?
Co4 O14 Co5 31.2(5) . . ?
Co4 O14 Co5 152.4(9) 2_666 . ?
Co4 O14 Co4 121.6(11) . 2_666 ?
Co4 O14 K1 37.2(7) . . ?
Co4 O14 K1 156.6(9) 2_666 . ?
Co4 O14 O14 90.3(13) . 2_666 ?
O14 O14 Co5 121.2(12) 2_666 . ?
O14 O14 Co4 31.3(6) 2_666 2_666 ?
O14 O14 K1 126.3(12) 2_666 . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.358
_oxdiff_exptl_absorpt_empirical_full_min 0.781
