# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2357976'
loop_
_audit_author_name
_audit_author_address
'Bernard Malaman'
;Universite de Lorraine
France
;
_audit_update_record             
;
2024-05-24 deposited with the CCDC.	2024-07-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H88 Cl8 Co4 N8 O13'
_chemical_formula_sum            'C92 H88 Cl8 Co4 N8 O13'
_chemical_formula_weight         2033.1

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1367(19)
_cell_length_b                   16.011(2)
_cell_length_c                   23.770(4)
_cell_angle_alpha                75.598(4)
_cell_angle_beta                 83.619(5)
_cell_angle_gamma                71.724(4)
_cell_volume                     4595.2(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    7572
_cell_measurement_theta_min      0.9
_cell_measurement_theta_max      19

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_F_000             2088
_exptl_transmission_factor_min   0.48
_exptl_transmission_factor_max   0.74
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    1.008
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS (BRUKER, 2004)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ImuS
_diffrn_measurement_device_type  'BRUKER APEX II QUAZAR CCD'
_diffrn_measurement_method       'f\ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34764
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.457
_diffrn_reflns_theta_max         24
_diffrn_reflns_theta_full        24
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.979
_reflns_number_total             7572
_reflns_number_gt                5930
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    olex2-1.3
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0344P)²+2.5892P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7572
_refine_ls_number_parameters     1109
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.0904
_refine_ls_wR_factor_gt          0.0839
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.07212(6) 0.65497(5) 0.99343(3) 0.0144(2) Uani 1 1 d . . . . .
Cl11 Cl 0.92241(11) 0.63144(10) 0.97651(6) 0.0210(4) Uani 1 1 d . . . . .
Cl12 Cl 0.10921(12) 0.77038(10) 0.93194(6) 0.0221(4) Uani 1 1 d . . . . .
N11 N 0.0882(4) 0.6391(4) 0.07993(19) 0.0121(13) Uani 1 1 d . . . . .
N12 N 0.1947(4) 0.5365(3) 0.0097(2) 0.017 Uani 1 1 d . . . . .
C11 C -0.0243(5) 0.7904(4) 0.0801(2) 0.0250(18) Uani 1 1 d . . . . .
H11A H -0.059775 0.826668 0.107310 0.038 Uiso 1 1 calc R U . . .
H11B H 0.025714 0.817529 0.055886 0.038 Uiso 1 1 calc R U . . .
H11C H -0.076519 0.786677 0.056372 0.038 Uiso 1 1 calc R U . . .
C12 C 0.0335(5) 0.6991(4) 0.1120(3) 0.0144(16) Uani 1 1 d . . . . .
C13 C 0.0353(4) 0.6741(5) 0.1725(3) 0.0146(16) Uani 1 1 d . . . . .
H13 H -0.000594 0.715804 0.194555 0.017 Uiso 1 1 calc R U . . .
C14 C 0.0901(5) 0.5882(5) 0.1992(3) 0.0163(16) Uani 1 1 d . . . . .
H14 H 0.088790 0.570229 0.239495 0.020 Uiso 1 1 calc R U . . .
C15 C 0.1478(4) 0.5275(4) 0.1659(3) 0.0140(15) Uani 1 1 d . . . . .
H15 H 0.186684 0.469122 0.183546 0.017 Uiso 1 1 calc R U . . .
C16 C 0.1462(5) 0.5556(4) 0.1064(3) 0.0131(15) Uani 1 1 d . . . . .
C17 C 0.2096(5) 0.4985(4) 0.0668(2) 0.012 Uani 1 1 d . . . . .
C18 C 0.2833(4) 0.4158(4) 0.0846(3) 0.0146(16) Uani 1 1 d . . . . .
H18 H 0.293090 0.390369 0.124055 0.017 Uiso 1 1 calc R U . . .
C19 C 0.3426(4) 0.3704(4) 0.0441(3) 0.0128(15) Uani 1 1 d . . . . .
H19 H 0.392452 0.314112 0.055912 0.015 Uiso 1 1 calc R U . . .
C110 C 0.3275(5) 0.4092(4) 0.9856(3) 0.0129(16) Uani 1 1 d . . . . .
H110 H 0.366857 0.379626 0.957490 0.015 Uiso 1 1 calc R U . . .
C111 C 0.2526(5) 0.4927(4) 0.9699(2) 0.0098(15) Uani 1 1 d . . . . .
C112 C 0.2281(4) 0.5416(4) 0.9084(2) 0.0170(16) Uani 1 1 d . . . . .
H11D H 0.154904 0.547300 0.900839 0.020 Uiso 1 1 calc R U . . .
H11E H 0.235450 0.601774 0.901620 0.020 Uiso 1 1 calc R U . . .
O11 O 0.3009(3) 0.4923(2) 0.87022(16) 0.0127(10) Uani 1 1 d . . . . .
Co2 Co 0.74373(6) 0.71992(6) 0.69834(3) 0.0197(2) Uani 1 1 d . . . . .
Cl21 Cl 0.90488(12) 0.62642(11) 0.72158(6) 0.0241(4) Uani 1 1 d . . . . .
Cl22 Cl 0.63483(12) 0.76425(11) 0.77060(6) 0.0284(5) Uani 1 1 d . . . . .
N21 N 0.6739(4) 0.6701(4) 0.6464(2) 0.0148(12) Uani 1 1 d . . . . .
N22 N 0.7570(4) 0.8059(3) 0.6218(2) 0.0197(13) Uani 1 1 d . . . . .
C21 C 0.8478(5) 0.8824(4) 0.6652(3) 0.039(2) Uani 1 1 d . . . . .
H21A H 0.884689 0.927440 0.653753 0.058 Uiso 1 1 calc R U . . .
H21B H 0.787129 0.902462 0.690274 0.058 Uiso 1 1 calc R U . . .
H21C H 0.895596 0.826891 0.685552 0.058 Uiso 1 1 calc R U . . .
C22 C 0.8102(5) 0.8675(5) 0.6124(3) 0.0236(17) Uani 1 1 d . . . . .
C23 C 0.8304(5) 0.9134(4) 0.5568(3) 0.0266(17) Uani 1 1 d . . . . .
H23 H 0.865828 0.956966 0.551112 0.032 Uiso 1 1 calc R U . . .
C24 C 0.7972(5) 0.8934(4) 0.5104(3) 0.0238(17) Uani 1 1 d . . . . .
H24 H 0.811449 0.922665 0.472699 0.029 Uiso 1 1 calc R U . . .
C25 C 0.7431(5) 0.8304(4) 0.5195(3) 0.0220(17) Uani 1 1 d . . . . .
H25 H 0.719860 0.816911 0.488215 0.026 Uiso 1 1 calc R U . . .
C26 C 0.7237(4) 0.7874(4) 0.5756(3) 0.0161(16) Uani 1 1 d . . . . .
C27 C 0.6699(4) 0.7156(4) 0.5900(3) 0.0161(16) Uani 1 1 d . . . . .
C28 C 0.6210(5) 0.6925(4) 0.5504(3) 0.0232(17) Uani 1 1 d . . . . .
H28 H 0.618714 0.723249 0.511584 0.028 Uiso 1 1 calc R U . . .
C29 C 0.5755(5) 0.6231(5) 0.5689(3) 0.0229(17) Uani 1 1 d . . . . .
H29 H 0.542009 0.607332 0.542373 0.027 Uiso 1 1 calc R U . . .
C210 C 0.5790(4) 0.5772(4) 0.6260(3) 0.0200(16) Uani 1 1 d . . . . .
H210 H 0.547535 0.530888 0.638750 0.024 Uiso 1 1 calc R U . . .
C211 C 0.6307(5) 0.6018(4) 0.6640(3) 0.0150(16) Uani 1 1 d . . . . .
C212 C 0.6472(5) 0.5522(4) 0.7259(3) 0.0190(16) Uani 1 1 d . . . . .
H21D H 0.720963 0.514088 0.730204 0.023 Uiso 1 1 calc R U . . .
H21E H 0.634455 0.595144 0.750234 0.023 Uiso 1 1 calc R U . . .
O22 O 0.5769(3) 0.4980(3) 0.74430(16) 0.0144(10) Uani 1 1 d . . . . .
Co3 Co 0.87869(6) 0.02633(6) 0.78809(3) 0.0218(3) Uani 1 1 d . . . . .
Cl31 Cl 0.84398(14) 0.10243(11) 0.69725(7) 0.0372(5) Uani 1 1 d . . . . .
Cl32 Cl 0.96441(13) 0.08988(12) 0.83242(7) 0.0366(5) Uani 1 1 d . . . . .
N31 N 0.7543(4) 0.9928(4) 0.83691(19) 0.0148(12) Uani 1 1 d . . . . .
N32 N 0.9353(4) 0.8917(3) 0.7990(2) 0.0190(13) Uani 1 1 d . . . . .
C31 C 0.1043(5) 0.8999(5) 0.7486(3) 0.0363(19) Uani 1 1 d . . . . .
H31A H 0.170238 0.860154 0.736833 0.054 Uiso 1 1 calc R U . . .
H31B H 0.069906 0.942041 0.714850 0.054 Uiso 1 1 calc R U . . .
H31C H 0.119216 0.932226 0.774113 0.054 Uiso 1 1 calc R U . . .
C32 C 0.0321(6) 0.8459(5) 0.7794(2) 0.0205(17) Uani 1 1 d . . . . .
C33 C 0.0614(5) 0.7528(5) 0.7885(3) 0.0271(18) Uani 1 1 d . . . . .
H33 H 0.128463 0.721135 0.775540 0.032 Uiso 1 1 calc R U . . .
C34 C 0.9909(6) 0.7079(5) 0.8166(3) 0.0263(18) Uani 1 1 d . . . . .
H34 H 1.009212 0.645501 0.822124 0.032 Uiso 1 1 calc R U . . .
C35 C 0.8932(5) 0.7548(5) 0.8368(2) 0.0201(17) Uani 1 1 d . . . . .
H35 H 0.845072 0.724423 0.856099 0.024 Uiso 1 1 calc R U . . .
C36 C 0.8669(5) 0.8471(5) 0.8282(2) 0.0114(15) Uani 1 1 d . . . . .
C37 C 0.7664(5) 0.9040(5) 0.8503(2) 0.0114(15) Uani 1 1 d . . . . .
C38 C 0.6910(5) 0.8690(4) 0.8848(2) 0.0180(16) Uani 1 1 d . . . . .
H38 H 0.699369 0.807360 0.892712 0.022 Uiso 1 1 calc R U . . .
C39 C 0.6025(5) 0.9265(5) 0.9078(2) 0.0203(17) Uani 1 1 d . . . . .
H39 H 0.551346 0.903957 0.931416 0.024 Uiso 1 1 calc R U . . .
C310 C 0.5919(5) 0.0172(5) 0.8948(3) 0.0184(16) Uani 1 1 d . . . . .
H310 H 0.533978 0.056792 0.910189 0.022 Uiso 1 1 calc R U . . .
C311 C 0.6685(5) 0.0494(4) 0.8587(3) 0.0162(16) Uani 1 1 d . . . . .
C312 C 0.6638(5) 0.1464(4) 0.8468(3) 0.0253(17) Uani 1 1 d . . . . .
H31D H 0.668838 0.161680 0.883218 0.030 Uiso 1 1 calc R U . . .
H31E H 0.725309 0.155221 0.822154 0.030 Uiso 1 1 calc R U . . .
O33 O 0.5678(3) 0.2065(3) 0.81923(16) 0.0158(10) Uani 1 1 d . . . . .
Co4 Co 0.05291(7) 0.28069(6) 0.62814(3) 0.0215(3) Uani 1 1 d . . . . .
O41 O 0.0151(4) 0.2103(3) 0.70844(18) 0.0543(14) Uani 1 1 d . . . . .
Cl41 Cl 0.89547(13) 0.39634(11) 0.64324(6) 0.0292(5) Uani 1 1 d . . . . .
Cl42 Cl 0.20519(14) 0.15299(12) 0.63116(7) 0.0389(5) Uani 1 1 d . . . . .
N41 N 0.0317(4) 0.3081(4) 0.5399(2) 0.0182(13) Uani 1 1 d . . . . .
N42 N 0.1410(4) 0.3711(3) 0.5961(2) 0.0163(13) Uani 1 1 d . . . . .
C41 C 0.9342(5) 0.1980(4) 0.5559(3) 0.0327(19) Uani 1 1 d . . . . .
H41A H 0.898168 0.173586 0.534003 0.049 Uiso 1 1 calc R U . . .
H41B H 0.991774 0.150393 0.576181 0.049 Uiso 1 1 calc R U . . .
H41C H 0.884334 0.225669 0.583491 0.049 Uiso 1 1 calc R U . . .
C42 C 0.9782(5) 0.2668(4) 0.5158(3) 0.0173(16) Uani 1 1 d . . . . .
C43 C 0.9676(5) 0.2904(5) 0.4563(3) 0.0259(18) Uani 1 1 d . . . . .
H43 H 0.932257 0.261447 0.439203 0.031 Uiso 1 1 calc R U . . .
C44 C 0.0084(5) 0.3560(5) 0.4221(3) 0.0221(17) Uani 1 1 d . . . . .
H44 H -0.000249 0.372264 0.382103 0.027 Uiso 1 1 calc R U . . .
C45 C 0.0622(5) 0.3973(4) 0.4474(3) 0.0222(17) Uani 1 1 d . . . . .
H45 H 0.090015 0.442175 0.425017 0.027 Uiso 1 1 calc R U . . .
C46 C 0.0743(5) 0.3710(4) 0.5069(3) 0.0139(15) Uani 1 1 d . . . . .
C47 C 0.1353(4) 0.4071(4) 0.5390(3) 0.0154(16) Uani 1 1 d . . . . .
C48 C 0.1851(5) 0.4721(4) 0.5126(3) 0.0198(17) Uani 1 1 d . . . . .
H48 H 0.179175 0.497898 0.472992 0.024 Uiso 1 1 calc R U . . .
C49 C 0.2446(4) 0.4980(4) 0.5466(3) 0.0197(16) Uani 1 1 d . . . . .
H49 H 0.278992 0.541422 0.529969 0.024 Uiso 1 1 calc R U . . .
C410 C 0.2518(5) 0.4587(4) 0.6051(3) 0.0200(17) Uani 1 1 d . . . . .
H410 H 0.292795 0.474022 0.628142 0.024 Uiso 1 1 calc R U . . .
C411 C 0.1974(5) 0.3961(4) 0.6293(3) 0.0163(16) Uani 1 1 d . . . . .
C412 C 0.1949(5) 0.3515(4) 0.6919(2) 0.0181(16) Uani 1 1 d . . . . .
H41D H 0.123492 0.373286 0.708599 0.022 Uiso 1 1 calc R U . . .
H41E H 0.211620 0.286812 0.696184 0.022 Uiso 1 1 calc R U . . .
O44 O 0.2707(3) 0.3698(2) 0.72210(15) 0.0136(10) Uani 1 1 d . . . . .
C511 C 0.5738(5) 0.2460(4) 0.7606(3) 0.0161(16) Uani 1 1 d . . . . .
C512 C 0.5873(5) 0.4566(5) 0.8037(3) 0.0140(16) Uani 1 1 d . . . . .
C513 C 0.2759(5) 0.3228(5) 0.7809(3) 0.020 Uani 1 1 d . . . . .
C514 C 0.2913(5) 0.5393(4) 0.8123(3) 0.0109(15) Uani 1 1 d . . . . .
C515 C 0.2120(5) 0.5779(4) 0.7211(3) 0.0156(16) Uani 1 1 d . . . . .
H515 H 0.161872 0.574141 0.697823 0.019 Uiso 1 1 calc R U . . .
C516 C 0.6212(5) 0.3778(4) 0.9202(3) 0.0134(15) Uani 1 1 d . . . . .
C517 C 0.6763(4) 0.3323(4) 0.8776(3) 0.0157(16) Uani 1 1 d . . . . .
H517 H 0.726042 0.275820 0.888789 0.019 Uiso 1 1 calc R U . . .
C518 C 0.3597(4) 0.5911(4) 0.7901(3) 0.0097(15) Uani 1 1 d . . . . .
C519 C 0.2773(5) 0.6314(4) 0.6969(2) 0.0118(15) Uani 1 1 d . . . . .
C610 C 0.1503(4) 0.4666(4) 0.8032(2) 0.0159(16) Uani 1 1 d . . . . .
H61A H 0.108789 0.485523 0.836665 0.019 Uiso 1 1 calc R U . . .
H61B H 0.100199 0.472286 0.774458 0.019 Uiso 1 1 calc R U . . .
C611 C 0.3398(4) 0.2355(4) 0.7961(3) 0.0117(15) Uani 1 1 d . . . . .
C612 C 0.2178(4) 0.5298(4) 0.7780(3) 0.0096(15) Uani 1 1 d . . . . .
C613 C 0.5479(5) 0.4610(5) 0.9023(3) 0.0151(16) Uani 1 1 d . . . . .
H613 H 0.509841 0.491052 0.930441 0.018 Uiso 1 1 calc R U . . .
C614 C 0.6448(5) 0.3393(4) 0.9833(2) 0.0183(16) Uani 1 1 d . . . . .
H61C H 0.722093 0.319491 0.986670 0.022 Uiso 1 1 calc R U . . .
H61D H 0.616144 0.387884 1.003582 0.022 Uiso 1 1 calc R U . . .
C615 C 0.2197(5) 0.3232(5) 0.8793(3) 0.0147(16) Uani 1 1 d . . . . .
H615 H 0.180953 0.353231 0.907378 0.018 Uiso 1 1 calc R U . . .
C616 C 0.7174(4) 0.3195(4) 0.7724(2) 0.0159(16) Uani 1 1 d . . . . .
H61E H 0.768356 0.263484 0.791113 0.019 Uiso 1 1 calc R U . . .
H61F H 0.757596 0.355804 0.746451 0.019 Uiso 1 1 calc R U . . .
C617 C 0.2144(4) 0.3693(4) 0.8214(3) 0.0103(15) Uani 1 1 d . . . . .
C618 C 0.2718(5) 0.6781(4) 0.6329(2) 0.0199(17) Uani 1 1 d . . . . .
H61G H 0.340815 0.655142 0.613980 0.024 Uiso 1 1 calc R U . . .
H61H H 0.218968 0.662295 0.615545 0.024 Uiso 1 1 calc R U . . .
C619 C 0.4458(4) 0.5940(4) 0.8266(2) 0.0153(16) Uani 1 1 d . . . . .
H61I H 0.481871 0.636954 0.804608 0.018 Uiso 1 1 calc R U . . .
H61J H 0.412401 0.614758 0.861190 0.018 Uiso 1 1 calc R U . . .
C620 C 0.6584(5) 0.3697(4) 0.8189(3) 0.0120(16) Uani 1 1 d . . . . .
C621 C 0.3517(4) 0.6374(4) 0.7321(3) 0.0126(15) Uani 1 1 d . . . . .
H621 H 0.396734 0.672797 0.716524 0.015 Uiso 1 1 calc R U . . .
C622 C 0.4171(4) 0.1887(4) 0.7531(2) 0.0174(16) Uani 1 1 d . . . . .
H62A H 0.376590 0.184744 0.722682 0.021 Uiso 1 1 calc R U . . .
H62B H 0.454474 0.127628 0.773043 0.021 Uiso 1 1 calc R U . . .
C623 C 0.6429(4) 0.2978(4) 0.7365(3) 0.0125(15) Uani 1 1 d . . . . .
C624 C 0.5276(4) 0.5025(4) 0.8445(3) 0.0105(15) Uani 1 1 d . . . . .
C625 C 0.2805(5) 0.2344(5) 0.8966(2) 0.0128(16) Uani 1 1 d . . . . .
C626 C 0.6419(5) 0.3329(4) 0.6771(3) 0.0186(16) Uani 1 1 d . . . . .
H626 H 0.690343 0.364431 0.660043 0.022 Uiso 1 1 calc R U . . .
C627 C 0.3399(4) 0.1919(4) 0.8539(3) 0.0155(16) Uani 1 1 d . . . . .
H627 H 0.381178 0.131851 0.864742 0.019 Uiso 1 1 calc R U . . .
C629 C 0.4991(5) 0.2766(4) 0.6679(3) 0.0173(16) Uani 1 1 d . . . . .
H629 H 0.449007 0.272062 0.644896 0.021 Uiso 1 1 calc R U . . .
C630 C 0.4986(4) 0.2371(4) 0.7259(3) 0.0127(15) Uani 1 1 d . . . . .
C631 C 0.5710(5) 0.3227(4) 0.6422(2) 0.0180(16) Uani 1 1 d . . . . .
C635 C 0.5732(5) 0.3623(4) 0.5771(2) 0.0215(17) Uani 1 1 d . . . . .
H63A H 0.500446 0.395637 0.565352 0.026 Uiso 1 1 calc R U . . .
H63B H 0.614541 0.404872 0.569072 0.026 Uiso 1 1 calc R U . . .
C643 C 0.2911(5) 0.1869(4) -0.0395(2) 0.0157(16) Uani 1 1 d . . . . .
H64A H 0.356713 0.189932 -0.026122 0.019 Uiso 1 1 calc R U . . .
H64B H 0.231622 0.219162 -0.017578 0.019 Uiso 1 1 calc R U . . .
C632 C 0.6035(5) 0.2627(4) 0.0146(3) 0.0169(16) Uani 1 1 d . . . . .
C636 C 0.5964(5) 0.1694(4) 0.1104(3) 0.0287(18) Uani 1 1 d . . . . .
H63C H 0.615753 0.120228 0.090499 0.034 Uiso 1 1 calc R U . . .
H63D H 0.521086 0.181516 0.122315 0.034 Uiso 1 1 calc R U . . .
C640 C 0.6634(5) 0.1443(4) 0.1622(3) 0.0350(19) Uani 1 1 d . . . . .
H64C H 0.652096 0.091392 0.188315 0.053 Uiso 1 1 calc R U . . .
H64D H 0.737693 0.132206 0.150016 0.053 Uiso 1 1 calc R U . . .
H64E H 0.643382 0.193265 0.181713 0.053 Uiso 1 1 calc R U . . .
C633 C 0.2435(6) 0.7794(5) 0.6209(2) 0.0190(17) Uani 1 1 d . . . . .
C638 C 0.3131(5) 0.9011(4) 0.6208(3) 0.0312(18) Uani 1 1 d . . . . .
H63E H 0.253693 0.927109 0.645404 0.037 Uiso 1 1 calc R U . . .
H63F H 0.297400 0.931289 0.580625 0.037 Uiso 1 1 calc R U . . .
C642 C 0.4156(6) 0.9117(5) 0.6366(3) 0.055(2) Uani 1 1 d . . . . .
H64F H 0.408218 0.974648 0.631465 0.083 Uiso 1 1 calc R U . . .
H64G H 0.430195 0.881451 0.676439 0.083 Uiso 1 1 calc R U . . .
H64H H 0.473690 0.885610 0.611973 0.083 Uiso 1 1 calc R U . . .
C628 C 0.2930(6) 0.0895(5) 0.9732(3) 0.0183(17) Uani 1 1 d . . . . .
C637 C 0.1995(5) 0.9835(4) 0.0164(2) 0.0224(17) Uani 1 1 d . . . . .
H63G H 0.156446 0.972344 0.051735 0.027 Uiso 1 1 calc R U . . .
H63H H 0.270695 0.940906 0.022299 0.027 Uiso 1 1 calc R U . . .
C644 C 0.1502(5) 0.9692(4) -0.0329(3) 0.0316(18) Uani 1 1 d . . . . .
H64I H 0.146327 0.908369 -0.024222 0.047 Uiso 1 1 calc R U . . .
H64J H 0.079325 1.010657 -0.038406 0.047 Uiso 1 1 calc R U . . .
H64K H 0.193438 0.979256 -0.067807 0.047 Uiso 1 1 calc R U . . .
C634 C 0.6198(5) 0.2937(5) 0.5411(3) 0.0211(17) Uani 1 1 d . . . . .
C641 C 0.6171(5) 0.1544(4) 0.5239(3) 0.0310(18) Uani 1 1 d . . . . .
H64L H 0.694252 0.129873 0.527482 0.037 Uiso 1 1 calc R U . . .
H64M H 0.601326 0.175866 0.482992 0.037 Uiso 1 1 calc R U . . .
C639 C 0.5625(5) 0.0838(4) 0.5528(3) 0.043(2) Uani 1 1 d . . . . .
H63I H 0.587656 0.033493 0.534466 0.065 Uiso 1 1 calc R U . . .
H63J H 0.578668 0.063566 0.593208 0.065 Uiso 1 1 calc R U . . .
H63K H 0.486286 0.109289 0.548978 0.065 Uiso 1 1 calc R U . . .
O51 O 0.6151(3) 0.2492(3) 0.07200(18) 0.0215(11) Uani 1 1 d . . . . .
O52 O 0.5663(3) 0.2186(3) 0.99352(17) 0.0256(11) Uani 1 1 d . . . . .
O53 O 0.6880(4) 0.2991(3) 0.50249(19) 0.0305(12) Uani 1 1 d . . . . .
O54 O 0.5745(3) 0.2273(3) 0.55416(16) 0.0273(11) Uani 1 1 d . . . . .
O55 O 0.2069(3) 0.0750(3) 1.00491(16) 0.0180(10) Uani 1 1 d . . . . .
O56 O 0.3294(3) 0.8044(3) 0.62949(16) 0.0238(11) Uani 1 1 d . . . . .
O57 O 0.3645(4) 0.0307(3) 0.95700(17) 0.0259(11) Uani 1 1 d . . . . .
O58 O 0.1582(4) 0.8319(3) 0.60605(18) 0.0331(12) Uani 1 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 N11 2.034(4) 1_556 ?
Co1 N12 2.049(5) 1_556 ?
Co1 Cl12 2.2025(17) . ?
Co1 Cl11 2.2108(16) 1_455 ?
N11 C16 1.347(7) . ?
N11 C12 1.352(7) . ?
N12 C111 1.340(7) 1_554 ?
N12 C17 1.353(7) . ?
C11 C12 1.473(8) . ?
C12 C13 1.395(8) . ?
C13 C14 1.363(8) . ?
C14 C15 1.389(7) . ?
C15 C16 1.375(8) . ?
C16 C17 1.479(8) . ?
C17 C18 1.370(7) . ?
C18 C19 1.375(7) . ?
C19 C110 1.383(7) 1_554 ?
C110 C111 1.380(7) . ?
C111 C112 1.495(8) . ?
C112 O11 1.432(6) . ?
O11 C514 1.393(6) . ?
Co2 N22 2.018(5) . ?
Co2 N21 2.050(5) . ?
Co2 Cl21 2.2110(18) . ?
Co2 Cl22 2.2192(16) . ?
N21 C211 1.342(7) . ?
N21 C27 1.355(7) . ?
N22 C22 1.340(7) . ?
N22 C26 1.355(7) . ?
C21 C22 1.496(8) . ?
C22 C23 1.384(8) . ?
C23 C24 1.372(8) . ?
C24 C25 1.369(8) . ?
C25 C26 1.378(8) . ?
C26 C27 1.482(8) . ?
C27 C28 1.377(8) . ?
C28 C29 1.378(8) . ?
C29 C210 1.371(8) . ?
C210 C211 1.383(7) . ?
C211 C212 1.492(8) . ?
C212 O22 1.422(6) . ?
O22 C512 1.403(6) . ?
Co3 N32 2.006(5) 1_545 ?
Co3 N31 2.031(5) 1_545 ?
Co3 Cl31 2.2174(18) . ?
Co3 Cl32 2.2202(17) . ?
N31 C37 1.338(7) . ?
N31 C311 1.350(7) 1_565 ?
N32 C36 1.348(7) . ?
N32 C32 1.350(7) 1_655 ?
C31 C32 1.493(8) . ?
C32 C33 1.385(8) . ?
C33 C34 1.364(8) 1_455 ?
C34 C35 1.371(8) . ?
C35 C36 1.375(8) . ?
C36 C37 1.476(8) . ?
C37 C38 1.382(8) . ?
C38 C39 1.391(8) . ?
C39 C310 1.372(8) 1_565 ?
C310 C311 1.388(8) . ?
C311 C312 1.491(8) . ?
C312 O33 1.434(6) . ?
O33 C511 1.385(7) . ?
Co4 O41 2.057(4) . ?
Co4 N41 2.066(5) . ?
Co4 N42 2.079(5) . ?
Co4 Cl42 2.3624(19) . ?
Co4 Cl41 2.3662(18) 1_455 ?
N41 C46 1.342(7) . ?
N41 C42 1.351(7) 1_455 ?
N42 C47 1.338(7) . ?
N42 C411 1.343(7) . ?
C41 C42 1.487(8) . ?
C42 C43 1.382(8) . ?
C43 C44 1.372(8) 1_655 ?
C44 C45 1.374(8) . ?
C45 C46 1.384(8) . ?
C46 C47 1.485(8) . ?
C47 C48 1.384(8) . ?
C48 C49 1.396(8) . ?
C49 C410 1.376(8) . ?
C410 C411 1.384(8) . ?
C411 C412 1.484(8) . ?
C412 O44 1.427(6) . ?
O44 C513 1.411(7) . ?
C511 C623 1.400(8) . ?
C511 C630 1.415(7) . ?
C512 C624 1.386(8) . ?
C512 C620 1.395(8) . ?
C513 C611 1.367(8) . ?
C513 C617 1.394(8) . ?
C514 C518 1.385(7) . ?
C514 C612 1.397(7) . ?
C515 C612 1.377(7) . ?
C515 C519 1.380(7) . ?
C516 C613 1.374(8) . ?
C516 C517 1.398(8) . ?
C516 C614 1.501(8) . ?
C517 C620 1.390(8) . ?
C518 C621 1.392(7) . ?
C518 C619 1.520(7) . ?
C519 C621 1.394(7) . ?
C519 C618 1.519(8) . ?
C610 C617 1.498(7) . ?
C610 C612 1.520(7) . ?
C611 C627 1.378(8) . ?
C611 C622 1.519(7) . ?
C613 C624 1.384(8) . ?
C614 C632 1.492(8) 1_556 ?
C615 C625 1.378(7) . ?
C615 C617 1.388(7) . ?
C616 C620 1.525(7) . ?
C616 C623 1.534(7) . ?
C618 C633 1.505(8) . ?
C619 C624 1.512(7) . ?
C622 C630 1.512(7) . ?
C623 C626 1.385(8) . ?
C625 C627 1.392(7) . ?
C625 C643 1.520(8) 1_556 ?
C626 C631 1.386(7) . ?
C629 C630 1.367(8) . ?
C629 C631 1.376(7) . ?
C631 C635 1.519(8) . ?
C635 C634 1.498(8) . ?
C643 C628 1.505(8) 1_554 ?
C632 O52 1.197(6) 1_554 ?
C632 O51 1.346(6) . ?
C636 O51 1.447(7) . ?
C636 C640 1.493(8) . ?
C633 O58 1.198(7) . ?
C633 O56 1.360(7) . ?
C638 O56 1.459(7) . ?
C638 C642 1.506(8) . ?
C628 O57 1.210(7) . ?
C628 O55 1.338(7) . ?
C637 O55 1.454(6) 1_564 ?
C637 C644 1.498(7) . ?
C634 O53 1.216(7) . ?
C634 O54 1.332(7) . ?
C641 O54 1.452(7) . ?
C641 C639 1.510(8) . ?

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
N11 Co1 N12 79.7(2) 1_556 1_556 ?
N11 Co1 Cl12 119.01(14) 1_556 . ?
N12 Co1 Cl12 116.53(13) 1_556 . ?
N11 Co1 Cl11 111.40(13) 1_556 1_455 ?
N12 Co1 Cl11 111.08(13) 1_556 1_455 ?
Cl12 Co1 Cl11 114.43(7) . 1_455 ?
C16 N11 C12 120.0(5) . . ?
C16 N11 Co1 113.8(4) . 1_554 ?
C12 N11 Co1 125.3(5) . 1_554 ?
C111 N12 C17 119.6(5) 1_554 . ?
C111 N12 Co1 126.3(4) 1_554 1_554 ?
C17 N12 Co1 113.9(4) . 1_554 ?
N11 C12 C13 120.1(6) . . ?
N11 C12 C11 117.1(6) . . ?
C13 C12 C11 122.7(6) . . ?
C14 C13 C12 119.6(6) . . ?
C13 C14 C15 119.8(6) . . ?
C16 C15 C14 118.7(6) . . ?
N11 C16 C15 121.6(5) . . ?
N11 C16 C17 115.2(5) . . ?
C15 C16 C17 123.2(6) . . ?
N12 C17 C18 120.7(5) . . ?
N12 C17 C16 114.7(6) . . ?
C18 C17 C16 124.5(5) . . ?
C17 C18 C19 119.9(5) . . ?
C18 C19 C110 119.4(6) . 1_554 ?
C111 C110 C19 118.4(5) . 1_556 ?
N12 C111 C110 121.9(5) 1_556 . ?
N12 C111 C112 114.4(5) 1_556 . ?
C110 C111 C112 123.7(5) . . ?
O11 C112 C111 109.2(5) . . ?
C514 O11 C112 112.3(4) . . ?
N22 Co2 N21 81.0(2) . . ?
N22 Co2 Cl21 108.50(14) . . ?
N21 Co2 Cl21 109.66(14) . . ?
N22 Co2 Cl22 122.22(15) . . ?
N21 Co2 Cl22 112.74(14) . . ?
Cl21 Co2 Cl22 116.96(7) . . ?
C211 N21 C27 120.2(5) . . ?
C211 N21 Co2 126.2(4) . . ?
C27 N21 Co2 113.6(4) . . ?
C22 N22 C26 119.1(5) . . ?
C22 N22 Co2 125.5(4) . . ?
C26 N22 Co2 114.4(4) . . ?
N22 C22 C23 121.6(5) . . ?
N22 C22 C21 116.2(6) . . ?
C23 C22 C21 122.2(6) . . ?
C24 C23 C22 118.9(6) . . ?
C23 C24 C25 119.9(6) . . ?
C24 C25 C26 119.1(6) . . ?
N22 C26 C25 121.4(6) . . ?
N22 C26 C27 115.3(6) . . ?
C25 C26 C27 123.2(6) . . ?
N21 C27 C28 120.3(6) . . ?
N21 C27 C26 115.1(6) . . ?
C28 C27 C26 124.6(6) . . ?
C29 C28 C27 119.2(6) . . ?
C210 C29 C28 120.7(5) . . ?
C29 C210 C211 118.0(6) . . ?
N21 C211 C210 121.6(6) . . ?
N21 C211 C212 115.4(5) . . ?
C210 C211 C212 122.9(6) . . ?
O22 C212 C211 111.0(5) . . ?
C512 O22 C212 110.8(4) . . ?
N32 Co3 N31 81.3(2) 1_545 1_545 ?
N32 Co3 Cl31 115.10(14) 1_545 . ?
N31 Co3 Cl31 116.21(14) 1_545 . ?
N32 Co3 Cl32 116.48(14) 1_545 . ?
N31 Co3 Cl32 113.10(14) 1_545 . ?
Cl31 Co3 Cl32 111.63(7) . . ?
C37 N31 C311 119.8(5) . 1_565 ?
C37 N31 Co3 113.5(4) . 1_565 ?
C311 N31 Co3 126.6(4) 1_565 1_565 ?
C36 N32 C32 120.4(5) . 1_655 ?
C36 N32 Co3 114.1(4) . 1_565 ?
C32 N32 Co3 125.6(5) 1_655 1_565 ?
N32 C32 C33 120.3(6) 1_455 . ?
N32 C32 C31 117.2(6) 1_455 . ?
C33 C32 C31 122.5(7) . . ?
C34 C33 C32 119.3(6) 1_455 . ?
C33 C34 C35 120.0(6) 1_655 . ?
C34 C35 C36 119.5(6) . . ?
N32 C36 C35 120.5(5) . . ?
N32 C36 C37 115.2(6) . . ?
C35 C36 C37 124.3(6) . . ?
N31 C37 C38 121.2(5) . . ?
N31 C37 C36 115.7(6) . . ?
C38 C37 C36 123.0(6) . . ?
C37 C38 C39 119.5(6) . . ?
C310 C39 C38 118.8(6) 1_565 . ?
C39 C310 C311 119.5(6) 1_545 . ?
N31 C311 C310 121.2(5) 1_545 . ?
N31 C311 C312 117.6(6) 1_545 . ?
C310 C311 C312 121.0(6) . . ?
O33 C312 C311 113.3(5) . . ?
C511 O33 C312 118.5(4) . . ?
O41 Co4 N41 145.0(2) . . ?
O41 Co4 N42 136.6(2) . . ?
N41 Co4 N42 78.5(2) . . ?
O41 Co4 Cl42 84.23(14) . . ?
N41 Co4 Cl42 96.40(14) . . ?
N42 Co4 Cl42 93.28(13) . . ?
O41 Co4 Cl41 85.42(14) . 1_455 ?
N41 Co4 Cl41 93.14(13) . 1_455 ?
N42 Co4 Cl41 92.94(13) . 1_455 ?
Cl42 Co4 Cl41 169.49(7) . 1_455 ?
C46 N41 C42 121.1(5) . 1_455 ?
C46 N41 Co4 115.7(4) . . ?
C42 N41 Co4 123.2(4) 1_455 . ?
C47 N42 C411 120.5(5) . . ?
C47 N42 Co4 115.4(4) . . ?
C411 N42 Co4 124.1(4) . . ?
N41 C42 C43 118.9(6) 1_655 . ?
N41 C42 C41 117.1(5) 1_655 . ?
C43 C42 C41 124.0(6) . . ?
C44 C43 C42 120.8(6) 1_655 . ?
C43 C44 C45 119.3(6) 1_455 . ?
C44 C45 C46 118.9(6) . . ?
N41 C46 C45 121.0(5) . . ?
N41 C46 C47 115.1(5) . . ?
C45 C46 C47 123.9(6) . . ?
N42 C47 C48 121.3(5) . . ?
N42 C47 C46 115.1(6) . . ?
C48 C47 C46 123.6(6) . . ?
C47 C48 C49 118.6(6) . . ?
C410 C49 C48 119.4(6) . . ?
C49 C410 C411 119.3(5) . . ?
N42 C411 C410 120.9(5) . . ?
N42 C411 C412 114.3(6) . . ?
C410 C411 C412 124.8(6) . . ?
O44 C412 C411 110.6(5) . . ?
C513 O44 C412 111.9(4) . . ?
O33 C511 C623 123.6(5) . . ?
O33 C511 C630 115.6(5) . . ?
C623 C511 C630 120.7(6) . . ?
C624 C512 C620 122.8(6) . . ?
C624 C512 O22 119.5(6) . . ?
C620 C512 O22 117.7(5) . . ?
C611 C513 C617 122.8(6) . . ?
C611 C513 O44 120.0(5) . . ?
C617 C513 O44 117.2(6) . . ?
C518 C514 O11 118.0(5) . . ?
C518 C514 C612 122.2(5) . . ?
O11 C514 C612 119.8(5) . . ?
C612 C515 C519 123.0(5) . . ?
C613 C516 C517 117.9(5) . . ?
C613 C516 C614 120.8(5) . . ?
C517 C516 C614 121.2(6) . . ?
C620 C517 C516 121.4(6) . . ?
C514 C518 C621 118.4(5) . . ?
C514 C518 C619 121.4(5) . . ?
C621 C518 C619 120.1(5) . . ?
C515 C519 C621 118.3(5) . . ?
C515 C519 C618 120.4(5) . . ?
C621 C519 C618 121.2(5) . . ?
C617 C610 C612 114.0(5) . . ?
C513 C611 C627 117.7(5) . . ?
C513 C611 C622 122.8(5) . . ?
C627 C611 C622 119.3(6) . . ?
C515 C612 C514 117.1(5) . . ?
C515 C612 C610 122.7(5) . . ?
C514 C612 C610 120.2(5) . . ?
C516 C613 C624 123.5(6) . . ?
C632 C614 C516 118.0(5) 1_556 . ?
C625 C615 C617 122.1(5) . . ?
C620 C616 C623 113.7(4) . . ?
C615 C617 C513 117.2(6) . . ?
C615 C617 C610 121.8(5) . . ?
C513 C617 C610 120.9(5) . . ?
C633 C618 C519 114.4(5) . . ?
C624 C619 C518 111.9(4) . . ?
C517 C620 C512 117.5(5) . . ?
C517 C620 C616 121.4(6) . . ?
C512 C620 C616 121.0(5) . . ?
C519 C621 C518 120.9(5) . . ?
C611 C622 C630 112.8(4) . . ?
C626 C623 C511 117.9(5) . . ?
C626 C623 C616 118.4(5) . . ?
C511 C623 C616 123.7(5) . . ?
C512 C624 C613 116.7(6) . . ?
C512 C624 C619 121.6(5) . . ?
C613 C624 C619 121.7(5) . . ?
C615 C625 C627 117.7(5) . . ?
C615 C625 C643 121.3(5) . 1_556 ?
C627 C625 C643 120.7(6) . 1_556 ?
C631 C626 C623 122.0(5) . . ?
C611 C627 C625 122.4(6) . . ?
C630 C629 C631 122.4(5) . . ?
C629 C630 C511 118.3(5) . . ?
C629 C630 C622 121.2(5) . . ?
C511 C630 C622 120.5(6) . . ?
C629 C631 C626 118.5(5) . . ?
C629 C631 C635 121.4(5) . . ?
C626 C631 C635 120.0(6) . . ?
C634 C635 C631 114.3(5) . . ?
C628 C643 C625 114.2(5) 1_554 1_554 ?
O52 C632 O51 124.0(6) 1_554 . ?
O52 C632 C614 127.1(6) 1_554 1_554 ?
O51 C632 C614 108.8(5) . 1_554 ?
O51 C636 C640 108.1(5) . . ?
O58 C633 O56 123.7(6) . . ?
O58 C633 C618 126.1(6) . . ?
O56 C633 C618 110.2(6) . . ?
O56 C638 C642 106.8(5) . . ?
O57 C628 O55 123.6(6) . . ?
O57 C628 C643 124.0(6) . 1_556 ?
O55 C628 C643 112.4(6) . 1_556 ?
O55 C637 C644 111.2(5) 1_564 . ?
O53 C634 O54 123.1(6) . . ?
O53 C634 C635 124.5(6) . . ?
O54 C634 C635 112.3(6) . . ?
O54 C641 C639 105.6(5) . . ?
C632 O51 C636 118.7(4) . . ?
C634 O54 C641 117.1(5) . . ?
C628 O55 C637 115.9(5) . 1_546 ?
C633 O56 C638 116.5(5) . . ?

_refine_diff_density_max         0.410
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.060




# start Validation Reply Form
_vrf_THETM01_shelx               
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: we do not have answer
;
_vrf_PLAT211_shelx               
;
PROBLEM: ADP of Atom C111 is N.P.D. or (nearly) 2D. Please Check
RESPONSE: not enough data available 
;
_vrf_PLAT213_shelx               
;
PROBLEM: Atom C18 has ADP max/min Ratio ..... 10.1 prolat
RESPONSE: not enough data available
;
_vrf_PLAT196_shelx               
;
PROBLEM: No TEMP record and _measurement_temperature.NE. 293 Degree
RESPONSE: how to proceed? Temperature is 90 K for cell and measurement as written in the cif file..
;
_vrf_PLAT220_shelx               
;
PROBLEM: NonSolvent Resd 1 C Ueq(max)/Ueq(min) Range 6.1 Ratio
RESPONSE: not enough data available
;
_vrf_PLAT780_shelx               
;
PROBLEM: Coordinates do not Form a Properly Connected Set Please Do!
RESPONSE: the structure is correctly and logically built, all atoms are correctly attached to give a chemically coherent association. Molecules from neighboring cells share their space giving formal bridges between cell units. 
;
_vrf_PLAT029_shelx               
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low. 0.979 Why?
RESPONSE: under 1 angtr\"om, here 1.24 according to the powder pattern, the fj fall down rapidly, as often encountered with organic compounds. 
;
_vrf_PLAT218_shelx               
;
PROBLEM: Constrained U(ij) Components(s) for N12. 6 Check
RESPONSE: not enough data available
;
_vrf_PLAT222_shelx               
;
PROBLEM: NonSolvent Resd 1 H Uiso(max)/Uiso(min) Range 5.5 Ratio
RESPONSE: H mathematically positioned.
;
_vrf_PLAT341_shelx               
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.00942 Ang.
RESPONSE: not enough data for certain CC bonds; the results are very good around cobalt centres, 
;
_vrf_PLAT410_shelx               
;
PROBLEM: Short Intra H...H Contact H31E ..H61E . 1.94 Ang.
RESPONSE: H mathematically positioned.
;
_vrf_PLAT601_shelx               
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS of 86 Ang**3
RESPONSE: no solvent molecules were found in these void volumes that represent about only 2% of the unit cell volume
;
# end Validation Reply Form

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2 and CH3CN'
