# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_DG13R
_database_code_depnum_ccdc_archive 'CCDC 2464450'
loop_
_audit_author_name
_audit_author_address
'Dr. Elias Jesu Packiam'
;IIT MADRAS
India
;
_audit_update_record             
;
2025-10-29 deposited with the CCDC.	2025-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H71 B9 Co4 Fe O'
_chemical_formula_weight         968.83

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'
B B 0.0013 0.0007 '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'
Fe Fe 0.3463 0.8444 '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'

_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                   15.677(2)
_cell_length_b                   17.2637(19)
_cell_length_c                   19.000(2)
_cell_angle_alpha                82.268(4)
_cell_angle_beta                 78.144(4)
_cell_angle_gamma                89.950(4)
_cell_volume                     4984.8(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8226
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      23.2

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_F_000             2016
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.616
_shelx_estimated_absorpt_T_min   0.794
_shelx_estimated_absorpt_T_max   0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed microfocus tube'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            217162
_diffrn_reflns_av_unetI/netI     0.2196
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.896
_diffrn_reflns_theta_max         28.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             217162
_reflns_number_gt                107440
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0943P)²+0.1327P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         217162
_refine_ls_number_parameters     1089
_refine_ls_number_restraints     586
_refine_ls_R_factor_all          0.1943
_refine_ls_R_factor_gt           0.1024
_refine_ls_wR_factor_ref         0.2978
_refine_ls_wR_factor_gt          0.2372
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_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
H25 H 0.930(7) 0.238(6) 0.570(5) 0.08(2) Uiso 1 1 d D U . . .
H41 H 0.570(7) 0.764(6) 0.566(4) 0.08(2) Uiso 1 1 d D U . . .
C1 C 0.3811(7) 0.5023(6) 0.7428(6) 0.029(3) Uani 1 1 d . U . . .
C2 C 0.3228(7) 0.5415(6) 0.7017(6) 0.027(3) Uani 1 1 d . U . . .
C3 C 0.2543(7) 0.5718(6) 0.7511(6) 0.028(3) Uani 1 1 d . U . . .
C4 C 0.2689(8) 0.5510(7) 0.8216(6) 0.037(3) Uani 1 1 d . U . . .
C5 C 0.3478(9) 0.5105(7) 0.8171(6) 0.037(3) Uani 1 1 d . U . . .
C6 C 0.3889(11) 0.4755(8) 0.8795(7) 0.063(5) Uani 1 1 d . . . . .
H6A H 0.380284 0.510205 0.917031 0.095 Uiso 1 1 calc R U . . .
H6B H 0.451438 0.469478 0.861654 0.095 Uiso 1 1 calc R U . . .
H6C H 0.361412 0.424231 0.900153 0.095 Uiso 1 1 calc R U . . .
C7 C 0.4625(8) 0.4614(7) 0.7135(8) 0.045(4) Uani 1 1 d . . . . .
H7A H 0.479580 0.476961 0.660905 0.068 Uiso 1 1 calc R U . . .
H7B H 0.451687 0.404690 0.723803 0.068 Uiso 1 1 calc R U . . .
H7C H 0.509495 0.475791 0.736652 0.068 Uiso 1 1 calc R U . . .
C8 C 0.3309(8) 0.5478(7) 0.6218(6) 0.036(3) Uani 1 1 d . . . . .
H8A H 0.392409 0.545385 0.598281 0.054 Uiso 1 1 calc R U . . .
H8B H 0.307549 0.597663 0.603999 0.054 Uiso 1 1 calc R U . . .
H8C H 0.297932 0.504556 0.610484 0.054 Uiso 1 1 calc R U . . .
C9 C 0.1770(8) 0.6121(8) 0.7321(9) 0.057(4) Uani 1 1 d . . . . .
H9A H 0.130553 0.573356 0.734220 0.086 Uiso 1 1 calc R U . . .
H9B H 0.192739 0.640795 0.682963 0.086 Uiso 1 1 calc R U . . .
H9C H 0.156480 0.648758 0.766713 0.086 Uiso 1 1 calc R U . . .
C10 C 0.2117(10) 0.5689(8) 0.8913(7) 0.066(5) Uani 1 1 d . . . . .
H10A H 0.188080 0.621153 0.883384 0.099 Uiso 1 1 calc R U . . .
H10B H 0.246151 0.566962 0.929038 0.099 Uiso 1 1 calc R U . . .
H10C H 0.163570 0.530056 0.906736 0.099 Uiso 1 1 calc R U . . .
C11 C 0.2569(8) 0.8936(7) 0.7716(7) 0.039(3) Uani 1 1 d . U . . .
C12 C 0.2469(7) 0.8874(6) 0.7019(7) 0.031(3) Uani 1 1 d . U . . .
C13 C 0.3179(7) 0.9296(7) 0.6506(6) 0.029(3) Uani 1 1 d . U . . .
C14 C 0.3722(7) 0.9624(6) 0.6924(8) 0.038(3) Uani 1 1 d . U . . .
C15 C 0.3343(9) 0.9393(7) 0.7665(7) 0.039(3) Uani 1 1 d . U . . .
C16 C 0.1928(9) 0.8662(8) 0.8401(7) 0.057(4) Uani 1 1 d . . . . .
H16A H 0.148928 0.906042 0.849569 0.085 Uiso 1 1 calc R U . . .
H16B H 0.223140 0.857049 0.880547 0.085 Uiso 1 1 calc R U . . .
H16C H 0.164050 0.817361 0.835126 0.085 Uiso 1 1 calc R U . . .
C17 C 0.1697(8) 0.8488(8) 0.6842(8) 0.054(4) Uani 1 1 d . . . . .
H17A H 0.157247 0.797759 0.714419 0.080 Uiso 1 1 calc R U . . .
H17B H 0.182465 0.841534 0.632885 0.080 Uiso 1 1 calc R U . . .
H17C H 0.118841 0.881772 0.693884 0.080 Uiso 1 1 calc R U . . .
C18 C 0.3276(8) 0.9520(7) 0.5715(7) 0.040(3) Uani 1 1 d . . . . .
H18A H 0.289549 0.918289 0.553072 0.060 Uiso 1 1 calc R U . . .
H18B H 0.388377 0.946048 0.547452 0.060 Uiso 1 1 calc R U . . .
H18C H 0.311459 1.006651 0.561572 0.060 Uiso 1 1 calc R U . . .
C19 C 0.4454(8) 1.0169(7) 0.6636(9) 0.055(4) Uani 1 1 d . . . . .
H19A H 0.429193 1.068951 0.676075 0.082 Uiso 1 1 calc R U . . .
H19B H 0.460947 1.019221 0.610674 0.082 Uiso 1 1 calc R U . . .
H19C H 0.495358 0.999328 0.684565 0.082 Uiso 1 1 calc R U . . .
C20 C 0.3631(11) 0.9717(8) 0.8276(8) 0.063(5) Uani 1 1 d . . . . .
H20A H 0.426885 0.975032 0.818061 0.094 Uiso 1 1 calc R U . . .
H20B H 0.341349 0.937275 0.873199 0.094 Uiso 1 1 calc R U . . .
H20C H 0.339689 1.024005 0.831427 0.094 Uiso 1 1 calc R U . . .
C21 C 0.5848(9) 0.8153(7) 0.8785(7) 0.040(3) Uani 1 1 d . U . . .
C22 C 0.6526(8) 0.7836(8) 0.8283(7) 0.039(3) Uani 1 1 d . U . . .
C23 C 0.6488(8) 0.7011(8) 0.8466(7) 0.039(3) Uani 1 1 d . U . . .
C24 C 0.5786(9) 0.6805(8) 0.9065(6) 0.037(3) Uani 1 1 d . U . . .
C25 C 0.5382(8) 0.7515(8) 0.9262(7) 0.039(3) Uani 1 1 d . U . . .
C26 C 0.5701(10) 0.8994(8) 0.8807(8) 0.061(4) Uani 1 1 d . . . . .
H26A H 0.614561 0.921476 0.902348 0.092 Uiso 1 1 calc R U . . .
H26B H 0.512158 0.906348 0.910016 0.092 Uiso 1 1 calc R U . . .
H26C H 0.573919 0.926148 0.831258 0.092 Uiso 1 1 calc R U . . .
C27 C 0.7186(9) 0.8312(9) 0.7704(8) 0.058(4) Uani 1 1 d . . . . .
H27A H 0.760818 0.855638 0.792772 0.087 Uiso 1 1 calc R U . . .
H27B H 0.689080 0.871945 0.743982 0.087 Uiso 1 1 calc R U . . .
H27C H 0.749092 0.797228 0.736581 0.087 Uiso 1 1 calc R U . . .
C28 C 0.7098(8) 0.6430(8) 0.8109(8) 0.051(4) Uani 1 1 d . . . . .
H28A H 0.755212 0.671212 0.772865 0.076 Uiso 1 1 calc R U . . .
H28B H 0.676764 0.607791 0.789386 0.076 Uiso 1 1 calc R U . . .
H28C H 0.736888 0.612536 0.847392 0.076 Uiso 1 1 calc R U . . .
C29 C 0.5530(10) 0.6003(8) 0.9457(8) 0.060(4) Uani 1 1 d . . . . .
H29A H 0.558573 0.562926 0.910571 0.090 Uiso 1 1 calc R U . . .
H29B H 0.492414 0.599844 0.972387 0.090 Uiso 1 1 calc R U . . .
H29C H 0.591215 0.585465 0.979855 0.090 Uiso 1 1 calc R U . . .
C30 C 0.4645(9) 0.7569(9) 0.9886(7) 0.059(4) Uani 1 1 d . . . . .
H30A H 0.474249 0.722112 1.031203 0.089 Uiso 1 1 calc R U . . .
H30B H 0.409907 0.741311 0.976150 0.089 Uiso 1 1 calc R U . . .
H30C H 0.460728 0.810873 0.999400 0.089 Uiso 1 1 calc R U . . .
C31 C 0.7153(7) 0.7279(7) 0.5420(6) 0.033(3) Uani 1 1 d . U . . .
C32 C 0.6499(7) 0.7282(6) 0.5014(6) 0.027(3) Uani 1 1 d . U . . .
C33 C 0.6156(7) 0.6495(7) 0.5100(6) 0.027(3) Uani 1 1 d . U . . .
C34 C 0.6662(7) 0.6002(6) 0.5537(6) 0.027(3) Uani 1 1 d . U . . .
C35 C 0.7262(7) 0.6483(8) 0.5740(6) 0.034(3) Uani 1 1 d . U . . .
C36 C 0.7725(8) 0.7959(8) 0.5454(7) 0.049(4) Uani 1 1 d . . . . .
H36A H 0.829498 0.792099 0.513385 0.074 Uiso 1 1 calc R U . . .
H36B H 0.780068 0.795627 0.595389 0.074 Uiso 1 1 calc R U . . .
H36C H 0.745458 0.844658 0.529714 0.074 Uiso 1 1 calc R U . . .
C37 C 0.6276(9) 0.7951(7) 0.4483(7) 0.055(4) Uani 1 1 d . . . . .
H37A H 0.639880 0.845041 0.463894 0.082 Uiso 1 1 calc R U . . .
H37B H 0.565606 0.791196 0.446910 0.082 Uiso 1 1 calc R U . . .
H37C H 0.662849 0.792293 0.399768 0.082 Uiso 1 1 calc R U . . .
C38 C 0.5465(7) 0.6230(8) 0.4749(6) 0.038(3) Uani 1 1 d . . . . .
H38A H 0.503613 0.664042 0.471935 0.057 Uiso 1 1 calc R U . . .
H38B H 0.517465 0.575338 0.503700 0.057 Uiso 1 1 calc R U . . .
H38C H 0.572715 0.612145 0.425902 0.057 Uiso 1 1 calc R U . . .
C39 C 0.6570(8) 0.5135(7) 0.5710(7) 0.040(3) Uani 1 1 d . . . . .
H39A H 0.700222 0.489451 0.536093 0.060 Uiso 1 1 calc R U . . .
H39B H 0.598259 0.496819 0.568001 0.060 Uiso 1 1 calc R U . . .
H39C H 0.666408 0.497311 0.620163 0.060 Uiso 1 1 calc R U . . .
C40 C 0.7953(8) 0.6232(10) 0.6142(8) 0.061(5) Uani 1 1 d . . . . .
H40A H 0.780356 0.570813 0.641128 0.092 Uiso 1 1 calc R U . . .
H40B H 0.800171 0.660050 0.648169 0.092 Uiso 1 1 calc R U . . .
H40C H 0.851039 0.621962 0.579754 0.092 Uiso 1 1 calc R U . . .
C81 C 0.5555(8) 0.8670(7) 0.5983(7) 0.038(3) Uani 1 1 d . . . . .
B1 B 0.3780(8) 0.7216(7) 0.6925(7) 0.025(3) Uani 1 1 d D U . . .
B2 B 0.3331(8) 0.7287(8) 0.7857(7) 0.026(3) Uani 1 1 d . . . . .
H2 H 0.262075 0.728286 0.811490 0.031 Uiso 1 1 calc R U . . .
B3 B 0.4096(8) 0.7849(8) 0.8155(7) 0.027(3) Uani 1 1 d . . . . .
H3 H 0.387086 0.819810 0.861080 0.032 Uiso 1 1 calc R U . . .
B4 B 0.4995(8) 0.8189(7) 0.7385(7) 0.029(3) Uani 1 1 d . . . . .
H4 H 0.534813 0.876421 0.733506 0.035 Uiso 1 1 calc R U . . .
B5 B 0.5503(8) 0.7262(7) 0.7138(7) 0.025(3) Uani 1 1 d . . . . .
H5 H 0.620907 0.733546 0.715177 0.030 Uiso 1 1 calc R U . . .
B6 B 0.4953(8) 0.6445(8) 0.7743(6) 0.025(3) Uani 1 1 d . . . . .
H6 H 0.527903 0.589652 0.791896 0.030 Uiso 1 1 calc R U . . .
B7 B 0.4087(8) 0.6828(7) 0.8357(7) 0.024(3) Uani 1 1 d . . . . .
H7 H 0.385499 0.654058 0.892921 0.029 Uiso 1 1 calc R U . . .
B8 B 0.4787(8) 0.6697(7) 0.6856(6) 0.020(3) Uani 1 1 d D U . . .
B9 B 0.3666(10) 0.7834(8) 0.6173(8) 0.037(4) Uani 1 1 d D U . . .
O1 O 0.6015(6) 0.9224(5) 0.5744(5) 0.050(2) Uani 1 1 d . . . . .
Fe1 Fe 0.49020(9) 0.78633(8) 0.63650(8) 0.0176(3) Uani 1 1 d D U . . .
Co1 Co 0.37353(9) 0.62036(8) 0.75722(8) 0.0226(3) Uani 1 1 d . . . . .
Co2 Co 0.36753(10) 0.83771(9) 0.71703(8) 0.0284(4) Uani 1 1 d D . . . .
Co3 Co 0.53239(10) 0.73960(9) 0.81872(8) 0.0259(4) Uani 1 1 d . . . . .
Co4 Co 0.60208(9) 0.68565(8) 0.61004(8) 0.0224(3) Uani 1 1 d D U . . .
H8 H 0.509(6) 0.633(5) 0.638(4) 0.03(2) Uiso 1 1 d D U . . .
H1 H 0.336(5) 0.715(6) 0.646(4) 0.02(2) Uiso 1 1 d D U . . .
H9 H 0.319(4) 0.804(5) 0.579(3) 0.04(2) Uiso 1 1 d D U . . .
H9D H 0.438(3) 0.785(6) 0.568(3) 0.02(2) Uiso 1 1 d D U . . .
C41 C 0.8786(7) 0.1489(6) 0.5129(6) 0.025(2) Uani 1 1 d . U . . .
C42 C 0.8493(7) 0.2266(6) 0.5030(6) 0.028(3) Uani 1 1 d . U . . .
C43 C 0.7638(8) 0.2268(7) 0.5439(6) 0.033(3) Uani 1 1 d . U . . .
C44 C 0.7372(7) 0.1481(7) 0.5753(6) 0.030(3) Uani 1 1 d . U . . .
C45 C 0.8081(7) 0.0991(6) 0.5566(6) 0.024(2) Uani 1 1 d . U . . .
C46 C 0.9670(8) 0.1213(7) 0.4773(6) 0.036(3) Uani 1 1 d . . . . .
H46A H 0.966586 0.114370 0.427003 0.054 Uiso 1 1 calc R U . . .
H46B H 0.979216 0.071318 0.504059 0.054 Uiso 1 1 calc R U . . .
H46C H 1.012194 0.160224 0.477835 0.054 Uiso 1 1 calc R U . . .
C47 C 0.8998(10) 0.2931(7) 0.4509(7) 0.049(4) Uani 1 1 d . . . . .
H47A H 0.962037 0.289051 0.451615 0.073 Uiso 1 1 calc R U . . .
H47B H 0.878989 0.343147 0.465753 0.073 Uiso 1 1 calc R U . . .
H47C H 0.891167 0.290031 0.401737 0.073 Uiso 1 1 calc R U . . .
C48 C 0.7048(8) 0.2959(8) 0.5492(8) 0.052(4) Uani 1 1 d . . . . .
H48A H 0.740233 0.344468 0.538351 0.078 Uiso 1 1 calc R U . . .
H48B H 0.669081 0.292222 0.598389 0.078 Uiso 1 1 calc R U . . .
H48C H 0.666730 0.296000 0.514189 0.078 Uiso 1 1 calc R U . . .
C49 C 0.6479(8) 0.1208(9) 0.6171(7) 0.055(4) Uani 1 1 d . . . . .
H49A H 0.613015 0.105714 0.583597 0.082 Uiso 1 1 calc R U . . .
H49B H 0.619534 0.163251 0.641777 0.082 Uiso 1 1 calc R U . . .
H49C H 0.652948 0.075734 0.653143 0.082 Uiso 1 1 calc R U . . .
C50 C 0.8095(8) 0.0120(6) 0.5729(6) 0.037(3) Uani 1 1 d . . . . .
H50A H 0.773093 -0.005199 0.620969 0.055 Uiso 1 1 calc R U . . .
H50B H 0.869578 -0.004190 0.572440 0.055 Uiso 1 1 calc R U . . .
H50C H 0.786953 -0.011684 0.536156 0.055 Uiso 1 1 calc R U . . .
C51 C 0.7219(8) 0.1837(7) 0.9108(6) 0.039(3) Uani 1 1 d . U . . .
C52 C 0.6805(8) 0.2000(8) 0.8506(7) 0.038(3) Uani 1 1 d . U . . .
C53 C 0.6845(8) 0.2837(7) 0.8305(7) 0.039(3) Uani 1 1 d . U . . .
C54 C 0.7255(8) 0.3166(8) 0.8780(7) 0.043(3) Uani 1 1 d . U . . .
C55 C 0.7519(8) 0.2568(7) 0.9279(6) 0.040(3) Uani 1 1 d . U . . .
C56 C 0.7303(9) 0.1052(8) 0.9519(7) 0.052(4) Uani 1 1 d . . . . .
H56A H 0.683227 0.096506 0.995169 0.077 Uiso 1 1 calc R U . . .
H56B H 0.786722 0.102618 0.966627 0.077 Uiso 1 1 calc R U . . .
H56C H 0.726480 0.064755 0.920991 0.077 Uiso 1 1 calc R U . . .
C57 C 0.6383(8) 0.1400(8) 0.8183(7) 0.048(4) Uani 1 1 d . . . . .
H57A H 0.681323 0.101553 0.801947 0.071 Uiso 1 1 calc R U . . .
H57B H 0.615761 0.165498 0.776810 0.071 Uiso 1 1 calc R U . . .
H57C H 0.590174 0.113599 0.854852 0.071 Uiso 1 1 calc R U . . .
C58 C 0.6441(9) 0.3273(9) 0.7717(8) 0.057(4) Uani 1 1 d . . . . .
H58A H 0.596921 0.359297 0.793646 0.085 Uiso 1 1 calc R U . . .
H58B H 0.620497 0.289733 0.745776 0.085 Uiso 1 1 calc R U . . .
H58C H 0.688511 0.361094 0.737548 0.085 Uiso 1 1 calc R U . . .
C59 C 0.7353(9) 0.4033(8) 0.8801(8) 0.058(4) Uani 1 1 d . . . . .
H59A H 0.745030 0.431270 0.830544 0.087 Uiso 1 1 calc R U . . .
H59B H 0.785037 0.413117 0.901839 0.087 Uiso 1 1 calc R U . . .
H59C H 0.682054 0.421761 0.909159 0.087 Uiso 1 1 calc R U . . .
C60 C 0.7946(9) 0.2653(8) 0.9894(6) 0.049(4) Uani 1 1 d . . . . .
H60A H 0.830310 0.313717 0.978337 0.073 Uiso 1 1 calc R U . . .
H60B H 0.831749 0.220581 0.996956 0.073 Uiso 1 1 calc R U . . .
H60C H 0.749945 0.267316 1.033513 0.073 Uiso 1 1 calc R U . . .
C61 C 1.1081(8) 0.3938(7) 0.7735(7) 0.038(3) Uani 1 1 d . U . . .
C62 C 1.0340(8) 0.4386(7) 0.7692(7) 0.040(3) Uani 1 1 d . U . . .
C63 C 1.0321(8) 0.4616(6) 0.6949(8) 0.038(3) Uani 1 1 d . U . . .
C64 C 1.1060(7) 0.4301(7) 0.6536(6) 0.027(3) Uani 1 1 d . U . . .
C65 C 1.1526(8) 0.3875(7) 0.7045(7) 0.037(3) Uani 1 1 d . U . . .
C66 C 1.1411(11) 0.3647(9) 0.8417(8) 0.064(5) Uani 1 1 d . . . . .
H66A H 1.174847 0.406736 0.854249 0.096 Uiso 1 1 calc R U . . .
H66B H 1.178352 0.319891 0.833282 0.096 Uiso 1 1 calc R U . . .
H66C H 1.091473 0.348858 0.881770 0.096 Uiso 1 1 calc R U . . .
C67 C 0.9742(10) 0.4707(8) 0.8313(8) 0.064(5) Uani 1 1 d . . . . .
H67A H 0.969255 0.433502 0.875774 0.096 Uiso 1 1 calc R U . . .
H67B H 0.916415 0.478546 0.819782 0.096 Uiso 1 1 calc R U . . .
H67C H 0.998335 0.520731 0.838347 0.096 Uiso 1 1 calc R U . . .
C68 C 0.9684(9) 0.5170(8) 0.6682(8) 0.056(4) Uani 1 1 d . . . . .
H68A H 0.973560 0.567353 0.685544 0.085 Uiso 1 1 calc R U . . .
H68B H 0.909057 0.495242 0.686513 0.085 Uiso 1 1 calc R U . . .
H68C H 0.981004 0.524500 0.614976 0.085 Uiso 1 1 calc R U . . .
C69 C 1.1351(9) 0.4533(7) 0.5734(7) 0.046(3) Uani 1 1 d . . . . .
H69A H 1.086276 0.446697 0.549622 0.069 Uiso 1 1 calc R U . . .
H69B H 1.182962 0.420201 0.554549 0.069 Uiso 1 1 calc R U . . .
H69C H 1.155277 0.508146 0.563565 0.069 Uiso 1 1 calc R U . . .
C70 C 1.2399(8) 0.3495(8) 0.6848(8) 0.050(4) Uani 1 1 d . . . . .
H70A H 1.285888 0.382512 0.694375 0.075 Uiso 1 1 calc R U . . .
H70B H 1.251900 0.343371 0.633139 0.075 Uiso 1 1 calc R U . . .
H70C H 1.238461 0.298021 0.713996 0.075 Uiso 1 1 calc R U . . .
C71 C 1.0771(7) 0.0412(6) 0.7064(6) 0.023(2) Uani 1 1 d . U . . .
C72 C 0.9976(7) 0.0023(6) 0.7479(6) 0.026(3) Uani 1 1 d . U . . .
C73 C 0.9939(8) 0.0097(6) 0.8226(6) 0.034(3) Uani 1 1 d . U . . .
C74 C 1.0691(8) 0.0519(7) 0.8281(6) 0.032(3) Uani 1 1 d . U . . .
C75 C 1.1207(7) 0.0717(7) 0.7561(7) 0.032(3) Uani 1 1 d . U . . .
C76 C 1.1082(8) 0.0463(7) 0.6266(6) 0.036(3) Uani 1 1 d . . . . .
H76A H 1.145302 0.093400 0.608663 0.053 Uiso 1 1 calc R U . . .
H76B H 1.058067 0.048731 0.603007 0.053 Uiso 1 1 calc R U . . .
H76C H 1.141891 0.000003 0.615342 0.053 Uiso 1 1 calc R U . . .
C77 C 0.9308(8) -0.0401(7) 0.7178(7) 0.040(3) Uani 1 1 d . . . . .
H77A H 0.938037 -0.022326 0.665692 0.060 Uiso 1 1 calc R U . . .
H77B H 0.871933 -0.028664 0.742706 0.060 Uiso 1 1 calc R U . . .
H77C H 0.939569 -0.096550 0.725714 0.060 Uiso 1 1 calc R U . . .
C78 C 0.9223(10) -0.0242(8) 0.8847(7) 0.062(5) Uani 1 1 d . . . . .
H78A H 0.937042 -0.077296 0.903047 0.093 Uiso 1 1 calc R U . . .
H78B H 0.867408 -0.025996 0.867889 0.093 Uiso 1 1 calc R U . . .
H78C H 0.915910 0.008516 0.923728 0.093 Uiso 1 1 calc R U . . .
C79 C 1.0924(10) 0.0696(8) 0.8973(7) 0.056(4) Uani 1 1 d . . . . .
H79A H 1.147707 0.099602 0.885896 0.083 Uiso 1 1 calc R U . . .
H79B H 1.046364 0.100209 0.922868 0.083 Uiso 1 1 calc R U . . .
H79C H 1.098320 0.020516 0.928237 0.083 Uiso 1 1 calc R U . . .
C80 C 1.2088(7) 0.1128(7) 0.7358(7) 0.044(3) Uani 1 1 d . . . . .
H80A H 1.254490 0.074117 0.729237 0.066 Uiso 1 1 calc R U . . .
H80B H 1.216463 0.142677 0.774594 0.066 Uiso 1 1 calc R U . . .
H80C H 1.212747 0.148504 0.690505 0.066 Uiso 1 1 calc R U . . .
C82 C 0.8968(8) 0.3671(7) 0.5994(7) 0.033(3) Uani 1 1 d . . . . .
B10 B 0.8673(8) 0.1451(8) 0.7784(7) 0.028(3) Uani 1 1 d . . . . .
H10 H 0.825529 0.090572 0.796561 0.034 Uiso 1 1 calc R U . . .
B11 B 0.9290(8) 0.1702(7) 0.6893(7) 0.022(3) Uani 1 1 d . . . . .
H11 H 0.947573 0.117748 0.661349 0.027 Uiso 1 1 calc R U . . .
B12 B 1.0274(8) 0.2219(7) 0.6951(6) 0.021(3) Uani 1 1 d D U . . .
B13 B 1.0248(9) 0.2285(8) 0.7897(7) 0.032(3) Uani 1 1 d . . . . .
H13 H 1.082300 0.227351 0.816340 0.038 Uiso 1 1 calc R U . . .
B14 B 0.9234(9) 0.1840(8) 0.8392(7) 0.029(3) Uani 1 1 d . . . . .
H14 H 0.917353 0.155830 0.896761 0.035 Uiso 1 1 calc R U . . .
B15 B 0.9334(9) 0.2868(7) 0.8176(7) 0.030(3) Uani 1 1 d . . . . .
H15 H 0.933144 0.322919 0.862413 0.036 Uiso 1 1 calc R U . . .
B16 B 0.8828(9) 0.3195(7) 0.7401(7) 0.027(3) Uani 1 1 d . . . . .
H16 H 0.850525 0.377293 0.734285 0.032 Uiso 1 1 calc R U . . .
B17 B 0.8428(8) 0.2261(7) 0.7164(7) 0.021(3) Uani 1 1 d D U . . .
B18 B 1.0752(10) 0.2816(8) 0.6197(8) 0.033(3) Uani 1 1 d D U . . .
O2 O 0.8643(6) 0.4228(5) 0.5748(5) 0.050(2) Uani 1 1 d . . . . .
Fe2 Fe 0.94206(9) 0.28575(8) 0.63879(8) 0.0167(3) Uani 1 1 d D U . . .
Co5 Co 0.84392(9) 0.18483(8) 0.61262(8) 0.0212(3) Uani 1 1 d D U . . .
Co6 Co 0.81020(10) 0.24085(9) 0.82102(8) 0.0286(4) Uani 1 1 d . . . . .
Co7 Co 1.02454(10) 0.33738(9) 0.71909(8) 0.0287(4) Uani 1 1 d . . . . .
Co8 Co 0.99882(9) 0.12045(8) 0.76119(8) 0.0225(3) Uani 1 1 d . . . . .
H17 H 0.791(6) 0.206(6) 0.686(5) 0.04(2) Uiso 1 1 d D U . . .
H12 H 1.095(4) 0.212(5) 0.652(4) 0.01(2) Uiso 1 1 d D U . . .
H18 H 1.148(4) 0.290(6) 0.579(5) 0.04(2) Uiso 1 1 d D U . . .
H18D H 1.028(3) 0.283(5) 0.572(2) 0.002(17) Uiso 1 1 d D U . . .


_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
C1 C5 1.426(16) . ?
C1 C2 1.432(15) . ?
C1 C7 1.500(15) . ?
C1 Co1 2.093(11) . ?
C2 C3 1.422(15) . ?
C2 C8 1.487(15) . ?
C2 Co1 2.080(10) . ?
C3 C4 1.406(16) . ?
C3 C9 1.481(16) . ?
C3 Co1 2.080(11) . ?
C4 C5 1.413(18) . ?
C4 C10 1.508(16) . ?
C4 Co1 2.099(11) . ?
C5 C6 1.519(17) . ?
C5 Co1 2.070(11) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.383(17) . ?
C11 C15 1.427(18) . ?
C11 C16 1.491(16) . ?
C11 Co2 2.131(11) . ?
C12 C13 1.444(16) . ?
C12 C17 1.501(16) . ?
C12 Co2 2.133(11) . ?
C13 C14 1.441(17) . ?
C13 C18 1.476(15) . ?
C13 Co2 2.140(11) . ?
C14 C15 1.413(17) . ?
C14 C19 1.452(16) . ?
C14 Co2 2.138(11) . ?
C15 C20 1.502(17) . ?
C15 Co2 2.114(12) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C25 1.426(17) . ?
C21 C22 1.436(17) . ?
C21 C26 1.473(17) . ?
C21 Co3 2.111(11) . ?
C22 C23 1.418(17) . ?
C22 C27 1.499(17) . ?
C22 Co3 2.084(12) . ?
C23 C24 1.418(17) . ?
C23 C28 1.515(17) . ?
C23 Co3 2.087(12) . ?
C24 C25 1.439(17) . ?
C24 C29 1.494(17) . ?
C24 Co3 2.094(12) . ?
C25 C30 1.488(17) . ?
C25 Co3 2.100(12) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.403(16) . ?
C31 C35 1.451(17) . ?
C31 C36 1.494(15) . ?
C31 Co4 2.040(10) . ?
C32 C33 1.438(15) . ?
C32 C37 1.519(17) . ?
C32 Co4 2.078(11) . ?
C33 C34 1.457(15) . ?
C33 C38 1.487(15) . ?
C33 Co4 2.049(11) . ?
C34 C35 1.400(16) . ?
C34 C39 1.488(15) . ?
C34 Co4 2.077(10) . ?
C35 C40 1.481(16) . ?
C35 Co4 2.059(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C81 O1 1.180(14) . ?
C81 Fe1 1.715(13) . ?
B1 B9 1.71(2) . ?
B1 B2 1.786(18) . ?
B1 B8 1.805(17) . ?
B1 Co1 1.990(13) . ?
B1 Fe1 2.095(13) . ?
B1 Co2 2.117(13) . ?
B1 H1 1.22(5) . ?
B2 B3 1.769(18) . ?
B2 B7 1.788(17) . ?
B2 Co1 2.079(13) . ?
B2 Co2 2.142(13) . ?
B2 H2 1.1200 . ?
B3 B7 1.752(18) . ?
B3 B4 1.842(18) . ?
B3 Co3 2.086(13) . ?
B3 Co2 2.193(13) . ?
B3 H3 1.1200 . ?
B4 B5 1.860(18) . ?
B4 Co3 2.056(14) . ?
B4 Fe1 2.122(13) . ?
B4 Co2 2.205(14) . ?
B4 H4 1.1200 . ?
B5 B8 1.700(17) . ?
B5 B6 1.793(18) . ?
B5 Co3 1.999(12) . ?
B5 Fe1 2.069(13) . ?
B5 Co4 2.180(12) . ?
B5 H5 1.1200 . ?
B6 B8 1.755(17) . ?
B6 B7 1.787(18) . ?
B6 Co1 2.053(13) . ?
B6 Co3 2.079(12) . ?
B6 H6 1.1200 . ?
B7 Co1 2.112(12) . ?
B7 Co3 2.118(12) . ?
B7 H7 1.1200 . ?
B8 Co1 2.016(12) . ?
B8 Fe1 2.094(12) . ?
B8 Co4 2.152(12) . ?
B8 H8 1.19(5) . ?
B9 Fe1 2.047(15) . ?
B9 Co2 2.227(15) . ?
B9 H1 1.27(10) . ?
B9 H9 1.17(3) . ?
B9 H9D 1.31(4) . ?
Fe1 Co2 2.445(2) . ?
Fe1 Co4 2.493(2) . ?
Fe1 H41 1.72(7) . ?
Fe1 H9D 1.68(5) . ?
Co4 H41 1.62(8) . ?
Co4 H8 1.67(10) . ?
C41 C42 1.418(14) . ?
C41 C45 1.445(15) . ?
C41 C46 1.519(15) . ?
C41 Co5 2.039(10) . ?
C42 C43 1.405(16) . ?
C42 C47 1.516(16) . ?
C42 Co5 2.094(11) . ?
C43 C44 1.433(16) . ?
C43 C48 1.512(15) . ?
C43 Co5 2.055(11) . ?
C44 C45 1.412(15) . ?
C44 C49 1.502(15) . ?
C44 Co5 2.077(10) . ?
C45 C50 1.494(15) . ?
C45 Co5 2.077(10) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.424(18) . ?
C51 C55 1.448(17) . ?
C51 C56 1.491(17) . ?
C51 Co6 2.092(12) . ?
C52 C53 1.443(17) . ?
C52 C57 1.491(17) . ?
C52 Co6 2.092(12) . ?
C53 C54 1.388(18) . ?
C53 C58 1.510(18) . ?
C53 Co6 2.085(12) . ?
C54 C55 1.426(18) . ?
C54 C59 1.512(17) . ?
C54 Co6 2.104(12) . ?
C55 C60 1.483(17) . ?
C55 Co6 2.104(11) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C65 1.370(17) . ?
C61 C62 1.405(18) . ?
C61 C66 1.517(18) . ?
C61 Co7 2.135(12) . ?
C62 C63 1.420(17) . ?
C62 C67 1.515(16) . ?
C62 Co7 2.119(11) . ?
C63 C64 1.413(16) . ?
C63 C68 1.498(17) . ?
C63 Co7 2.130(11) . ?
C64 C65 1.452(16) . ?
C64 C69 1.496(16) . ?
C64 Co7 2.134(11) . ?
C65 C70 1.517(16) . ?
C65 Co7 2.136(12) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C75 1.427(15) . ?
C71 C72 1.443(14) . ?
C71 C76 1.486(15) . ?
C71 Co8 2.078(10) . ?
C72 C73 1.431(15) . ?
C72 C77 1.523(15) . ?
C72 Co8 2.089(11) . ?
C73 C74 1.415(16) . ?
C73 C78 1.506(16) . ?
C73 Co8 2.094(11) . ?
C74 C75 1.436(16) . ?
C74 C79 1.504(16) . ?
C74 Co8 2.097(11) . ?
C75 C80 1.506(16) . ?
C75 Co8 2.077(11) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C82 O2 1.174(13) . ?
C82 Fe2 1.723(13) . ?
B10 B11 1.766(17) . ?
B10 B14 1.785(19) . ?
B10 B17 1.798(18) . ?
B10 Co6 2.061(12) . ?
B10 Co8 2.074(13) . ?
B10 H10 1.1200 . ?
B11 B17 1.693(16) . ?
B11 B12 1.813(16) . ?
B11 Co8 2.024(13) . ?
B11 Fe2 2.085(12) . ?
B11 Co5 2.160(13) . ?
B11 H11 1.1200 . ?
B12 B18 1.685(19) . ?
B12 B13 1.808(17) . ?
B12 Co8 2.006(12) . ?
B12 Fe2 2.102(13) . ?
B12 Co7 2.103(12) . ?
B12 H12 1.22(5) . ?
B13 B15 1.782(19) . ?
B13 B14 1.789(19) . ?
B13 Co8 2.075(13) . ?
B13 Co7 2.157(14) . ?
B13 H13 1.1200 . ?
B14 B15 1.766(18) . ?
B14 Co6 2.095(14) . ?
B14 Co8 2.126(12) . ?
B14 H14 1.1200 . ?
B15 B16 1.837(19) . ?
B15 Co6 2.073(14) . ?
B15 Co7 2.185(13) . ?
B15 H15 1.1200 . ?
B16 B17 1.873(17) . ?
B16 Co6 2.056(13) . ?
B16 Fe2 2.115(12) . ?
B16 Co7 2.190(13) . ?
B16 H16 1.1200 . ?
B17 Co6 2.000(12) . ?
B17 Fe2 2.075(12) . ?
B17 Co5 2.181(12) . ?
B17 H17 1.17(5) . ?
B18 Fe2 2.047(15) . ?
B18 Co7 2.236(14) . ?
B18 H12 1.33(9) . ?
B18 H18 1.24(5) . ?
B18 H18D 1.29(4) . ?
Fe2 Co7 2.444(2) . ?
Fe2 Co5 2.490(2) . ?
Fe2 H25 1.68(7) . ?
Fe2 H18D 1.66(5) . ?
Co5 H25 1.63(8) . ?
Co5 H17 1.56(10) . ?

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
C5 C1 C2 107.0(10) . . ?
C5 C1 C7 126.3(11) . . ?
C2 C1 C7 126.7(11) . . ?
C5 C1 Co1 69.1(6) . . ?
C2 C1 Co1 69.5(6) . . ?
C7 C1 Co1 125.8(8) . . ?
C3 C2 C1 108.0(10) . . ?
C3 C2 C8 125.8(11) . . ?
C1 C2 C8 126.2(10) . . ?
C3 C2 Co1 70.0(6) . . ?
C1 C2 Co1 70.4(6) . . ?
C8 C2 Co1 126.4(7) . . ?
C4 C3 C2 108.1(10) . . ?
C4 C3 C9 125.8(11) . . ?
C2 C3 C9 125.9(12) . . ?
C4 C3 Co1 71.1(7) . . ?
C2 C3 Co1 70.0(6) . . ?
C9 C3 Co1 128.6(8) . . ?
C3 C4 C5 108.6(10) . . ?
C3 C4 C10 126.6(13) . . ?
C5 C4 C10 124.8(13) . . ?
C3 C4 Co1 69.6(6) . . ?
C5 C4 Co1 69.1(6) . . ?
C10 C4 Co1 126.6(8) . . ?
C4 C5 C1 108.3(10) . . ?
C4 C5 C6 127.3(12) . . ?
C1 C5 C6 124.3(13) . . ?
C4 C5 Co1 71.3(7) . . ?
C1 C5 Co1 70.8(6) . . ?
C6 C5 Co1 127.0(8) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C15 108.0(11) . . ?
C12 C11 C16 126.1(13) . . ?
C15 C11 C16 125.4(13) . . ?
C12 C11 Co2 71.1(7) . . ?
C15 C11 Co2 69.7(7) . . ?
C16 C11 Co2 130.4(9) . . ?
C11 C12 C13 109.1(10) . . ?
C11 C12 C17 124.3(12) . . ?
C13 C12 C17 126.4(12) . . ?
C11 C12 Co2 71.0(7) . . ?
C13 C12 Co2 70.5(6) . . ?
C17 C12 Co2 128.8(8) . . ?
C14 C13 C12 106.8(10) . . ?
C14 C13 C18 122.9(11) . . ?
C12 C13 C18 129.2(11) . . ?
C14 C13 Co2 70.2(6) . . ?
C12 C13 Co2 70.0(7) . . ?
C18 C13 Co2 134.3(8) . . ?
C15 C14 C13 107.1(10) . . ?
C15 C14 C19 126.6(13) . . ?
C13 C14 C19 125.9(13) . . ?
C15 C14 Co2 69.7(7) . . ?
C13 C14 Co2 70.4(6) . . ?
C19 C14 Co2 130.9(9) . . ?
C14 C15 C11 109.0(11) . . ?
C14 C15 C20 123.6(13) . . ?
C11 C15 C20 126.4(13) . . ?
C14 C15 Co2 71.5(6) . . ?
C11 C15 Co2 71.0(7) . . ?
C20 C15 Co2 132.5(9) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C21 C22 107.7(11) . . ?
C25 C21 C26 127.3(13) . . ?
C22 C21 C26 125.0(13) . . ?
C25 C21 Co3 69.8(7) . . ?
C22 C21 Co3 69.0(7) . . ?
C26 C21 Co3 128.6(10) . . ?
C23 C22 C21 108.0(11) . . ?
C23 C22 C27 127.0(13) . . ?
C21 C22 C27 124.9(13) . . ?
C23 C22 Co3 70.2(7) . . ?
C21 C22 Co3 71.0(7) . . ?
C27 C22 Co3 127.4(9) . . ?
C24 C23 C22 108.7(11) . . ?
C24 C23 C28 124.3(13) . . ?
C22 C23 C28 127.0(12) . . ?
C24 C23 Co3 70.4(7) . . ?
C22 C23 Co3 70.0(7) . . ?
C28 C23 Co3 126.7(9) . . ?
C23 C24 C25 107.8(11) . . ?
C23 C24 C29 127.0(13) . . ?
C25 C24 C29 125.1(13) . . ?
C23 C24 Co3 69.9(7) . . ?
C25 C24 Co3 70.2(7) . . ?
C29 C24 Co3 128.0(9) . . ?
C21 C25 C24 107.9(11) . . ?
C21 C25 C30 126.4(13) . . ?
C24 C25 C30 125.6(13) . . ?
C21 C25 Co3 70.6(7) . . ?
C24 C25 Co3 69.7(7) . . ?
C30 C25 Co3 128.1(9) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C35 108.9(10) . . ?
C32 C31 C36 126.3(12) . . ?
C35 C31 C36 124.4(12) . . ?
C32 C31 Co4 71.6(6) . . ?
C35 C31 Co4 70.0(6) . . ?
C36 C31 Co4 129.9(8) . . ?
C31 C32 C33 107.7(10) . . ?
C31 C32 C37 127.2(11) . . ?
C33 C32 C37 124.5(11) . . ?
C31 C32 Co4 68.6(6) . . ?
C33 C32 Co4 68.5(6) . . ?
C37 C32 Co4 135.3(8) . . ?
C32 C33 C34 107.5(10) . . ?
C32 C33 C38 125.7(11) . . ?
C34 C33 C38 126.6(11) . . ?
C32 C33 Co4 70.7(6) . . ?
C34 C33 Co4 70.4(6) . . ?
C38 C33 Co4 128.4(8) . . ?
C35 C34 C33 108.0(10) . . ?
C35 C34 C39 126.6(11) . . ?
C33 C34 C39 125.4(11) . . ?
C35 C34 Co4 69.5(6) . . ?
C33 C34 Co4 68.3(6) . . ?
C39 C34 Co4 129.3(8) . . ?
C34 C35 C31 107.8(10) . . ?
C34 C35 C40 127.0(12) . . ?
C31 C35 C40 124.9(12) . . ?
C34 C35 Co4 70.9(6) . . ?
C31 C35 Co4 68.5(6) . . ?
C40 C35 Co4 130.7(9) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O1 C81 Fe1 177.6(12) . . ?
B9 B1 B2 128.6(10) . . ?
B9 B1 B8 116.2(10) . . ?
B2 B1 B8 109.5(9) . . ?
B9 B1 Co1 156.9(9) . . ?
B2 B1 Co1 66.6(6) . . ?
B8 B1 Co1 64.0(6) . . ?
B9 B1 Fe1 64.2(7) . . ?
B2 B1 Fe1 121.3(8) . . ?
B8 B1 Fe1 64.5(6) . . ?
Co1 B1 Fe1 126.7(6) . . ?
B9 B1 Co2 70.3(7) . . ?
B2 B1 Co2 65.9(6) . . ?
B8 B1 Co2 122.5(8) . . ?
Co1 B1 Co2 130.7(7) . . ?
Fe1 B1 Co2 71.0(4) . . ?
B9 B1 H1 48(5) . . ?
B2 B1 H1 126(4) . . ?
B8 B1 H1 116(5) . . ?
Co1 B1 H1 110(5) . . ?
Fe1 B1 H1 104(5) . . ?
Co2 B1 H1 108(5) . . ?
B3 B2 B1 106.0(9) . . ?
B3 B2 B7 59.0(7) . . ?
B1 B2 B7 105.8(9) . . ?
B3 B2 Co1 116.4(8) . . ?
B1 B2 Co1 61.4(6) . . ?
B7 B2 Co1 65.7(6) . . ?
B3 B2 Co2 67.5(6) . . ?
B1 B2 Co2 64.5(6) . . ?
B7 B2 Co2 120.1(8) . . ?
Co1 B2 Co2 124.3(6) . . ?
B3 B2 H2 120.7 . . ?
B1 B2 H2 126.2 . . ?
B7 B2 H2 119.9 . . ?
Co1 B2 H2 112.5 . . ?
Co2 B2 H2 108.9 . . ?
B7 B3 B2 61.0(7) . . ?
B7 B3 B4 110.4(9) . . ?
B2 B3 B4 109.6(9) . . ?
B7 B3 Co3 66.3(6) . . ?
B2 B3 Co3 118.8(8) . . ?
B4 B3 Co3 62.7(6) . . ?
B7 B3 Co2 119.2(8) . . ?
B2 B3 Co2 64.4(6) . . ?
B4 B3 Co2 65.6(6) . . ?
Co3 B3 Co2 125.2(6) . . ?
B7 B3 H3 118.3 . . ?
B2 B3 H3 119.7 . . ?
B4 B3 H3 122.4 . . ?
Co3 B3 H3 111.2 . . ?
Co2 B3 H3 110.6 . . ?
B3 B4 B5 102.9(8) . . ?
B3 B4 Co3 64.4(6) . . ?
B5 B4 Co3 61.2(6) . . ?
B3 B4 Fe1 116.4(7) . . ?
B5 B4 Fe1 62.2(5) . . ?
Co3 B4 Fe1 121.3(6) . . ?
B3 B4 Co2 64.9(6) . . ?
B5 B4 Co2 115.6(7) . . ?
Co3 B4 Co2 126.2(6) . . ?
Fe1 B4 Co2 68.8(4) . . ?
B3 B4 H4 122.4 . . ?
B5 B4 H4 125.7 . . ?
Co3 B4 H4 111.2 . . ?
Fe1 B4 H4 112.9 . . ?
Co2 B4 H4 110.1 . . ?
B8 B5 B6 60.3(7) . . ?
B8 B5 B4 110.7(9) . . ?
B6 B5 B4 110.1(9) . . ?
B8 B5 Co3 119.7(8) . . ?
B6 B5 Co3 66.2(6) . . ?
B4 B5 Co3 64.2(6) . . ?
B8 B5 Fe1 66.7(6) . . ?
B6 B5 Fe1 120.1(8) . . ?
B4 B5 Fe1 65.1(6) . . ?
Co3 B5 Fe1 127.1(6) . . ?
B8 B5 Co4 66.0(6) . . ?
B6 B5 Co4 107.5(7) . . ?
B4 B5 Co4 132.8(8) . . ?
Co3 B5 Co4 161.1(7) . . ?
Fe1 B5 Co4 71.8(4) . . ?
B8 B5 H5 143.0 . . ?
B6 B5 H5 114.6 . . ?
B4 B5 H5 105.3 . . ?
Co3 B5 H5 83.5 . . ?
Fe1 B5 H5 124.4 . . ?
Co4 B5 H5 83.4 . . ?
B8 B6 B7 108.6(9) . . ?
B8 B6 B5 57.3(7) . . ?
B7 B6 B5 106.9(9) . . ?
B8 B6 Co1 63.4(6) . . ?
B7 B6 Co1 66.3(6) . . ?
B5 B6 Co1 113.5(8) . . ?
B8 B6 Co3 113.1(8) . . ?
B7 B6 Co3 65.9(6) . . ?
B5 B6 Co3 61.7(6) . . ?
Co1 B6 Co3 126.9(7) . . ?
B8 B6 H6 122.9 . . ?
B7 B6 H6 120.6 . . ?
B5 B6 H6 124.3 . . ?
Co1 B6 H6 111.2 . . ?
Co3 B6 H6 112.2 . . ?
B3 B7 B6 109.6(9) . . ?
B3 B7 B2 60.0(7) . . ?
B6 B7 B2 109.1(9) . . ?
B3 B7 Co1 115.5(8) . . ?
B6 B7 Co1 62.9(6) . . ?
B2 B7 Co1 63.8(6) . . ?
B3 B7 Co3 64.4(6) . . ?
B6 B7 Co3 63.7(6) . . ?
B2 B7 Co3 116.3(8) . . ?
Co1 B7 Co3 121.8(6) . . ?
B3 B7 H7 120.1 . . ?
B6 B7 H7 122.1 . . ?
B2 B7 H7 120.2 . . ?
Co1 B7 H7 113.8 . . ?
Co3 B7 H7 112.9 . . ?
B5 B8 B6 62.5(7) . . ?
B5 B8 B1 106.8(8) . . ?
B6 B8 B1 106.9(8) . . ?
B5 B8 Co1 119.8(8) . . ?
B6 B8 Co1 65.6(6) . . ?
B1 B8 Co1 62.5(6) . . ?
B5 B8 Fe1 65.1(6) . . ?
B6 B8 Fe1 120.7(7) . . ?
B1 B8 Fe1 64.5(6) . . ?
Co1 B8 Fe1 125.3(6) . . ?
B5 B8 Co4 67.8(6) . . ?
B6 B8 Co4 110.1(7) . . ?
B1 B8 Co4 132.9(8) . . ?
Co1 B8 Co4 162.5(6) . . ?
Fe1 B8 Co4 71.9(4) . . ?
B5 B8 H8 116(5) . . ?
B6 B8 H8 121(5) . . ?
B1 B8 H8 126(5) . . ?
Co1 B8 H8 116(5) . . ?
Fe1 B8 H8 105(5) . . ?
Co4 B8 H8 51(5) . . ?
B1 B9 Fe1 67.2(7) . . ?
B1 B9 Co2 63.5(6) . . ?
Fe1 B9 Co2 69.7(5) . . ?
B1 B9 H1 46(2) . . ?
Fe1 B9 H1 105(3) . . ?
Co2 B9 H1 100(3) . . ?
B1 B9 H9 145(4) . . ?
Fe1 B9 H9 148(4) . . ?
Co2 B9 H9 121(4) . . ?
H1 B9 H9 103(5) . . ?
B1 B9 H9D 109(3) . . ?
Fe1 B9 H9D 55(2) . . ?
Co2 B9 H9D 119(3) . . ?
H1 B9 H9D 115(6) . . ?
H9 B9 H9D 98(5) . . ?
C81 Fe1 B9 117.9(6) . . ?
C81 Fe1 B5 106.4(6) . . ?
B9 Fe1 B5 133.7(6) . . ?
C81 Fe1 B8 148.9(5) . . ?
B9 Fe1 B8 92.0(5) . . ?
B5 Fe1 B8 48.2(5) . . ?
C81 Fe1 B1 158.3(5) . . ?
B9 Fe1 B1 48.6(5) . . ?
B5 Fe1 B1 85.1(5) . . ?
B8 Fe1 B1 51.0(5) . . ?
C81 Fe1 B4 86.5(5) . . ?
B9 Fe1 B4 115.1(5) . . ?
B5 Fe1 B4 52.7(5) . . ?
B8 Fe1 B4 88.1(5) . . ?
B1 Fe1 B4 86.2(5) . . ?
C81 Fe1 Co2 104.3(4) . . ?
B9 Fe1 Co2 58.6(4) . . ?
B5 Fe1 Co2 99.1(3) . . ?
B8 Fe1 Co2 98.3(3) . . ?
B1 Fe1 Co2 54.9(3) . . ?
B4 Fe1 Co2 57.2(4) . . ?
C81 Fe1 Co4 97.4(4) . . ?
B9 Fe1 Co4 125.6(4) . . ?
B5 Fe1 Co4 56.2(3) . . ?
B8 Fe1 Co4 55.1(3) . . ?
B1 Fe1 Co4 104.2(3) . . ?
B4 Fe1 Co4 106.5(4) . . ?
Co2 Fe1 Co4 151.29(8) . . ?
C81 Fe1 H41 70(4) . . ?
B9 Fe1 H41 114(4) . . ?
B5 Fe1 H41 92(3) . . ?
B8 Fe1 H41 91(3) . . ?
B1 Fe1 H41 129(4) . . ?
B4 Fe1 H41 130(4) . . ?
Co2 Fe1 H41 168(3) . . ?
Co4 Fe1 H41 40(3) . . ?
C81 Fe1 H9D 96(3) . . ?
B9 Fe1 H9D 39.7(14) . . ?
B5 Fe1 H9D 149(3) . . ?
B8 Fe1 H9D 103(3) . . ?
B1 Fe1 H9D 81(2) . . ?
B4 Fe1 H9D 152(2) . . ?
Co2 Fe1 H9D 95.1(18) . . ?
Co4 Fe1 H9D 101(3) . . ?
H41 Fe1 H9D 76(4) . . ?
B1 Co1 B8 53.6(5) . . ?
B1 Co1 B6 90.0(5) . . ?
B8 Co1 B6 51.1(5) . . ?
B1 Co1 C5 169.0(5) . . ?
B8 Co1 C5 133.2(5) . . ?
B6 Co1 C5 100.8(5) . . ?
B1 Co1 B2 52.0(5) . . ?
B8 Co1 B2 91.5(5) . . ?
B6 Co1 B2 89.6(5) . . ?
C5 Co1 B2 129.2(5) . . ?
B1 Co1 C2 103.7(5) . . ?
B8 Co1 C2 104.4(5) . . ?
B6 Co1 C2 134.9(5) . . ?
C5 Co1 C2 67.2(4) . . ?
B2 Co1 C2 132.6(5) . . ?
B1 Co1 C3 102.2(5) . . ?
B8 Co1 C3 136.0(5) . . ?
B6 Co1 C3 167.5(5) . . ?
C5 Co1 C3 66.9(5) . . ?
B2 Co1 C3 99.7(5) . . ?
C2 Co1 C3 40.0(4) . . ?
B1 Co1 C1 135.7(5) . . ?
B8 Co1 C1 103.1(5) . . ?
B6 Co1 C1 102.4(5) . . ?
C5 Co1 C1 40.1(4) . . ?
B2 Co1 C1 165.0(5) . . ?
C2 Co1 C1 40.2(4) . . ?
C3 Co1 C1 67.2(4) . . ?
B1 Co1 C4 132.1(5) . . ?
B8 Co1 C4 169.4(5) . . ?
B6 Co1 C4 131.4(5) . . ?
C5 Co1 C4 39.6(5) . . ?
B2 Co1 C4 98.7(5) . . ?
C2 Co1 C4 66.4(4) . . ?
C3 Co1 C4 39.3(5) . . ?
C1 Co1 C4 66.6(5) . . ?
B1 Co1 B7 88.0(5) . . ?
B8 Co1 B7 88.3(5) . . ?
B6 Co1 B7 50.8(5) . . ?
C5 Co1 B7 100.3(5) . . ?
B2 Co1 B7 50.5(5) . . ?
C2 Co1 B7 166.3(5) . . ?
C3 Co1 B7 131.0(5) . . ?
C1 Co1 B7 132.5(5) . . ?
C4 Co1 B7 100.4(5) . . ?
C15 Co2 B1 164.8(5) . . ?
C15 Co2 C11 39.3(5) . . ?
B1 Co2 C11 129.0(5) . . ?
C15 Co2 C12 64.8(5) . . ?
B1 Co2 C12 112.1(5) . . ?
C11 Co2 C12 37.9(4) . . ?
C15 Co2 C14 38.8(5) . . ?
B1 Co2 C14 155.4(5) . . ?
C11 Co2 C14 65.6(5) . . ?
C12 Co2 C14 65.7(4) . . ?
C15 Co2 C13 65.3(4) . . ?
B1 Co2 C13 122.7(5) . . ?
C11 Co2 C13 65.2(4) . . ?
C12 Co2 C13 39.5(4) . . ?
C14 Co2 C13 39.4(5) . . ?
C15 Co2 B2 115.7(5) . . ?
B1 Co2 B2 49.6(5) . . ?
C11 Co2 B2 92.5(5) . . ?
C12 Co2 B2 105.4(5) . . ?
C14 Co2 B2 154.5(5) . . ?
C13 Co2 B2 143.5(5) . . ?
C15 Co2 B3 89.2(5) . . ?
B1 Co2 B3 82.4(5) . . ?
C11 Co2 B3 96.1(5) . . ?
C12 Co2 B3 131.2(5) . . ?
C14 Co2 B3 118.3(5) . . ?
C13 Co2 B3 154.5(5) . . ?
B2 Co2 B3 48.1(5) . . ?
C15 Co2 B4 100.5(5) . . ?
B1 Co2 B4 83.6(5) . . ?
C11 Co2 B4 132.5(5) . . ?
C12 Co2 B4 164.3(5) . . ?
C14 Co2 B4 99.6(5) . . ?
C13 Co2 B4 131.0(5) . . ?
B2 Co2 B4 85.5(5) . . ?
B3 Co2 B4 49.5(5) . . ?
C15 Co2 B9 143.4(5) . . ?
B1 Co2 B9 46.1(5) . . ?
C11 Co2 B9 122.4(6) . . ?
C12 Co2 B9 86.1(5) . . ?
C14 Co2 B9 110.3(5) . . ?
C13 Co2 B9 78.1(5) . . ?
B2 Co2 B9 92.1(5) . . ?
B3 Co2 B9 127.4(5) . . ?
B4 Co2 B9 105.1(5) . . ?
C15 Co2 Fe1 139.5(4) . . ?
B1 Co2 Fe1 54.1(3) . . ?
C11 Co2 Fe1 170.7(4) . . ?
C12 Co2 Fe1 133.9(3) . . ?
C14 Co2 Fe1 108.3(3) . . ?
C13 Co2 Fe1 105.5(3) . . ?
B2 Co2 Fe1 94.9(3) . . ?
B3 Co2 Fe1 93.1(3) . . ?
B4 Co2 Fe1 54.0(3) . . ?
B9 Co2 Fe1 51.7(4) . . ?
B5 Co3 B4 54.6(5) . . ?
B5 Co3 B6 52.1(5) . . ?
B4 Co3 B6 92.8(5) . . ?
B5 Co3 C22 103.6(5) . . ?
B4 Co3 C22 102.6(5) . . ?
B6 Co3 C22 133.4(5) . . ?
B5 Co3 B3 90.3(5) . . ?
B4 Co3 B3 52.8(5) . . ?
B6 Co3 B3 87.9(5) . . ?
C22 Co3 B3 136.0(5) . . ?
B5 Co3 C23 103.1(5) . . ?
B4 Co3 C23 135.3(5) . . ?
B6 Co3 C23 101.2(5) . . ?
C22 Co3 C23 39.7(5) . . ?
B3 Co3 C23 166.6(5) . . ?
B5 Co3 C24 133.1(5) . . ?
B4 Co3 C24 167.3(5) . . ?
B6 Co3 C24 99.6(5) . . ?
C22 Co3 C24 66.9(5) . . ?
B3 Co3 C24 129.5(5) . . ?
C23 Co3 C24 39.6(5) . . ?
B5 Co3 C25 169.6(5) . . ?
B4 Co3 C25 130.3(5) . . ?
B6 Co3 C25 130.7(5) . . ?
C22 Co3 C25 67.0(5) . . ?
B3 Co3 C25 99.7(5) . . ?
C23 Co3 C25 66.9(5) . . ?
C24 Co3 C25 40.1(5) . . ?
B5 Co3 C21 135.1(5) . . ?
B4 Co3 C21 100.6(5) . . ?
B6 Co3 C21 166.1(5) . . ?
C22 Co3 C21 40.0(5) . . ?
B3 Co3 C21 102.9(5) . . ?
C23 Co3 C21 66.7(5) . . ?
C24 Co3 C21 66.8(5) . . ?
C25 Co3 C21 39.6(5) . . ?
B5 Co3 B7 88.6(5) . . ?
B4 Co3 B7 90.0(5) . . ?
B6 Co3 B7 50.4(5) . . ?
C22 Co3 B7 166.0(5) . . ?
B3 Co3 B7 49.2(5) . . ?
C23 Co3 B7 131.1(5) . . ?
C24 Co3 B7 99.7(5) . . ?
C25 Co3 B7 100.2(5) . . ?
C21 Co3 B7 132.2(5) . . ?
C31 Co4 C33 68.2(4) . . ?
C31 Co4 C35 41.5(5) . . ?
C33 Co4 C35 68.5(4) . . ?
C31 Co4 C34 68.0(4) . . ?
C33 Co4 C34 41.3(4) . . ?
C35 Co4 C34 39.6(4) . . ?
C31 Co4 C32 39.8(4) . . ?
C33 Co4 C32 40.8(4) . . ?
C35 Co4 C32 68.3(4) . . ?
C34 Co4 C32 68.4(4) . . ?
C31 Co4 B8 166.4(5) . . ?
C33 Co4 B8 119.9(4) . . ?
C35 Co4 B8 149.6(5) . . ?
C34 Co4 B8 125.5(4) . . ?
C32 Co4 B8 138.7(5) . . ?
C31 Co4 B5 123.8(5) . . ?
C33 Co4 B5 164.2(5) . . ?
C35 Co4 B5 127.2(5) . . ?
C34 Co4 B5 148.6(5) . . ?
C32 Co4 B5 140.9(4) . . ?
B8 Co4 B5 46.2(5) . . ?
C31 Co4 Fe1 114.4(4) . . ?
C33 Co4 Fe1 115.4(3) . . ?
C35 Co4 Fe1 154.4(4) . . ?
C34 Co4 Fe1 155.8(3) . . ?
C32 Co4 Fe1 97.6(3) . . ?
B8 Co4 Fe1 53.0(3) . . ?
B5 Co4 Fe1 52.0(3) . . ?
C31 Co4 H41 78(3) . . ?
C33 Co4 H41 81(3) . . ?
C35 Co4 H41 118(3) . . ?
C34 Co4 H41 120(3) . . ?
C32 Co4 H41 55(3) . . ?
B8 Co4 H41 92(3) . . ?
B5 Co4 H41 91(3) . . ?
Fe1 Co4 H41 43(3) . . ?
C31 Co4 H8 158(2) . . ?
C33 Co4 H8 90(2) . . ?
C35 Co4 H8 129(3) . . ?
C34 Co4 H8 94(2) . . ?
C32 Co4 H8 123(3) . . ?
B8 Co4 H8 33.4(18) . . ?
B5 Co4 H8 78(2) . . ?
Fe1 Co4 H8 77(3) . . ?
H41 Co4 H8 102(5) . . ?
C42 C41 C45 109.0(10) . . ?
C42 C41 C46 125.4(10) . . ?
C45 C41 C46 125.3(10) . . ?
C42 C41 Co5 72.0(6) . . ?
C45 C41 Co5 70.9(6) . . ?
C46 C41 Co5 127.7(8) . . ?
C43 C42 C41 107.2(10) . . ?
C43 C42 C47 128.0(11) . . ?
C41 C42 C47 124.5(11) . . ?
C43 C42 Co5 68.7(7) . . ?
C41 C42 Co5 67.9(6) . . ?
C47 C42 Co5 133.4(8) . . ?
C42 C43 C44 108.8(9) . . ?
C42 C43 C48 126.7(12) . . ?
C44 C43 C48 124.3(12) . . ?
C42 C43 Co5 71.7(7) . . ?
C44 C43 Co5 70.5(6) . . ?
C48 C43 Co5 128.1(8) . . ?
C45 C44 C43 108.4(10) . . ?
C45 C44 C49 125.2(11) . . ?
C43 C44 C49 126.4(11) . . ?
C45 C44 Co5 70.1(6) . . ?
C43 C44 Co5 68.9(6) . . ?
C49 C44 Co5 129.6(9) . . ?
C44 C45 C41 106.4(10) . . ?
C44 C45 C50 127.8(10) . . ?
C41 C45 C50 125.6(10) . . ?
C44 C45 Co5 70.1(6) . . ?
C41 C45 Co5 68.1(6) . . ?
C50 C45 Co5 130.0(8) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 C55 108.7(12) . . ?
C52 C51 C56 126.3(12) . . ?
C55 C51 C56 125.0(12) . . ?
C52 C51 Co6 70.1(7) . . ?
C55 C51 Co6 70.2(7) . . ?
C56 C51 Co6 127.5(9) . . ?
C51 C52 C53 107.0(11) . . ?
C51 C52 C57 124.9(12) . . ?
C53 C52 C57 128.1(13) . . ?
C51 C52 Co6 70.1(7) . . ?
C53 C52 Co6 69.5(7) . . ?
C57 C52 Co6 127.4(8) . . ?
C54 C53 C52 108.2(12) . . ?
C54 C53 C58 126.5(13) . . ?
C52 C53 C58 125.1(13) . . ?
C54 C53 Co6 71.4(7) . . ?
C52 C53 Co6 70.1(7) . . ?
C58 C53 Co6 128.1(9) . . ?
C53 C54 C55 110.3(12) . . ?
C53 C54 C59 125.0(13) . . ?
C55 C54 C59 124.6(13) . . ?
C53 C54 Co6 69.9(7) . . ?
C55 C54 Co6 70.2(7) . . ?
C59 C54 Co6 130.0(9) . . ?
C54 C55 C51 105.8(12) . . ?
C54 C55 C60 128.7(12) . . ?
C51 C55 C60 125.4(12) . . ?
C54 C55 Co6 70.2(7) . . ?
C51 C55 Co6 69.4(6) . . ?
C60 C55 Co6 128.6(9) . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C65 C61 C62 108.8(11) . . ?
C65 C61 C66 124.2(13) . . ?
C62 C61 C66 126.6(13) . . ?
C65 C61 Co7 71.3(7) . . ?
C62 C61 Co7 70.1(7) . . ?
C66 C61 Co7 130.2(9) . . ?
C61 C62 C63 108.8(11) . . ?
C61 C62 C67 126.7(13) . . ?
C63 C62 C67 123.7(13) . . ?
C61 C62 Co7 71.3(7) . . ?
C63 C62 Co7 70.9(6) . . ?
C67 C62 Co7 132.0(9) . . ?
C64 C63 C62 107.1(11) . . ?
C64 C63 C68 127.9(13) . . ?
C62 C63 C68 124.7(13) . . ?
C64 C63 Co7 70.8(6) . . ?
C62 C63 Co7 70.1(7) . . ?
C68 C63 Co7 129.7(9) . . ?
C63 C64 C65 107.1(10) . . ?
C63 C64 C69 122.7(11) . . ?
C65 C64 C69 129.1(11) . . ?
C63 C64 Co7 70.5(6) . . ?
C65 C64 Co7 70.2(7) . . ?
C69 C64 Co7 133.8(8) . . ?
C61 C65 C64 108.2(11) . . ?
C61 C65 C70 125.8(12) . . ?
C64 C65 C70 125.7(12) . . ?
C61 C65 Co7 71.3(7) . . ?
C64 C65 Co7 70.1(6) . . ?
C70 C65 Co7 128.9(8) . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C62 C67 H67A 109.5 . . ?
C62 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C62 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C63 C68 H68A 109.5 . . ?
C63 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C63 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C75 C71 C72 107.6(9) . . ?
C75 C71 C76 126.7(10) . . ?
C72 C71 C76 125.7(10) . . ?
C75 C71 Co8 69.9(6) . . ?
C72 C71 Co8 70.1(6) . . ?
C76 C71 Co8 126.5(7) . . ?
C73 C72 C71 107.4(10) . . ?
C73 C72 C77 126.4(10) . . ?
C71 C72 C77 126.2(10) . . ?
C73 C72 Co8 70.2(6) . . ?
C71 C72 Co8 69.3(6) . . ?
C77 C72 Co8 126.6(8) . . ?
C74 C73 C72 108.9(10) . . ?
C74 C73 C78 126.2(12) . . ?
C72 C73 C78 124.9(12) . . ?
C74 C73 Co8 70.4(6) . . ?
C72 C73 Co8 69.8(6) . . ?
C78 C73 Co8 127.1(8) . . ?
C73 C74 C75 107.7(10) . . ?
C73 C74 C79 126.0(12) . . ?
C75 C74 C79 126.2(12) . . ?
C73 C74 Co8 70.2(6) . . ?
C75 C74 Co8 69.2(6) . . ?
C79 C74 Co8 128.1(8) . . ?
C71 C75 C74 108.4(10) . . ?
C71 C75 C80 125.0(11) . . ?
C74 C75 C80 126.6(11) . . ?
C71 C75 Co8 69.9(6) . . ?
C74 C75 Co8 70.6(6) . . ?
C80 C75 Co8 128.2(8) . . ?
C71 C76 H76A 109.5 . . ?
C71 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C71 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C72 C77 H77A 109.5 . . ?
C72 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C72 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
O2 C82 Fe2 177.8(12) . . ?
B11 B10 B14 108.0(9) . . ?
B11 B10 B17 56.7(7) . . ?
B14 B10 B17 107.2(9) . . ?
B11 B10 Co6 112.2(8) . . ?
B14 B10 Co6 65.5(6) . . ?
B17 B10 Co6 62.0(5) . . ?
B11 B10 Co8 63.0(6) . . ?
B14 B10 Co8 66.4(6) . . ?
B17 B10 Co8 113.1(7) . . ?
Co6 B10 Co8 126.2(7) . . ?
B11 B10 H10 123.6 . . ?
B14 B10 H10 120.6 . . ?
B17 B10 H10 124.1 . . ?
Co6 B10 H10 112.7 . . ?
Co8 B10 H10 111.5 . . ?
B17 B11 B10 62.6(7) . . ?
B17 B11 B12 108.2(9) . . ?
B10 B11 B12 107.9(9) . . ?
B17 B11 Co8 120.7(8) . . ?
B10 B11 Co8 65.9(6) . . ?
B12 B11 Co8 62.7(6) . . ?
B17 B11 Fe2 65.7(6) . . ?
B10 B11 Fe2 121.4(7) . . ?
B12 B11 Fe2 64.8(6) . . ?
Co8 B11 Fe2 126.0(6) . . ?
B17 B11 Co5 67.7(6) . . ?
B10 B11 Co5 110.2(7) . . ?
B12 B11 Co5 132.7(8) . . ?
Co8 B11 Co5 161.7(6) . . ?
Fe2 B11 Co5 71.8(4) . . ?
B17 B11 H11 142.0 . . ?
B10 B11 H11 112.5 . . ?
B12 B11 H11 108.8 . . ?
Co8 B11 H11 84.2 . . ?
Fe2 B11 H11 125.1 . . ?
Co5 B11 H11 81.0 . . ?
B18 B12 B13 130.3(9) . . ?
B18 B12 B11 115.7(9) . . ?
B13 B12 B11 108.2(8) . . ?
B18 B12 Co8 156.7(9) . . ?
B13 B12 Co8 65.7(6) . . ?
B11 B12 Co8 63.8(5) . . ?
B18 B12 Fe2 64.3(7) . . ?
B13 B12 Fe2 121.3(8) . . ?
B11 B12 Fe2 63.8(5) . . ?
Co8 B12 Fe2 126.0(6) . . ?
B18 B12 Co7 71.4(7) . . ?
B13 B12 Co7 66.5(6) . . ?
B11 B12 Co7 121.4(7) . . ?
Co8 B12 Co7 130.2(6) . . ?
Fe2 B12 Co7 71.1(4) . . ?
B18 B12 H12 52(4) . . ?
B13 B12 H12 123(4) . . ?
B11 B12 H12 118(4) . . ?
Co8 B12 H12 107(4) . . ?
Fe2 B12 H12 109(4) . . ?
Co7 B12 H12 110(4) . . ?
B15 B13 B14 59.3(7) . . ?
B15 B13 B12 105.2(9) . . ?
B14 B13 B12 106.2(9) . . ?
B15 B13 Co8 116.8(8) . . ?
B14 B13 Co8 66.3(6) . . ?
B12 B13 Co8 61.8(6) . . ?
B15 B13 Co7 66.6(6) . . ?
B14 B13 Co7 119.3(9) . . ?
B12 B13 Co7 63.3(6) . . ?
Co8 B13 Co7 123.5(6) . . ?
B15 B13 H13 120.9 . . ?
B14 B13 H13 119.5 . . ?
B12 B13 H13 126.4 . . ?
Co8 B13 H13 112.1 . . ?
Co7 B13 H13 110.3 . . ?
B15 B14 B10 109.6(9) . . ?
B15 B14 B13 60.2(8) . . ?
B10 B14 B13 109.6(9) . . ?
B15 B14 Co6 64.3(6) . . ?
B10 B14 Co6 63.6(6) . . ?
B13 B14 Co6 116.5(8) . . ?
B15 B14 Co8 115.1(8) . . ?
B10 B14 Co8 63.3(6) . . ?
B13 B14 Co8 63.3(6) . . ?
Co6 B14 Co8 121.8(6) . . ?
B15 B14 H14 120.2 . . ?
B10 B14 H14 121.7 . . ?
B13 B14 H14 120.1 . . ?
Co6 B14 H14 112.9 . . ?
Co8 B14 H14 114.0 . . ?
B14 B15 B13 60.5(7) . . ?
B14 B15 B16 110.2(9) . . ?
B13 B15 B16 109.8(9) . . ?
B14 B15 Co6 65.6(6) . . ?
B13 B15 Co6 117.9(8) . . ?
B16 B15 Co6 63.1(6) . . ?
B14 B15 Co7 119.0(8) . . ?
B13 B15 Co7 64.9(6) . . ?
B16 B15 Co7 65.3(6) . . ?
Co6 B15 Co7 125.1(6) . . ?
B14 B15 H15 118.8 . . ?
B13 B15 H15 119.8 . . ?
B16 B15 H15 122.1 . . ?
Co6 B15 H15 111.7 . . ?
Co7 B15 H15 110.5 . . ?
B15 B16 B17 103.4(8) . . ?
B15 B16 Co6 64.1(6) . . ?
B17 B16 Co6 61.0(5) . . ?
B15 B16 Fe2 117.1(8) . . ?
B17 B16 Fe2 62.3(5) . . ?
Co6 B16 Fe2 121.2(6) . . ?
B15 B16 Co7 65.0(6) . . ?
B17 B16 Co7 116.0(7) . . ?
Co6 B16 Co7 125.8(6) . . ?
Fe2 B16 Co7 69.2(4) . . ?
B15 B16 H16 122.1 . . ?
B17 B16 H16 125.4 . . ?
Co6 B16 H16 111.8 . . ?
Fe2 B16 H16 112.6 . . ?
Co7 B16 H16 110.0 . . ?
B11 B17 B10 60.7(7) . . ?
B11 B17 B16 109.4(9) . . ?
B10 B17 B16 109.5(9) . . ?
B11 B17 Co6 118.7(8) . . ?
B10 B17 Co6 65.5(6) . . ?
B16 B17 Co6 64.0(5) . . ?
B11 B17 Fe2 66.3(6) . . ?
B10 B17 Fe2 120.3(7) . . ?
B16 B17 Fe2 64.6(5) . . ?
Co6 B17 Fe2 126.2(6) . . ?
B11 B17 Co5 66.4(6) . . ?
B10 B17 Co5 108.0(7) . . ?
B16 B17 Co5 132.3(7) . . ?
Co6 B17 Co5 162.2(7) . . ?
Fe2 B17 Co5 71.6(4) . . ?
B11 B17 H17 103(6) . . ?
B10 B17 H17 109(6) . . ?
B16 B17 H17 139(6) . . ?
Co6 B17 H17 121(5) . . ?
Fe2 B17 H17 108(5) . . ?
Co5 B17 H17 43(5) . . ?
B12 B18 Fe2 67.8(7) . . ?
B12 B18 Co7 63.0(6) . . ?
Fe2 B18 Co7 69.4(4) . . ?
B12 B18 H12 46(2) . . ?
Fe2 B18 H12 107(3) . . ?
Co7 B18 H12 99(3) . . ?
B12 B18 H18 137(5) . . ?
Fe2 B18 H18 152(5) . . ?
Co7 B18 H18 128(5) . . ?
H12 B18 H18 92(6) . . ?
B12 B18 H18D 109(3) . . ?
Fe2 B18 H18D 54(2) . . ?
Co7 B18 H18D 118(3) . . ?
H12 B18 H18D 118(5) . . ?
H18 B18 H18D 100(5) . . ?
C82 Fe2 B18 117.7(6) . . ?
C82 Fe2 B17 106.9(5) . . ?
B18 Fe2 B17 133.6(5) . . ?
C82 Fe2 B11 149.6(5) . . ?
B18 Fe2 B11 91.6(5) . . ?
B17 Fe2 B11 48.0(5) . . ?
C82 Fe2 B12 157.4(5) . . ?
B18 Fe2 B12 47.9(5) . . ?
B17 Fe2 B12 85.7(5) . . ?
B11 Fe2 B12 51.3(5) . . ?
C82 Fe2 B16 86.8(5) . . ?
B18 Fe2 B16 115.0(5) . . ?
B17 Fe2 B16 53.1(5) . . ?
B11 Fe2 B16 87.8(5) . . ?
B12 Fe2 B16 86.2(5) . . ?
C82 Fe2 Co7 104.1(4) . . ?
B18 Fe2 Co7 58.9(4) . . ?
B17 Fe2 Co7 99.2(3) . . ?
B11 Fe2 Co7 97.7(4) . . ?
B12 Fe2 Co7 54.5(3) . . ?
B16 Fe2 Co7 56.9(4) . . ?
C82 Fe2 Co5 97.9(4) . . ?
B18 Fe2 Co5 124.9(4) . . ?
B17 Fe2 Co5 56.2(3) . . ?
B11 Fe2 Co5 55.5(3) . . ?
B12 Fe2 Co5 104.6(3) . . ?
B16 Fe2 Co5 107.1(4) . . ?
Co7 Fe2 Co5 151.24(8) . . ?
C82 Fe2 H25 90(5) . . ?
B18 Fe2 H25 96(4) . . ?
B17 Fe2 H25 97(3) . . ?
B11 Fe2 H25 79(4) . . ?
B12 Fe2 H25 108(5) . . ?
B16 Fe2 H25 146(3) . . ?
Co7 Fe2 H25 155(4) . . ?
Co5 Fe2 H25 40(3) . . ?
C82 Fe2 H18D 96(2) . . ?
B18 Fe2 H18D 39.1(13) . . ?
B17 Fe2 H18D 149(3) . . ?
B11 Fe2 H18D 103(3) . . ?
B12 Fe2 H18D 80.0(19) . . ?
B16 Fe2 H18D 151(2) . . ?
Co7 Fe2 H18D 94.8(17) . . ?
Co5 Fe2 H18D 101(2) . . ?
H25 Fe2 H18D 62(3) . . ?
C41 Co5 C43 67.4(4) . . ?
C41 Co5 C45 41.1(4) . . ?
C43 Co5 C45 67.9(4) . . ?
C41 Co5 C44 67.5(4) . . ?
C43 Co5 C44 40.6(5) . . ?
C45 Co5 C44 39.8(4) . . ?
C41 Co5 C42 40.1(4) . . ?
C43 Co5 C42 39.6(4) . . ?
C45 Co5 C42 67.9(4) . . ?
C44 Co5 C42 67.2(4) . . ?
C41 Co5 B11 121.4(4) . . ?
C43 Co5 B11 166.0(5) . . ?
C45 Co5 B11 126.1(4) . . ?
C44 Co5 B11 150.4(5) . . ?
C42 Co5 B11 139.4(4) . . ?
C41 Co5 B17 165.3(4) . . ?
C43 Co5 B17 123.5(4) . . ?
C45 Co5 B17 148.5(5) . . ?
C44 Co5 B17 127.1(4) . . ?
C42 Co5 B17 141.2(4) . . ?
B11 Co5 B17 45.9(4) . . ?
C41 Co5 Fe2 115.8(3) . . ?
C43 Co5 Fe2 114.5(4) . . ?
C45 Co5 Fe2 155.9(3) . . ?
C44 Co5 Fe2 153.7(3) . . ?
C42 Co5 Fe2 98.1(3) . . ?
B11 Co5 Fe2 52.7(3) . . ?
B17 Co5 Fe2 52.2(3) . . ?
C41 Co5 H25 74(3) . . ?
C43 Co5 H25 96(4) . . ?
C45 Co5 H25 115(3) . . ?
C44 Co5 H25 130(3) . . ?
C42 Co5 H25 63(4) . . ?
B11 Co5 H25 78(4) . . ?
B17 Co5 H25 94(3) . . ?
Fe2 Co5 H25 42(3) . . ?
C41 Co5 H17 164(2) . . ?
C43 Co5 H17 101(3) . . ?
C45 Co5 H17 125(3) . . ?
C44 Co5 H17 96(2) . . ?
C42 Co5 H17 135(4) . . ?
B11 Co5 H17 73(3) . . ?
B17 Co5 H17 31(2) . . ?
Fe2 Co5 H17 79(3) . . ?
H25 Co5 H17 120(4) . . ?
B17 Co6 B16 55.0(5) . . ?
B17 Co6 B10 52.6(5) . . ?
B16 Co6 B10 93.5(5) . . ?
B17 Co6 B15 91.3(5) . . ?
B16 Co6 B15 52.8(5) . . ?
B10 Co6 B15 89.2(5) . . ?
B17 Co6 C53 102.9(5) . . ?
B16 Co6 C53 103.1(5) . . ?
B10 Co6 C53 132.2(5) . . ?
B15 Co6 C53 136.2(5) . . ?
B17 Co6 C52 102.7(5) . . ?
B16 Co6 C52 136.5(5) . . ?
B10 Co6 C52 99.5(5) . . ?
B15 Co6 C52 166.1(5) . . ?
C53 Co6 C52 40.4(5) . . ?
B17 Co6 C51 133.9(5) . . ?
B16 Co6 C51 166.9(5) . . ?
B10 Co6 C51 99.5(5) . . ?
B15 Co6 C51 128.2(5) . . ?
C53 Co6 C51 67.0(5) . . ?
C52 Co6 C51 39.8(5) . . ?
B17 Co6 B14 89.6(5) . . ?
B16 Co6 B14 90.8(5) . . ?
B10 Co6 B14 50.9(5) . . ?
B15 Co6 B14 50.1(5) . . ?
C53 Co6 B14 165.0(5) . . ?
C52 Co6 B14 129.2(5) . . ?
C51 Co6 B14 98.4(5) . . ?
B17 Co6 C55 169.3(5) . . ?
B16 Co6 C55 128.8(5) . . ?
B10 Co6 C55 131.5(5) . . ?
B15 Co6 C55 98.5(5) . . ?
C53 Co6 C55 66.9(5) . . ?
C52 Co6 C55 67.6(5) . . ?
C51 Co6 C55 40.4(5) . . ?
B14 Co6 C55 100.0(5) . . ?
B17 Co6 C54 133.4(5) . . ?
B16 Co6 C54 100.7(5) . . ?
B10 Co6 C54 164.7(5) . . ?
B15 Co6 C54 103.9(5) . . ?
C53 Co6 C54 38.7(5) . . ?
C52 Co6 C54 66.2(5) . . ?
C51 Co6 C54 66.2(5) . . ?
B14 Co6 C54 133.6(5) . . ?
C55 Co6 C54 39.6(5) . . ?
B12 Co7 C62 163.9(5) . . ?
B12 Co7 C63 155.8(5) . . ?
C62 Co7 C63 39.0(5) . . ?
B12 Co7 C64 123.3(4) . . ?
C62 Co7 C64 64.8(4) . . ?
C63 Co7 C64 38.7(4) . . ?
B12 Co7 C61 128.7(5) . . ?
C62 Co7 C61 38.6(5) . . ?
C63 Co7 C61 65.2(5) . . ?
C64 Co7 C61 64.8(4) . . ?
B12 Co7 C65 112.0(5) . . ?
C62 Co7 C65 64.1(5) . . ?
C63 Co7 C65 65.4(4) . . ?
C64 Co7 C65 39.7(4) . . ?
C61 Co7 C65 37.4(5) . . ?
B12 Co7 B13 50.2(5) . . ?
C62 Co7 B13 114.4(5) . . ?
C63 Co7 B13 153.4(5) . . ?
C64 Co7 B13 143.9(5) . . ?
C61 Co7 B13 92.1(5) . . ?
C65 Co7 B13 105.3(5) . . ?
B12 Co7 B15 83.4(5) . . ?
C62 Co7 B15 88.2(5) . . ?
C63 Co7 B15 117.2(5) . . ?
C64 Co7 B15 152.9(4) . . ?
C61 Co7 B15 95.7(5) . . ?
C65 Co7 B15 130.7(5) . . ?
B13 Co7 B15 48.5(5) . . ?
B12 Co7 B16 84.3(5) . . ?
C62 Co7 B16 100.7(5) . . ?
C63 Co7 B16 99.3(5) . . ?
C64 Co7 B16 130.3(5) . . ?
C61 Co7 B16 132.4(5) . . ?
C65 Co7 B16 163.7(5) . . ?
B13 Co7 B16 85.9(5) . . ?
B15 Co7 B16 49.7(5) . . ?
B12 Co7 B18 45.6(5) . . ?
C62 Co7 B18 144.0(5) . . ?
C63 Co7 B18 111.0(5) . . ?
C64 Co7 B18 79.4(5) . . ?
C61 Co7 B18 122.6(5) . . ?
C65 Co7 B18 86.7(5) . . ?
B13 Co7 B18 92.4(5) . . ?
B15 Co7 B18 127.8(5) . . ?
B16 Co7 B18 105.0(5) . . ?
B12 Co7 Fe2 54.5(3) . . ?
C62 Co7 Fe2 140.2(4) . . ?
C63 Co7 Fe2 108.7(3) . . ?
C64 Co7 Fe2 105.9(3) . . ?
C61 Co7 Fe2 170.6(4) . . ?
C65 Co7 Fe2 134.3(4) . . ?
B13 Co7 Fe2 95.5(4) . . ?
B15 Co7 Fe2 93.5(4) . . ?
B16 Co7 Fe2 54.0(3) . . ?
B18 Co7 Fe2 51.6(4) . . ?
B12 Co8 B11 53.5(5) . . ?
B12 Co8 B10 90.4(5) . . ?
B11 Co8 B10 51.0(5) . . ?
B12 Co8 B13 52.6(5) . . ?
B11 Co8 B13 91.4(5) . . ?
B10 Co8 B13 89.5(5) . . ?
B12 Co8 C75 102.1(5) . . ?
B11 Co8 C75 136.6(5) . . ?
B10 Co8 C75 167.3(5) . . ?
B13 Co8 C75 99.7(5) . . ?
B12 Co8 C71 103.4(4) . . ?
B11 Co8 C71 104.8(4) . . ?
B10 Co8 C71 135.0(5) . . ?
B13 Co8 C71 132.7(5) . . ?
C75 Co8 C71 40.2(4) . . ?
B12 Co8 C72 135.7(5) . . ?
B11 Co8 C72 103.4(5) . . ?
B10 Co8 C72 102.1(5) . . ?
B13 Co8 C72 165.0(5) . . ?
C75 Co8 C72 67.5(4) . . ?
C71 Co8 C72 40.5(4) . . ?
B12 Co8 C73 169.0(5) . . ?
B11 Co8 C73 133.2(5) . . ?
B10 Co8 C73 100.4(5) . . ?
B13 Co8 C73 128.9(5) . . ?
C75 Co8 C73 67.0(5) . . ?
C71 Co8 C73 67.5(4) . . ?
C72 Co8 C73 40.0(4) . . ?
B12 Co8 C74 132.5(5) . . ?
B11 Co8 C74 170.5(5) . . ?
B10 Co8 C74 130.1(5) . . ?
B13 Co8 C74 98.0(5) . . ?
C75 Co8 C74 40.2(4) . . ?
C71 Co8 C74 67.6(4) . . ?
C72 Co8 C74 67.2(5) . . ?
C73 Co8 C74 39.5(5) . . ?
B12 Co8 B14 88.2(5) . . ?
B11 Co8 B14 87.6(5) . . ?
B10 Co8 B14 50.3(5) . . ?
B13 Co8 B14 50.4(5) . . ?
C75 Co8 B14 131.1(5) . . ?
C71 Co8 B14 166.5(5) . . ?
C72 Co8 B14 132.1(5) . . ?
C73 Co8 B14 100.2(5) . . ?
C74 Co8 B14 99.5(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 -1.0(12) . . . . ?
C7 C1 C2 C3 179.9(10) . . . . ?
Co1 C1 C2 C3 -60.2(7) . . . . ?
C5 C1 C2 C8 -179.5(10) . . . . ?
C7 C1 C2 C8 1.4(18) . . . . ?
Co1 C1 C2 C8 121.4(10) . . . . ?
C5 C1 C2 Co1 59.2(7) . . . . ?
C7 C1 C2 Co1 -119.9(11) . . . . ?
C1 C2 C3 C4 -0.8(12) . . . . ?
C8 C2 C3 C4 177.7(10) . . . . ?
Co1 C2 C3 C4 -61.2(8) . . . . ?
C1 C2 C3 C9 -175.8(11) . . . . ?
C8 C2 C3 C9 2.7(18) . . . . ?
Co1 C2 C3 C9 123.8(12) . . . . ?
C1 C2 C3 Co1 60.4(7) . . . . ?
C8 C2 C3 Co1 -121.1(10) . . . . ?
C2 C3 C4 C5 2.3(12) . . . . ?
C9 C3 C4 C5 177.3(11) . . . . ?
Co1 C3 C4 C5 -58.2(8) . . . . ?
C2 C3 C4 C10 -178.4(10) . . . . ?
C9 C3 C4 C10 -3.3(19) . . . . ?
Co1 C3 C4 C10 121.1(12) . . . . ?
C2 C3 C4 Co1 60.5(7) . . . . ?
C9 C3 C4 Co1 -124.5(12) . . . . ?
C3 C4 C5 C1 -2.9(13) . . . . ?
C10 C4 C5 C1 177.7(10) . . . . ?
Co1 C4 C5 C1 -61.5(7) . . . . ?
C3 C4 C5 C6 -178.7(11) . . . . ?
C10 C4 C5 C6 1.9(19) . . . . ?
Co1 C4 C5 C6 122.7(12) . . . . ?
C3 C4 C5 Co1 58.6(8) . . . . ?
C10 C4 C5 Co1 -120.8(11) . . . . ?
C2 C1 C5 C4 2.4(12) . . . . ?
C7 C1 C5 C4 -178.5(11) . . . . ?
Co1 C1 C5 C4 61.8(8) . . . . ?
C2 C1 C5 C6 178.4(11) . . . . ?
C7 C1 C5 C6 -2.5(18) . . . . ?
Co1 C1 C5 C6 -122.3(11) . . . . ?
C2 C1 C5 Co1 -59.4(7) . . . . ?
C7 C1 C5 Co1 119.7(11) . . . . ?
C15 C11 C12 C13 -0.3(13) . . . . ?
C16 C11 C12 C13 172.6(11) . . . . ?
Co2 C11 C12 C13 -60.5(8) . . . . ?
C15 C11 C12 C17 -175.3(11) . . . . ?
C16 C11 C12 C17 -2.3(19) . . . . ?
Co2 C11 C12 C17 124.5(11) . . . . ?
C15 C11 C12 Co2 60.2(8) . . . . ?
C16 C11 C12 Co2 -126.8(12) . . . . ?
C11 C12 C13 C14 -0.1(13) . . . . ?
C17 C12 C13 C14 174.7(11) . . . . ?
Co2 C12 C13 C14 -60.9(7) . . . . ?
C11 C12 C13 C18 -167.8(11) . . . . ?
C17 C12 C13 C18 7.1(19) . . . . ?
Co2 C12 C13 C18 131.4(12) . . . . ?
C11 C12 C13 Co2 60.8(8) . . . . ?
C17 C12 C13 Co2 -124.4(12) . . . . ?
C12 C13 C14 C15 0.5(12) . . . . ?
C18 C13 C14 C15 169.1(10) . . . . ?
Co2 C13 C14 C15 -60.3(8) . . . . ?
C12 C13 C14 C19 -172.4(11) . . . . ?
C18 C13 C14 C19 -3.7(18) . . . . ?
Co2 C13 C14 C19 126.9(12) . . . . ?
C12 C13 C14 Co2 60.8(8) . . . . ?
C18 C13 C14 Co2 -130.6(11) . . . . ?
C13 C14 C15 C11 -0.7(13) . . . . ?
C19 C14 C15 C11 172.1(11) . . . . ?
Co2 C14 C15 C11 -61.4(8) . . . . ?
C13 C14 C15 C20 -170.0(11) . . . . ?
C19 C14 C15 C20 2.8(19) . . . . ?
Co2 C14 C15 C20 129.3(12) . . . . ?
C13 C14 C15 Co2 60.8(8) . . . . ?
C19 C14 C15 Co2 -126.5(12) . . . . ?
C12 C11 C15 C14 0.6(14) . . . . ?
C16 C11 C15 C14 -172.4(11) . . . . ?
Co2 C11 C15 C14 61.7(8) . . . . ?
C12 C11 C15 C20 169.5(11) . . . . ?
C16 C11 C15 C20 -3(2) . . . . ?
Co2 C11 C15 C20 -129.3(12) . . . . ?
C12 C11 C15 Co2 -61.1(8) . . . . ?
C16 C11 C15 Co2 125.9(12) . . . . ?
C25 C21 C22 C23 -1.5(14) . . . . ?
C26 C21 C22 C23 176.1(12) . . . . ?
Co3 C21 C22 C23 -60.8(8) . . . . ?
C25 C21 C22 C27 -177.9(12) . . . . ?
C26 C21 C22 C27 0(2) . . . . ?
Co3 C21 C22 C27 122.9(13) . . . . ?
C25 C21 C22 Co3 59.3(9) . . . . ?
C26 C21 C22 Co3 -123.1(13) . . . . ?
C21 C22 C23 C24 1.2(14) . . . . ?
C27 C22 C23 C24 177.4(12) . . . . ?
Co3 C22 C23 C24 -60.1(8) . . . . ?
C21 C22 C23 C28 -177.2(11) . . . . ?
C27 C22 C23 C28 -1(2) . . . . ?
Co3 C22 C23 C28 121.5(13) . . . . ?
C21 C22 C23 Co3 61.3(9) . . . . ?
C27 C22 C23 Co3 -122.5(13) . . . . ?
C22 C23 C24 C25 -0.4(14) . . . . ?
C28 C23 C24 C25 178.1(11) . . . . ?
Co3 C23 C24 C25 -60.2(8) . . . . ?
C22 C23 C24 C29 -177.2(11) . . . . ?
C28 C23 C24 C29 1(2) . . . . ?
Co3 C23 C24 C29 123.0(12) . . . . ?
C22 C23 C24 Co3 59.8(9) . . . . ?
C28 C23 C24 Co3 -121.7(12) . . . . ?
C22 C21 C25 C24 1.3(14) . . . . ?
C26 C21 C25 C24 -176.3(12) . . . . ?
Co3 C21 C25 C24 60.0(8) . . . . ?
C22 C21 C25 C30 177.6(12) . . . . ?
C26 C21 C25 C30 0(2) . . . . ?
Co3 C21 C25 C30 -123.6(13) . . . . ?
C22 C21 C25 Co3 -58.7(8) . . . . ?
C26 C21 C25 Co3 123.7(14) . . . . ?
C23 C24 C25 C21 -0.5(13) . . . . ?
C29 C24 C25 C21 176.3(11) . . . . ?
Co3 C24 C25 C21 -60.6(8) . . . . ?
C23 C24 C25 C30 -177.0(12) . . . . ?
C29 C24 C25 C30 0(2) . . . . ?
Co3 C24 C25 C30 123.0(13) . . . . ?
C23 C24 C25 Co3 60.1(8) . . . . ?
C29 C24 C25 Co3 -123.1(12) . . . . ?
C35 C31 C32 C33 2.8(12) . . . . ?
C36 C31 C32 C33 176.0(10) . . . . ?
Co4 C31 C32 C33 -57.5(7) . . . . ?
C35 C31 C32 C37 -168.4(10) . . . . ?
C36 C31 C32 C37 4.9(18) . . . . ?
Co4 C31 C32 C37 131.3(11) . . . . ?
C35 C31 C32 Co4 60.3(7) . . . . ?
C36 C31 C32 Co4 -126.4(11) . . . . ?
C31 C32 C33 C34 -3.5(12) . . . . ?
C37 C32 C33 C34 167.9(10) . . . . ?
Co4 C32 C33 C34 -61.1(7) . . . . ?
C31 C32 C33 C38 -178.5(10) . . . . ?
C37 C32 C33 C38 -7.1(17) . . . . ?
Co4 C32 C33 C38 123.9(11) . . . . ?
C31 C32 C33 Co4 57.6(8) . . . . ?
C37 C32 C33 Co4 -131.0(11) . . . . ?
C32 C33 C34 C35 2.9(12) . . . . ?
C38 C33 C34 C35 177.9(10) . . . . ?
Co4 C33 C34 C35 -58.3(8) . . . . ?
C32 C33 C34 C39 -175.1(10) . . . . ?
C38 C33 C34 C39 -0.1(17) . . . . ?
Co4 C33 C34 C39 123.6(11) . . . . ?
C32 C33 C34 Co4 61.3(7) . . . . ?
C38 C33 C34 Co4 -123.8(11) . . . . ?
C33 C34 C35 C31 -1.3(12) . . . . ?
C39 C34 C35 C31 176.8(10) . . . . ?
Co4 C34 C35 C31 -58.8(7) . . . . ?
C33 C34 C35 C40 -175.3(11) . . . . ?
C39 C34 C35 C40 2.7(19) . . . . ?
Co4 C34 C35 C40 127.1(13) . . . . ?
C33 C34 C35 Co4 57.6(7) . . . . ?
C39 C34 C35 Co4 -124.4(11) . . . . ?
C32 C31 C35 C34 -0.9(13) . . . . ?
C36 C31 C35 C34 -174.4(10) . . . . ?
Co4 C31 C35 C34 60.3(8) . . . . ?
C32 C31 C35 C40 173.3(11) . . . . ?
C36 C31 C35 C40 -0.1(18) . . . . ?
Co4 C31 C35 C40 -125.5(12) . . . . ?
C32 C31 C35 Co4 -61.3(8) . . . . ?
C36 C31 C35 Co4 125.3(11) . . . . ?
B9 B1 B2 B3 -88.7(13) . . . . ?
B8 B1 B2 B3 63.1(11) . . . . ?
Co1 B1 B2 B3 111.7(8) . . . . ?
Fe1 B1 B2 B3 -8.2(12) . . . . ?
Co2 B1 B2 B3 -54.7(7) . . . . ?
B9 B1 B2 B7 -150.3(11) . . . . ?
B8 B1 B2 B7 1.5(12) . . . . ?
Co1 B1 B2 B7 50.1(7) . . . . ?
Fe1 B1 B2 B7 -69.9(11) . . . . ?
Co2 B1 B2 B7 -116.3(8) . . . . ?
B9 B1 B2 Co1 159.6(13) . . . . ?
B8 B1 B2 Co1 -48.6(7) . . . . ?
Fe1 B1 B2 Co1 -120.0(8) . . . . ?
Co2 B1 B2 Co1 -166.4(5) . . . . ?
B9 B1 B2 Co2 -34.0(11) . . . . ?
B8 B1 B2 Co2 117.7(8) . . . . ?
Co1 B1 B2 Co2 166.4(5) . . . . ?
Fe1 B1 B2 Co2 46.4(7) . . . . ?
B1 B2 B3 B7 -99.1(9) . . . . ?
Co1 B2 B3 B7 -33.6(8) . . . . ?
Co2 B2 B3 B7 -152.0(7) . . . . ?
B1 B2 B3 B4 4.0(11) . . . . ?
B7 B2 B3 B4 103.1(10) . . . . ?
Co1 B2 B3 B4 69.5(10) . . . . ?
Co2 B2 B3 B4 -48.9(7) . . . . ?
B1 B2 B3 Co3 -65.0(10) . . . . ?
B7 B2 B3 Co3 34.1(8) . . . . ?
Co1 B2 B3 Co3 0.6(12) . . . . ?
Co2 B2 B3 Co3 -117.8(8) . . . . ?
B1 B2 B3 Co2 52.8(7) . . . . ?
B7 B2 B3 Co2 152.0(7) . . . . ?
Co1 B2 B3 Co2 118.4(7) . . . . ?
B7 B3 B4 B5 1.2(11) . . . . ?
B2 B3 B4 B5 -64.2(11) . . . . ?
Co3 B3 B4 B5 48.8(7) . . . . ?
Co2 B3 B4 B5 -112.5(7) . . . . ?
B7 B3 B4 Co3 -47.6(7) . . . . ?
B2 B3 B4 Co3 -113.0(8) . . . . ?
Co2 B3 B4 Co3 -161.3(5) . . . . ?
B7 B3 B4 Fe1 66.4(11) . . . . ?
B2 B3 B4 Fe1 1.0(12) . . . . ?
Co3 B3 B4 Fe1 114.0(7) . . . . ?
Co2 B3 B4 Fe1 -47.3(6) . . . . ?
B7 B3 B4 Co2 113.7(9) . . . . ?
B2 B3 B4 Co2 48.3(7) . . . . ?
Co3 B3 B4 Co2 161.3(5) . . . . ?
B3 B4 B5 B8 63.2(11) . . . . ?
Co3 B4 B5 B8 114.0(9) . . . . ?
Fe1 B4 B5 B8 -50.1(7) . . . . ?
Co2 B4 B5 B8 -5.0(12) . . . . ?
B3 B4 B5 B6 -1.6(11) . . . . ?
Co3 B4 B5 B6 49.2(7) . . . . ?
Fe1 B4 B5 B6 -114.8(8) . . . . ?
Co2 B4 B5 B6 -69.7(10) . . . . ?
B3 B4 B5 Co3 -50.8(7) . . . . ?
Fe1 B4 B5 Co3 -164.0(6) . . . . ?
Co2 B4 B5 Co3 -118.9(7) . . . . ?
B3 B4 B5 Fe1 113.2(8) . . . . ?
Co3 B4 B5 Fe1 164.0(6) . . . . ?
Co2 B4 B5 Fe1 45.1(6) . . . . ?
B3 B4 B5 Co4 139.2(9) . . . . ?
Co3 B4 B5 Co4 -170.0(11) . . . . ?
Fe1 B4 B5 Co4 26.0(8) . . . . ?
Co2 B4 B5 Co4 71.0(12) . . . . ?
B4 B5 B6 B8 103.0(10) . . . . ?
Co3 B5 B6 B8 151.2(8) . . . . ?
Fe1 B5 B6 B8 30.8(8) . . . . ?
Co4 B5 B6 B8 -47.9(7) . . . . ?
B8 B5 B6 B7 -101.6(9) . . . . ?
B4 B5 B6 B7 1.4(11) . . . . ?
Co3 B5 B6 B7 49.6(7) . . . . ?
Fe1 B5 B6 B7 -70.8(10) . . . . ?
Co4 B5 B6 B7 -149.5(7) . . . . ?
B8 B5 B6 Co1 -30.6(7) . . . . ?
B4 B5 B6 Co1 72.4(10) . . . . ?
Co3 B5 B6 Co1 120.6(7) . . . . ?
Fe1 B5 B6 Co1 0.2(11) . . . . ?
Co4 B5 B6 Co1 -78.5(8) . . . . ?
B8 B5 B6 Co3 -151.2(8) . . . . ?
B4 B5 B6 Co3 -48.2(7) . . . . ?
Fe1 B5 B6 Co3 -120.4(8) . . . . ?
Co4 B5 B6 Co3 160.9(7) . . . . ?
B2 B3 B7 B6 101.3(10) . . . . ?
B4 B3 B7 B6 -0.4(12) . . . . ?
Co3 B3 B7 B6 -46.2(7) . . . . ?
Co2 B3 B7 B6 72.3(10) . . . . ?
B4 B3 B7 B2 -101.7(10) . . . . ?
Co3 B3 B7 B2 -147.5(8) . . . . ?
Co2 B3 B7 B2 -29.0(8) . . . . ?
B2 B3 B7 Co1 32.7(7) . . . . ?
B4 B3 B7 Co1 -69.0(10) . . . . ?
Co3 B3 B7 Co1 -114.8(7) . . . . ?
Co2 B3 B7 Co1 3.7(11) . . . . ?
B2 B3 B7 Co3 147.5(8) . . . . ?
B4 B3 B7 Co3 45.8(7) . . . . ?
Co2 B3 B7 Co3 118.5(7) . . . . ?
B8 B6 B7 B3 -61.0(11) . . . . ?
B5 B6 B7 B3 -0.6(12) . . . . ?
Co1 B6 B7 B3 -109.4(8) . . . . ?
Co3 B6 B7 B3 46.6(7) . . . . ?
B8 B6 B7 B2 3.0(12) . . . . ?
B5 B6 B7 B2 63.4(11) . . . . ?
Co1 B6 B7 B2 -45.4(7) . . . . ?
Co3 B6 B7 B2 110.6(8) . . . . ?
B8 B6 B7 Co1 48.4(7) . . . . ?
B5 B6 B7 Co1 108.8(8) . . . . ?
Co3 B6 B7 Co1 156.0(5) . . . . ?
B8 B6 B7 Co3 -107.6(8) . . . . ?
B5 B6 B7 Co3 -47.2(7) . . . . ?
Co1 B6 B7 Co3 -156.0(5) . . . . ?
B1 B2 B7 B3 99.4(9) . . . . ?
Co1 B2 B7 B3 147.1(8) . . . . ?
Co2 B2 B7 B3 30.1(8) . . . . ?
B3 B2 B7 B6 -102.1(9) . . . . ?
B1 B2 B7 B6 -2.7(12) . . . . ?
Co1 B2 B7 B6 45.0(7) . . . . ?
Co2 B2 B7 B6 -72.0(10) . . . . ?
B3 B2 B7 Co1 -147.1(8) . . . . ?
B1 B2 B7 Co1 -47.7(7) . . . . ?
Co2 B2 B7 Co1 -116.9(8) . . . . ?
B3 B2 B7 Co3 -32.7(7) . . . . ?
B1 B2 B7 Co3 66.7(10) . . . . ?
Co1 B2 B7 Co3 114.3(7) . . . . ?
Co2 B2 B7 Co3 -2.6(11) . . . . ?
B4 B5 B8 B6 -101.9(10) . . . . ?
Co3 B5 B8 B6 -30.6(8) . . . . ?
Fe1 B5 B8 B6 -151.2(7) . . . . ?
Co4 B5 B8 B6 129.2(7) . . . . ?
B6 B5 B8 B1 100.7(9) . . . . ?
B4 B5 B8 B1 -1.3(12) . . . . ?
Co3 B5 B8 B1 70.1(11) . . . . ?
Fe1 B5 B8 B1 -50.5(7) . . . . ?
Co4 B5 B8 B1 -130.1(8) . . . . ?
B6 B5 B8 Co1 33.2(8) . . . . ?
B4 B5 B8 Co1 -68.7(11) . . . . ?
Co3 B5 B8 Co1 2.6(12) . . . . ?
Fe1 B5 B8 Co1 -118.0(7) . . . . ?
Co4 B5 B8 Co1 162.4(8) . . . . ?
B6 B5 B8 Fe1 151.2(7) . . . . ?
B4 B5 B8 Fe1 49.2(7) . . . . ?
Co3 B5 B8 Fe1 120.6(8) . . . . ?
Co4 B5 B8 Fe1 -79.6(3) . . . . ?
B6 B5 B8 Co4 -129.2(7) . . . . ?
B4 B5 B8 Co4 128.8(8) . . . . ?
Co3 B5 B8 Co4 -159.8(8) . . . . ?
Fe1 B5 B8 Co4 79.6(3) . . . . ?
B7 B6 B8 B5 98.6(9) . . . . ?
Co1 B6 B8 B5 148.6(7) . . . . ?
Co3 B6 B8 B5 27.5(7) . . . . ?
B7 B6 B8 B1 -2.0(11) . . . . ?
B5 B6 B8 B1 -100.5(9) . . . . ?
Co1 B6 B8 B1 48.0(7) . . . . ?
Co3 B6 B8 B1 -73.1(10) . . . . ?
B7 B6 B8 Co1 -50.0(7) . . . . ?
B5 B6 B8 Co1 -148.6(7) . . . . ?
Co3 B6 B8 Co1 -121.1(7) . . . . ?
B7 B6 B8 Fe1 68.0(10) . . . . ?
B5 B6 B8 Fe1 -30.6(8) . . . . ?
Co1 B6 B8 Fe1 118.0(7) . . . . ?
Co3 B6 B8 Fe1 -3.1(11) . . . . ?
B7 B6 B8 Co4 148.4(7) . . . . ?
B5 B6 B8 Co4 49.8(7) . . . . ?
Co1 B6 B8 Co4 -161.6(7) . . . . ?
Co3 B6 B8 Co4 77.3(8) . . . . ?
B9 B1 B8 B5 90.4(11) . . . . ?
B2 B1 B8 B5 -65.3(11) . . . . ?
Co1 B1 B8 B5 -115.4(8) . . . . ?
Fe1 B1 B8 B5 50.9(7) . . . . ?
Co2 B1 B8 B5 7.9(12) . . . . ?
B9 B1 B8 B6 156.0(10) . . . . ?
B2 B1 B8 B6 0.3(12) . . . . ?
Co1 B1 B8 B6 -49.7(7) . . . . ?
Fe1 B1 B8 B6 116.5(8) . . . . ?
Co2 B1 B8 B6 73.6(11) . . . . ?
B9 B1 B8 Co1 -154.3(11) . . . . ?
B2 B1 B8 Co1 50.0(7) . . . . ?
Fe1 B1 B8 Co1 166.3(5) . . . . ?
Co2 B1 B8 Co1 123.3(9) . . . . ?
B9 B1 B8 Fe1 39.5(9) . . . . ?
B2 B1 B8 Fe1 -116.2(8) . . . . ?
Co1 B1 B8 Fe1 -166.3(5) . . . . ?
Co2 B1 B8 Fe1 -42.9(7) . . . . ?
B9 B1 B8 Co4 15.4(16) . . . . ?
B2 B1 B8 Co4 -140.3(9) . . . . ?
Co1 B1 B8 Co4 169.6(10) . . . . ?
Fe1 B1 B8 Co4 -24.1(9) . . . . ?
Co2 B1 B8 Co4 -67.1(13) . . . . ?
B2 B1 B9 Fe1 110.6(12) . . . . ?
B8 B1 B9 Fe1 -39.6(8) . . . . ?
Co1 B1 B9 Fe1 -124(2) . . . . ?
Co2 B1 B9 Fe1 77.8(4) . . . . ?
B2 B1 B9 Co2 32.9(11) . . . . ?
B8 B1 B9 Co2 -117.4(9) . . . . ?
Co1 B1 B9 Co2 158(2) . . . . ?
Fe1 B1 B9 Co2 -77.8(4) . . . . ?
C45 C41 C42 C43 4.0(12) . . . . ?
C46 C41 C42 C43 178.5(10) . . . . ?
Co5 C41 C42 C43 -57.5(8) . . . . ?
C45 C41 C42 C47 -170.1(10) . . . . ?
C46 C41 C42 C47 4.4(17) . . . . ?
Co5 C41 C42 C47 128.4(11) . . . . ?
C45 C41 C42 Co5 61.5(7) . . . . ?
C46 C41 C42 Co5 -124.0(11) . . . . ?
C41 C42 C43 C44 -4.1(12) . . . . ?
C47 C42 C43 C44 169.7(11) . . . . ?
Co5 C42 C43 C44 -61.1(8) . . . . ?
C41 C42 C43 C48 -178.6(11) . . . . ?
C47 C42 C43 C48 -4.8(19) . . . . ?
Co5 C42 C43 C48 124.4(12) . . . . ?
C41 C42 C43 Co5 57.0(8) . . . . ?
C47 C42 C43 Co5 -129.2(11) . . . . ?
C42 C43 C44 C45 2.7(13) . . . . ?
C48 C43 C44 C45 177.3(10) . . . . ?
Co5 C43 C44 C45 -59.2(8) . . . . ?
C42 C43 C44 C49 -173.8(11) . . . . ?
C48 C43 C44 C49 0.8(19) . . . . ?
Co5 C43 C44 C49 124.3(12) . . . . ?
C42 C43 C44 Co5 61.9(8) . . . . ?
C48 C43 C44 Co5 -123.5(11) . . . . ?
C43 C44 C45 C41 -0.2(12) . . . . ?
C49 C44 C45 C41 176.3(11) . . . . ?
Co5 C44 C45 C41 -58.6(7) . . . . ?
C43 C44 C45 C50 -175.8(11) . . . . ?
C49 C44 C45 C50 0.8(19) . . . . ?
Co5 C44 C45 C50 125.8(11) . . . . ?
C43 C44 C45 Co5 58.4(8) . . . . ?
C49 C44 C45 Co5 -125.0(12) . . . . ?
C42 C41 C45 C44 -2.3(12) . . . . ?
C46 C41 C45 C44 -176.8(10) . . . . ?
Co5 C41 C45 C44 59.9(7) . . . . ?
C42 C41 C45 C50 173.4(10) . . . . ?
C46 C41 C45 C50 -1.1(17) . . . . ?
Co5 C41 C45 C50 -124.3(11) . . . . ?
C42 C41 C45 Co5 -62.3(7) . . . . ?
C46 C41 C45 Co5 123.2(11) . . . . ?
C55 C51 C52 C53 -0.2(13) . . . . ?
C56 C51 C52 C53 177.4(11) . . . . ?
Co6 C51 C52 C53 -60.0(8) . . . . ?
C55 C51 C52 C57 -177.8(10) . . . . ?
C56 C51 C52 C57 -0.2(19) . . . . ?
Co6 C51 C52 C57 122.3(11) . . . . ?
C55 C51 C52 Co6 59.9(8) . . . . ?
C56 C51 C52 Co6 -122.5(12) . . . . ?
C51 C52 C53 C54 -1.2(13) . . . . ?
C57 C52 C53 C54 176.4(11) . . . . ?
Co6 C52 C53 C54 -61.6(8) . . . . ?
C51 C52 C53 C58 -176.5(11) . . . . ?
C57 C52 C53 C58 1.1(19) . . . . ?
Co6 C52 C53 C58 123.1(12) . . . . ?
C51 C52 C53 Co6 60.4(8) . . . . ?
C57 C52 C53 Co6 -122.0(12) . . . . ?
C52 C53 C54 C55 2.1(13) . . . . ?
C58 C53 C54 C55 177.3(11) . . . . ?
Co6 C53 C54 C55 -58.6(8) . . . . ?
C52 C53 C54 C59 -173.9(11) . . . . ?
C58 C53 C54 C59 1(2) . . . . ?
Co6 C53 C54 C59 125.3(12) . . . . ?
C52 C53 C54 Co6 60.7(8) . . . . ?
C58 C53 C54 Co6 -124.1(12) . . . . ?
C53 C54 C55 C51 -2.2(13) . . . . ?
C59 C54 C55 C51 173.9(11) . . . . ?
Co6 C54 C55 C51 -60.6(8) . . . . ?
C53 C54 C55 C60 -177.4(12) . . . . ?
C59 C54 C55 C60 -1(2) . . . . ?
Co6 C54 C55 C60 124.1(13) . . . . ?
C53 C54 C55 Co6 58.4(8) . . . . ?
C59 C54 C55 Co6 -125.5(12) . . . . ?
C52 C51 C55 C54 1.4(13) . . . . ?
C56 C51 C55 C54 -176.2(11) . . . . ?
Co6 C51 C55 C54 61.2(8) . . . . ?
C52 C51 C55 C60 176.9(11) . . . . ?
C56 C51 C55 C60 -0.8(19) . . . . ?
Co6 C51 C55 C60 -123.4(12) . . . . ?
C52 C51 C55 Co6 -59.8(8) . . . . ?
C56 C51 C55 Co6 122.6(12) . . . . ?
C65 C61 C62 C63 -0.3(14) . . . . ?
C66 C61 C62 C63 172.8(11) . . . . ?
Co7 C61 C62 C63 -61.4(8) . . . . ?
C65 C61 C62 C67 -169.9(11) . . . . ?
C66 C61 C62 C67 3(2) . . . . ?
Co7 C61 C62 C67 129.0(13) . . . . ?
C65 C61 C62 Co7 61.1(9) . . . . ?
C66 C61 C62 Co7 -125.8(13) . . . . ?
C61 C62 C63 C64 0.1(13) . . . . ?
C67 C62 C63 C64 170.1(11) . . . . ?
Co7 C62 C63 C64 -61.5(8) . . . . ?
C61 C62 C63 C68 -173.2(11) . . . . ?
C67 C62 C63 C68 -3.3(19) . . . . ?
Co7 C62 C63 C68 125.1(12) . . . . ?
C61 C62 C63 Co7 61.6(8) . . . . ?
C67 C62 C63 Co7 -128.4(12) . . . . ?
C62 C63 C64 C65 0.0(12) . . . . ?
C68 C63 C64 C65 173.1(12) . . . . ?
Co7 C63 C64 C65 -61.0(8) . . . . ?
C62 C63 C64 C69 -168.8(10) . . . . ?
C68 C63 C64 C69 4.3(18) . . . . ?
Co7 C63 C64 C69 130.2(11) . . . . ?
C62 C63 C64 Co7 61.0(8) . . . . ?
C68 C63 C64 Co7 -125.9(12) . . . . ?
C62 C61 C65 C64 0.3(14) . . . . ?
C66 C61 C65 C64 -173.0(11) . . . . ?
Co7 C61 C65 C64 60.6(8) . . . . ?
C62 C61 C65 C70 174.8(11) . . . . ?
C66 C61 C65 C70 1.5(19) . . . . ?
Co7 C61 C65 C70 -124.9(12) . . . . ?
C62 C61 C65 Co7 -60.3(8) . . . . ?
C66 C61 C65 Co7 126.4(12) . . . . ?
C63 C64 C65 C61 -0.2(13) . . . . ?
C69 C64 C65 C61 167.7(11) . . . . ?
Co7 C64 C65 C61 -61.4(8) . . . . ?
C63 C64 C65 C70 -174.7(11) . . . . ?
C69 C64 C65 C70 -6.8(19) . . . . ?
Co7 C64 C65 C70 124.2(12) . . . . ?
C63 C64 C65 Co7 61.2(8) . . . . ?
C69 C64 C65 Co7 -130.9(12) . . . . ?
C75 C71 C72 C73 0.0(12) . . . . ?
C76 C71 C72 C73 178.5(10) . . . . ?
Co8 C71 C72 C73 -60.1(7) . . . . ?
C75 C71 C72 C77 -178.9(10) . . . . ?
C76 C71 C72 C77 -0.4(17) . . . . ?
Co8 C71 C72 C77 120.9(11) . . . . ?
C75 C71 C72 Co8 60.2(7) . . . . ?
C76 C71 C72 Co8 -121.3(10) . . . . ?
C71 C72 C73 C74 -0.1(12) . . . . ?
C77 C72 C73 C74 178.8(10) . . . . ?
Co8 C72 C73 C74 -59.7(8) . . . . ?
C71 C72 C73 C78 -178.6(11) . . . . ?
C77 C72 C73 C78 0.3(18) . . . . ?
Co8 C72 C73 C78 121.8(12) . . . . ?
C71 C72 C73 Co8 59.6(7) . . . . ?
C77 C72 C73 Co8 -121.5(11) . . . . ?
C72 C73 C74 C75 0.2(13) . . . . ?
C78 C73 C74 C75 178.6(11) . . . . ?
Co8 C73 C74 C75 -59.2(8) . . . . ?
C72 C73 C74 C79 -177.3(11) . . . . ?
C78 C73 C74 C79 1.2(19) . . . . ?
Co8 C73 C74 C79 123.3(12) . . . . ?
C72 C73 C74 Co8 59.4(8) . . . . ?
C78 C73 C74 Co8 -122.2(12) . . . . ?
C72 C71 C75 C74 0.1(12) . . . . ?
C76 C71 C75 C74 -178.4(10) . . . . ?
Co8 C71 C75 C74 60.4(8) . . . . ?
C72 C71 C75 C80 176.5(10) . . . . ?
C76 C71 C75 C80 -2.0(18) . . . . ?
Co8 C71 C75 C80 -123.2(11) . . . . ?
C72 C71 C75 Co8 -60.3(7) . . . . ?
C76 C71 C75 Co8 121.2(11) . . . . ?
C73 C74 C75 C71 -0.2(13) . . . . ?
C79 C74 C75 C71 177.3(11) . . . . ?
Co8 C74 C75 C71 -60.0(8) . . . . ?
C73 C74 C75 C80 -176.5(11) . . . . ?
C79 C74 C75 C80 1.0(19) . . . . ?
Co8 C74 C75 C80 123.7(12) . . . . ?
C73 C74 C75 Co8 59.8(8) . . . . ?
C79 C74 C75 Co8 -122.7(12) . . . . ?
B14 B10 B11 B17 -99.2(9) . . . . ?
Co6 B10 B11 B17 -28.9(7) . . . . ?
Co8 B10 B11 B17 -149.5(7) . . . . ?
B14 B10 B11 B12 2.5(11) . . . . ?
B17 B10 B11 B12 101.7(9) . . . . ?
Co6 B10 B11 B12 72.8(10) . . . . ?
Co8 B10 B11 B12 -47.8(7) . . . . ?
B14 B10 B11 Co8 50.3(7) . . . . ?
B17 B10 B11 Co8 149.5(7) . . . . ?
Co6 B10 B11 Co8 120.6(7) . . . . ?
B14 B10 B11 Fe2 -68.4(11) . . . . ?
B17 B10 B11 Fe2 30.7(8) . . . . ?
Co6 B10 B11 Fe2 1.8(12) . . . . ?
Co8 B10 B11 Fe2 -118.8(8) . . . . ?
B14 B10 B11 Co5 -149.0(7) . . . . ?
B17 B10 B11 Co5 -49.8(7) . . . . ?
Co6 B10 B11 Co5 -78.7(8) . . . . ?
Co8 B10 B11 Co5 160.7(7) . . . . ?
B17 B11 B12 B18 -90.1(11) . . . . ?
B10 B11 B12 B18 -156.4(10) . . . . ?
Co8 B11 B12 B18 154.1(10) . . . . ?
Fe2 B11 B12 B18 -39.4(8) . . . . ?
Co5 B11 B12 B18 -14.0(15) . . . . ?
B17 B11 B12 B13 66.0(11) . . . . ?
B10 B11 B12 B13 -0.3(11) . . . . ?
Co8 B11 B12 B13 -49.9(7) . . . . ?
Fe2 B11 B12 B13 116.7(8) . . . . ?
Co5 B11 B12 B13 142.1(9) . . . . ?
B17 B11 B12 Co8 115.8(8) . . . . ?
B10 B11 B12 Co8 49.6(7) . . . . ?
Fe2 B11 B12 Co8 166.5(5) . . . . ?
Co5 B11 B12 Co8 -168.0(10) . . . . ?
B17 B11 B12 Fe2 -50.7(7) . . . . ?
B10 B11 B12 Fe2 -117.0(8) . . . . ?
Co8 B11 B12 Fe2 -166.5(5) . . . . ?
Co5 B11 B12 Fe2 25.5(8) . . . . ?
B17 B11 B12 Co7 -7.0(12) . . . . ?
B10 B11 B12 Co7 -73.3(10) . . . . ?
Co8 B11 B12 Co7 -122.9(8) . . . . ?
Fe2 B11 B12 Co7 43.6(7) . . . . ?
Co5 B11 B12 Co7 69.1(12) . . . . ?
B18 B12 B13 B15 87.6(14) . . . . ?
B11 B12 B13 B15 -63.8(11) . . . . ?
Co8 B12 B13 B15 -112.6(8) . . . . ?
Fe2 B12 B13 B15 6.1(12) . . . . ?
Co7 B12 B13 B15 53.3(7) . . . . ?
B18 B12 B13 B14 149.4(12) . . . . ?
B11 B12 B13 B14 -2.0(12) . . . . ?
Co8 B12 B13 B14 -50.8(7) . . . . ?
Fe2 B12 B13 B14 67.9(11) . . . . ?
Co7 B12 B13 B14 115.1(9) . . . . ?
B18 B12 B13 Co8 -159.8(13) . . . . ?
B11 B12 B13 Co8 48.8(7) . . . . ?
Fe2 B12 B13 Co8 118.7(8) . . . . ?
Co7 B12 B13 Co8 165.9(6) . . . . ?
B18 B12 B13 Co7 34.3(12) . . . . ?
B11 B12 B13 Co7 -117.1(8) . . . . ?
Co8 B12 B13 Co7 -165.9(6) . . . . ?
Fe2 B12 B13 Co7 -47.2(7) . . . . ?
B11 B10 B14 B15 60.5(11) . . . . ?
B17 B10 B14 B15 0.7(11) . . . . ?
Co6 B10 B14 B15 -46.3(7) . . . . ?
Co8 B10 B14 B15 108.9(8) . . . . ?
B11 B10 B14 B13 -3.8(12) . . . . ?
B17 B10 B14 B13 -63.6(11) . . . . ?
Co6 B10 B14 B13 -110.6(9) . . . . ?
Co8 B10 B14 B13 44.6(8) . . . . ?
B11 B10 B14 Co6 106.8(8) . . . . ?
B17 B10 B14 Co6 47.0(6) . . . . ?
Co8 B10 B14 Co6 155.2(6) . . . . ?
B11 B10 B14 Co8 -48.5(7) . . . . ?
B17 B10 B14 Co8 -108.2(8) . . . . ?
Co6 B10 B14 Co8 -155.2(6) . . . . ?
B12 B13 B14 B15 -98.4(10) . . . . ?
Co8 B13 B14 B15 -146.6(8) . . . . ?
Co7 B13 B14 B15 -30.2(8) . . . . ?
B15 B13 B14 B10 101.9(10) . . . . ?
B12 B13 B14 B10 3.6(12) . . . . ?
Co8 B13 B14 B10 -44.7(7) . . . . ?
Co7 B13 B14 B10 71.7(11) . . . . ?
B15 B13 B14 Co6 32.5(8) . . . . ?
B12 B13 B14 Co6 -65.9(10) . . . . ?
Co8 B13 B14 Co6 -114.1(7) . . . . ?
Co7 B13 B14 Co6 2.2(12) . . . . ?
B15 B13 B14 Co8 146.6(8) . . . . ?
B12 B13 B14 Co8 48.2(7) . . . . ?
Co7 B13 B14 Co8 116.4(8) . . . . ?
B10 B14 B15 B13 -101.9(10) . . . . ?
Co6 B14 B15 B13 -147.8(8) . . . . ?
Co8 B14 B15 B13 -32.9(8) . . . . ?
B10 B14 B15 B16 0.1(12) . . . . ?
B13 B14 B15 B16 101.9(10) . . . . ?
Co6 B14 B15 B16 -45.8(7) . . . . ?
Co8 B14 B15 B16 69.0(11) . . . . ?
B10 B14 B15 Co6 45.9(7) . . . . ?
B13 B14 B15 Co6 147.8(8) . . . . ?
Co8 B14 B15 Co6 114.9(8) . . . . ?
B10 B14 B15 Co7 -72.1(11) . . . . ?
B13 B14 B15 Co7 29.7(8) . . . . ?
Co6 B14 B15 Co7 -118.1(8) . . . . ?
Co8 B14 B15 Co7 -3.2(12) . . . . ?
B12 B13 B15 B14 100.1(9) . . . . ?
Co8 B13 B15 B14 34.4(8) . . . . ?
Co7 B13 B15 B14 151.4(8) . . . . ?
B14 B13 B15 B16 -102.6(10) . . . . ?
B12 B13 B15 B16 -2.5(11) . . . . ?
Co8 B13 B15 B16 -68.2(11) . . . . ?
Co7 B13 B15 B16 48.8(7) . . . . ?
B14 B13 B15 Co6 -33.3(8) . . . . ?
B12 B13 B15 Co6 66.8(10) . . . . ?
Co8 B13 B15 Co6 1.1(12) . . . . ?
Co7 B13 B15 Co6 118.1(8) . . . . ?
B14 B13 B15 Co7 -151.4(8) . . . . ?
B12 B13 B15 Co7 -51.3(7) . . . . ?
Co8 B13 B15 Co7 -117.0(8) . . . . ?
B14 B15 B16 B17 -0.8(11) . . . . ?
B13 B15 B16 B17 64.1(10) . . . . ?
Co6 B15 B16 B17 -47.9(6) . . . . ?
Co7 B15 B16 B17 112.7(7) . . . . ?
B14 B15 B16 Co6 47.1(7) . . . . ?
B13 B15 B16 Co6 112.0(8) . . . . ?
Co7 B15 B16 Co6 160.6(5) . . . . ?
B14 B15 B16 Fe2 -66.3(11) . . . . ?
B13 B15 B16 Fe2 -1.4(12) . . . . ?
Co6 B15 B16 Fe2 -113.4(7) . . . . ?
Co7 B15 B16 Fe2 47.2(6) . . . . ?
B14 B15 B16 Co7 -113.5(8) . . . . ?
B13 B15 B16 Co7 -48.6(7) . . . . ?
Co6 B15 B16 Co7 -160.6(5) . . . . ?
B12 B11 B17 B10 -101.2(9) . . . . ?
Co8 B11 B17 B10 -32.6(8) . . . . ?
Fe2 B11 B17 B10 -151.4(7) . . . . ?
Co5 B11 B17 B10 129.2(7) . . . . ?
B10 B11 B17 B16 102.1(9) . . . . ?
B12 B11 B17 B16 0.9(11) . . . . ?
Co8 B11 B17 B16 69.4(10) . . . . ?
Fe2 B11 B17 B16 -49.3(7) . . . . ?
Co5 B11 B17 B16 -128.7(8) . . . . ?
B10 B11 B17 Co6 31.7(8) . . . . ?
B12 B11 B17 Co6 -69.5(10) . . . . ?
Co8 B11 B17 Co6 -0.9(12) . . . . ?
Fe2 B11 B17 Co6 -119.7(8) . . . . ?
Co5 B11 B17 Co6 161.0(8) . . . . ?
B10 B11 B17 Fe2 151.4(7) . . . . ?
B12 B11 B17 Fe2 50.2(7) . . . . ?
Co8 B11 B17 Fe2 118.8(8) . . . . ?
Co5 B11 B17 Fe2 -79.3(3) . . . . ?
B10 B11 B17 Co5 -129.2(7) . . . . ?
B12 B11 B17 Co5 129.6(8) . . . . ?
Co8 B11 B17 Co5 -161.9(8) . . . . ?
Fe2 B11 B17 Co5 79.3(3) . . . . ?
B14 B10 B17 B11 100.6(9) . . . . ?
Co6 B10 B17 B11 149.5(8) . . . . ?
Co8 B10 B17 B11 29.5(7) . . . . ?
B11 B10 B17 B16 -101.8(9) . . . . ?
B14 B10 B17 B16 -1.2(11) . . . . ?
Co6 B10 B17 B16 47.7(7) . . . . ?
Co8 B10 B17 B16 -72.3(9) . . . . ?
B11 B10 B17 Co6 -149.5(8) . . . . ?
B14 B10 B17 Co6 -49.0(7) . . . . ?
Co8 B10 B17 Co6 -120.0(7) . . . . ?
B11 B10 B17 Fe2 -30.5(8) . . . . ?
B14 B10 B17 Fe2 70.1(10) . . . . ?
Co6 B10 B17 Fe2 119.0(8) . . . . ?
Co8 B10 B17 Fe2 -1.0(11) . . . . ?
B11 B10 B17 Co5 48.3(7) . . . . ?
B14 B10 B17 Co5 148.8(7) . . . . ?
Co6 B10 B17 Co5 -162.2(7) . . . . ?
Co8 B10 B17 Co5 77.7(8) . . . . ?
B15 B16 B17 B11 -63.6(10) . . . . ?
Co6 B16 B17 B11 -113.3(8) . . . . ?
Fe2 B16 B17 B11 50.3(7) . . . . ?
Co7 B16 B17 B11 4.9(11) . . . . ?
B15 B16 B17 B10 1.2(11) . . . . ?
Co6 B16 B17 B10 -48.5(7) . . . . ?
Fe2 B16 B17 B10 115.1(8) . . . . ?
Co7 B16 B17 B10 69.7(10) . . . . ?
B15 B16 B17 Co6 49.7(6) . . . . ?
Fe2 B16 B17 Co6 163.6(5) . . . . ?
Co7 B16 B17 Co6 118.2(7) . . . . ?
B15 B16 B17 Fe2 -113.8(8) . . . . ?
Co6 B16 B17 Fe2 -163.6(5) . . . . ?
Co7 B16 B17 Fe2 -45.3(6) . . . . ?
B15 B16 B17 Co5 -138.8(9) . . . . ?
Co6 B16 B17 Co5 171.4(10) . . . . ?
Fe2 B16 B17 Co5 -25.0(8) . . . . ?
Co7 B16 B17 Co5 -70.3(12) . . . . ?
B13 B12 B18 Fe2 -110.4(12) . . . . ?
B11 B12 B18 Fe2 39.2(8) . . . . ?
Co8 B12 B18 Fe2 122(2) . . . . ?
Co7 B12 B18 Fe2 -77.4(3) . . . . ?
B13 B12 B18 Co7 -33.0(11) . . . . ?
B11 B12 B18 Co7 116.6(9) . . . . ?
Co8 B12 B18 Co7 -160(2) . . . . ?
Fe2 B12 B18 Co7 77.4(3) . . . . ?

_refine_diff_density_max         2.374
_refine_diff_density_min         -1.858
_refine_diff_density_rms         0.167


# start Validation Reply Form
_vrf_PLAT341_DG13R               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01757 Ang.  
RESPONSE: This could be due to the nonmerohedral twinning
present.
;
# end Validation Reply Form

####################################################################### 
# 
# 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_cofeb
_database_code_depnum_ccdc_archive 'CCDC 2498867'
loop_
_audit_author_name
_audit_author_address
'Dr. Elias Jesu Packiam'
;IIT MADRAS
India
;
_audit_update_record             
;
2025-10-29 deposited with the CCDC.	2025-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H54 B7 Co3'
_chemical_formula_weight         667.19

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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

_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+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   8.3355(13)
_cell_length_b                   18.415(3)
_cell_length_c                   11.3221(18)
_cell_angle_alpha                90
_cell_angle_beta                 108.900(5)
_cell_angle_gamma                90
_cell_volume                     1644.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    302(2)
_cell_measurement_reflns_used    5544
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      24.2

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_F_000             700
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.515
_shelx_estimated_absorpt_T_min   0.915
_shelx_estimated_absorpt_T_max   0.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      302(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed micro focus tbe'
_diffrn_measurement_device_type  'Bruker Apex3 CMOS'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39914
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_av_R_equivalents  0.1163
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.901
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2984
_reflns_number_gt                2252
_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       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_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)+(0.0463P)²+5.3775P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2984
_refine_ls_number_parameters     203
_refine_ls_number_restraints     150
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0639
_refine_ls_wR_factor_ref         0.1600
_refine_ls_wR_factor_gt          0.1461
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.000
_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
C1 C 0.4330(8) 0.4158(4) 0.8810(7) 0.076(2) Uani 1 1 d D U . . .
C2 C 0.5642(10) 0.3755(4) 0.9667(6) 0.079(2) Uani 1 1 d D U . . .
C3 C 0.7015(8) 0.3723(4) 0.9207(6) 0.0697(18) Uani 1 1 d D U . . .
C4 C 0.6571(8) 0.4088(3) 0.8062(6) 0.0635(17) Uani 1 1 d D U . . .
C5 C 0.4908(9) 0.4353(3) 0.7793(6) 0.0685(18) Uani 1 1 d D U . . .
C6 C 0.2715(10) 0.4397(5) 0.8985(9) 0.133(4) Uani 1 1 d D U . . .
H6A H 0.223529 0.400082 0.930929 0.200 Uiso 1 1 calc R U . . .
H6B H 0.193278 0.454783 0.819736 0.200 Uiso 1 1 calc R U . . .
H6C H 0.293748 0.479551 0.956174 0.200 Uiso 1 1 calc R U . . .
C7 C 0.5614(12) 0.3484(6) 1.0912(7) 0.136(4) Uani 1 1 d D U . . .
H7A H 0.660160 0.319306 1.129120 0.204 Uiso 1 1 calc R U . . .
H7B H 0.461393 0.319682 1.079724 0.204 Uiso 1 1 calc R U . . .
H7C H 0.560671 0.389038 1.144197 0.204 Uiso 1 1 calc R U . . .
C8 C 0.8755(9) 0.3430(5) 0.9891(7) 0.111(3) Uani 1 1 d D U . . .
H8A H 0.920523 0.319613 0.930865 0.167 Uiso 1 1 calc R U . . .
H8B H 0.868106 0.308485 1.050694 0.167 Uiso 1 1 calc R U . . .
H8C H 0.948808 0.382183 1.029405 0.167 Uiso 1 1 calc R U . . .
C9 C 0.7701(9) 0.4206(4) 0.7283(7) 0.098(3) Uani 1 1 d D U . . .
H9A H 0.852271 0.457377 0.766178 0.147 Uiso 1 1 calc R U . . .
H9B H 0.702982 0.435879 0.646099 0.147 Uiso 1 1 calc R U . . .
H9C H 0.827249 0.376099 0.722910 0.147 Uiso 1 1 calc R U . . .
C10 C 0.4035(10) 0.4834(4) 0.6724(8) 0.110(3) Uani 1 1 d D U . . .
H10A H 0.470822 0.526108 0.675408 0.164 Uiso 1 1 calc R U . . .
H10B H 0.294742 0.497223 0.677269 0.164 Uiso 1 1 calc R U . . .
H10C H 0.388534 0.458055 0.595495 0.164 Uiso 1 1 calc R U . . .
C11 C -0.0627(8) 0.2126(3) 0.3993(6) 0.0686(19) Uani 1 1 d D . . . .
C12 C 0.0660(9) 0.1871(3) 0.3562(5) 0.0651(19) Uani 1 1 d D . . . .
C13 C 0.1506(12) 0.250000 0.3292(8) 0.078(3) Uani 1 2 d DS T P . .
C14 C -0.1857(11) 0.1652(5) 0.4376(8) 0.108(3) Uani 1 1 d D . . . .
H14A H -0.230295 0.191843 0.492913 0.162 Uiso 1 1 calc R U . . .
H14B H -0.127884 0.122698 0.479451 0.162 Uiso 1 1 calc R U . . .
H14C H -0.277058 0.150972 0.364751 0.162 Uiso 1 1 calc R U . . .
C15 C 0.1077(15) 0.1105(4) 0.3372(8) 0.139(5) Uani 1 1 d D . . . .
H15A H 0.097595 0.081251 0.404656 0.208 Uiso 1 1 calc R U . . .
H15B H 0.221735 0.107789 0.335104 0.208 Uiso 1 1 calc R U . . .
H15C H 0.030726 0.092967 0.259716 0.208 Uiso 1 1 calc R U . . .
C16 C 0.2917(16) 0.250000 0.2758(11) 0.154(8) Uani 1 2 d DS T P . .
H16A H 0.324912 0.299115 0.267168 0.230 Uiso 0.5 1 calc R U P . .
H16B H 0.386535 0.223855 0.330288 0.230 Uiso 0.5 1 calc R U P . .
H16C H 0.254768 0.227031 0.195320 0.230 Uiso 0.5 1 calc R U P . .
B1 B 0.5731(13) 0.250000 0.6894(9) 0.052(2) Uani 1 2 d DS TU P . .
H1 H 0.706359 0.250000 0.692502 0.063 Uiso 1 2 calc R U P . .
B2 B 0.1295(11) 0.250000 0.6769(7) 0.041(2) Uani 1 2 d S T P . .
H2 H 0.002179 0.250000 0.686303 0.050 Uiso 1 2 calc R U P . .
B3 B 0.2908(13) 0.250000 0.8007(9) 0.052(2) Uani 1 2 d DS TU P . .
H3 H 0.280796 0.250000 0.895208 0.062 Uiso 1 2 calc R U P . .
B4 B 0.2348(9) 0.1800(4) 0.6658(6) 0.0529(17) Uani 1 1 d . . . . .
H4 H 0.173690 0.126334 0.654245 0.063 Uiso 1 1 calc R U . . .
B5 B 0.4033(9) 0.2007(4) 0.5978(6) 0.0506(16) Uani 1 1 d . . . . .
H5 H 0.433388 0.162294 0.533495 0.061 Uiso 1 1 calc R U . . .
Co1 Co 0.48590(10) 0.32324(4) 0.79283(7) 0.0489(3) Uani 1 1 d . . . . .
Co2 Co 0.17009(14) 0.250000 0.51485(9) 0.0480(3) Uani 1 2 d S T P . .
H1A H 0.619(9) 0.250000 0.797(2) 0.053(11) Uiso 1 2 d DS U P . .
H3A H 0.439(3) 0.250000 0.840(7) 0.059(11) Uiso 1 2 d DS U P . .


_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
C1 C2 1.414(9) . ?
C1 C5 1.430(9) . ?
C1 C6 1.489(9) . ?
C1 Co1 2.092(6) . ?
C2 C3 1.404(9) . ?
C2 C7 1.502(9) . ?
C2 Co1 2.097(6) . ?
C3 C4 1.399(8) . ?
C3 C8 1.506(9) . ?
C3 Co1 2.111(6) . ?
C4 C5 1.407(8) . ?
C4 C9 1.500(9) . ?
C4 Co1 2.098(6) . ?
C5 C10 1.487(9) . ?
C5 Co1 2.070(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C11 1.376(12) 4_565 ?
C11 C12 1.396(9) . ?
C11 C14 1.514(9) . ?
C11 Co2 2.075(6) . ?
C12 C13 1.439(8) . ?
C12 C15 1.485(9) . ?
C12 Co2 2.076(6) . ?
C13 C16 1.487(12) . ?
C13 Co2 2.055(8) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 H16A 0.9600 4_565 ?
C16 H16B 0.9600 4_565 ?
C16 H16C 0.9600 4_565 ?
B1 B5 1.719(11) . ?
B1 B5 1.719(11) 4_565 ?
B1 Co1 2.066(8) 4_565 ?
B1 Co1 2.066(8) . ?
B1 H1 1.1000 . ?
B1 H1A 1.16(2) . ?
B2 B4 1.587(9) 4_565 ?
B2 B4 1.587(9) . ?
B2 B3 1.597(13) . ?
B2 Co2 1.971(9) . ?
B2 H2 1.1000 . ?
B3 B4 1.936(10) 4_565 ?
B3 B4 1.936(10) . ?
B3 Co1 2.137(8) 4_565 ?
B3 Co1 2.137(8) . ?
B3 H3 1.1000 . ?
B3 H3A 1.17(2) . ?
B4 B5 1.847(10) . ?
B4 Co2 2.068(7) . ?
B4 Co1 2.122(7) 4_565 ?
B4 H4 1.1000 . ?
B5 B5 1.817(14) 4_565 ?
B5 Co2 2.075(7) . ?
B5 Co1 2.135(6) 4_565 ?
B5 H5 1.1000 . ?
Co1 Co1 2.6973(17) 4_565 ?
Co1 H1A 1.73(5) . ?
Co1 H3A 1.55(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
C2 C1 C5 107.3(5) . . ?
C2 C1 C6 126.5(7) . . ?
C5 C1 C6 126.0(7) . . ?
C2 C1 Co1 70.4(4) . . ?
C5 C1 Co1 69.1(4) . . ?
C6 C1 Co1 130.0(5) . . ?
C3 C2 C1 108.0(5) . . ?
C3 C2 C7 126.6(7) . . ?
C1 C2 C7 125.0(7) . . ?
C3 C2 Co1 71.1(3) . . ?
C1 C2 Co1 70.1(4) . . ?
C7 C2 Co1 129.3(6) . . ?
C4 C3 C2 108.7(5) . . ?
C4 C3 C8 124.8(7) . . ?
C2 C3 C8 126.1(7) . . ?
C4 C3 Co1 70.1(3) . . ?
C2 C3 Co1 69.9(3) . . ?
C8 C3 Co1 131.5(5) . . ?
C3 C4 C5 108.3(5) . . ?
C3 C4 C9 125.9(6) . . ?
C5 C4 C9 125.8(6) . . ?
C3 C4 Co1 71.1(3) . . ?
C5 C4 Co1 69.2(3) . . ?
C9 C4 Co1 127.5(5) . . ?
C4 C5 C1 107.7(5) . . ?
C4 C5 C10 124.8(7) . . ?
C1 C5 C10 127.0(7) . . ?
C4 C5 Co1 71.4(4) . . ?
C1 C5 Co1 70.8(4) . . ?
C10 C5 Co1 129.7(5) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C11 C12 109.7(4) 4_565 . ?
C11 C11 C14 125.2(5) 4_565 . ?
C12 C11 C14 125.1(7) . . ?
C11 C11 Co2 70.63(17) 4_565 . ?
C12 C11 Co2 70.4(4) . . ?
C14 C11 Co2 126.3(5) . . ?
C11 C12 C13 106.7(6) . . ?
C11 C12 C15 127.8(8) . . ?
C13 C12 C15 125.5(8) . . ?
C11 C12 Co2 70.3(3) . . ?
C13 C12 Co2 68.8(4) . . ?
C15 C12 Co2 127.1(5) . . ?
C12 C13 C12 107.2(8) . 4_565 ?
C12 C13 C16 126.4(4) . . ?
C12 C13 C16 126.4(4) 4_565 . ?
C12 C13 Co2 70.4(4) . . ?
C12 C13 Co2 70.4(4) 4_565 . ?
C16 C13 Co2 127.3(7) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C16 H16A 109.47(2) . 4_565 ?
H16A C16 H16A 140.8 . 4_565 ?
H16B C16 H16A 52.3 . 4_565 ?
H16C C16 H16A 60.2 . 4_565 ?
C13 C16 H16B 109.5(5) . 4_565 ?
H16A C16 H16B 52.3 . 4_565 ?
H16B C16 H16B 60.2 . 4_565 ?
H16C C16 H16B 140.8 . 4_565 ?
H16A C16 H16B 109.5 4_565 4_565 ?
C13 C16 H16C 109.5(5) . 4_565 ?
H16A C16 H16C 60.2 . 4_565 ?
H16B C16 H16C 140.8 . 4_565 ?
H16C C16 H16C 52.3 . 4_565 ?
H16A C16 H16C 109.5 4_565 4_565 ?
H16B C16 H16C 109.5 4_565 4_565 ?
B5 B1 B5 63.8(6) . 4_565 ?
B5 B1 Co1 68.0(3) . 4_565 ?
B5 B1 Co1 108.4(6) 4_565 4_565 ?
B5 B1 Co1 108.4(6) . . ?
B5 B1 Co1 68.0(3) 4_565 . ?
Co1 B1 Co1 81.5(4) 4_565 . ?
B5 B1 H1 130.2 . . ?
B5 B1 H1 130.2 4_565 . ?
Co1 B1 H1 121.3 4_565 . ?
Co1 B1 H1 121.3 . . ?
B5 B1 H1A 124(3) . . ?
B5 B1 H1A 124(3) 4_565 . ?
Co1 B1 H1A 57(2) 4_565 . ?
Co1 B1 H1A 57(2) . . ?
H1 B1 H1A 89.1 . . ?
B4 B2 B4 108.6(8) 4_565 . ?
B4 B2 B3 74.9(5) 4_565 . ?
B4 B2 B3 74.9(5) . . ?
B4 B2 Co2 70.1(4) 4_565 . ?
B4 B2 Co2 70.1(4) . . ?
B3 B2 Co2 117.8(6) . . ?
B4 B2 H2 125.7 4_565 . ?
B4 B2 H2 125.7 . . ?
B3 B2 H2 118.7 . . ?
Co2 B2 H2 123.5 . . ?
B2 B3 B4 52.3(4) . 4_565 ?
B2 B3 B4 52.3(4) . . ?
B4 B3 B4 83.5(6) 4_565 . ?
B2 B3 Co1 113.5(5) . 4_565 ?
B4 B3 Co1 112.3(5) 4_565 4_565 ?
B4 B3 Co1 62.6(3) . 4_565 ?
B2 B3 Co1 113.5(5) . . ?
B4 B3 Co1 62.6(3) 4_565 . ?
B4 B3 Co1 112.3(5) . . ?
Co1 B3 Co1 78.3(4) 4_565 . ?
B2 B3 H3 123.1 . . ?
B4 B3 H3 133.8 4_565 . ?
B4 B3 H3 133.8 . . ?
Co1 B3 H3 109.8 4_565 . ?
Co1 B3 H3 109.8 . . ?
B2 B3 H3A 145(4) . . ?
B4 B3 H3A 105(3) 4_565 . ?
B4 B3 H3A 105(3) . . ?
Co1 B3 H3A 44.9(18) 4_565 . ?
Co1 B3 H3A 45.0(18) . . ?
H3 B3 H3A 91.8 . . ?
B2 B4 B5 112.4(5) . . ?
B2 B4 B3 52.8(4) . . ?
B5 B4 B3 99.8(5) . . ?
B2 B4 Co2 63.7(4) . . ?
B5 B4 Co2 63.7(3) . . ?
B3 B4 Co2 99.7(4) . . ?
B2 B4 Co1 114.7(5) . 4_565 ?
B5 B4 Co1 64.7(3) . 4_565 ?
B3 B4 Co1 63.3(3) . 4_565 ?
Co2 B4 Co1 120.9(3) . 4_565 ?
B2 B4 H4 119.5 . . ?
B5 B4 H4 121.4 . . ?
B3 B4 H4 132.5 . . ?
Co2 B4 H4 118.4 . . ?
Co1 B4 H4 111.9 4_565 . ?
B1 B5 B5 58.1(3) . 4_565 ?
B1 B5 B4 116.5(5) . . ?
B5 B5 B4 101.9(3) 4_565 . ?
B1 B5 Co2 120.6(4) . . ?
B5 B5 Co2 64.0(2) 4_565 . ?
B4 B5 Co2 63.3(3) . . ?
B1 B5 Co1 63.8(4) . 4_565 ?
B5 B5 Co1 101.89(19) 4_565 4_565 ?
B4 B5 Co1 63.9(3) . 4_565 ?
Co2 B5 Co1 120.0(3) . 4_565 ?
B1 B5 H5 114.8 . . ?
B5 B5 H5 130.0 4_565 . ?
B4 B5 H5 120.7 . . ?
Co2 B5 H5 111.3 . . ?
Co1 B5 H5 119.1 4_565 . ?
B1 Co1 C5 126.1(3) . . ?
B1 Co1 C1 165.7(3) . . ?
C5 Co1 C1 40.2(3) . . ?
B1 Co1 C2 140.5(4) . . ?
C5 Co1 C2 66.7(3) . . ?
C1 Co1 C2 39.5(3) . . ?
B1 Co1 C4 100.1(3) . . ?
C5 Co1 C4 39.4(2) . . ?
C1 Co1 C4 66.3(2) . . ?
C2 Co1 C4 65.8(2) . . ?
B1 Co1 C3 106.9(3) . . ?
C5 Co1 C3 65.9(2) . . ?
C1 Co1 C3 65.7(2) . . ?
C2 Co1 C3 39.0(2) . . ?
C4 Co1 C3 38.8(2) . . ?
B1 Co1 B4 92.8(3) . 4_565 ?
C5 Co1 B4 90.9(3) . 4_565 ?
C1 Co1 B4 91.8(3) . 4_565 ?
C2 Co1 B4 126.0(3) . 4_565 ?
C4 Co1 B4 124.6(3) . 4_565 ?
C3 Co1 B4 155.6(3) . 4_565 ?
B1 Co1 B5 48.3(3) . 4_565 ?
C5 Co1 B5 97.8(3) . 4_565 ?
C1 Co1 B5 127.9(3) . 4_565 ?
C2 Co1 B5 164.5(3) . 4_565 ?
C4 Co1 B5 102.3(3) . 4_565 ?
C3 Co1 B5 135.7(3) . 4_565 ?
B4 Co1 B5 51.4(3) 4_565 4_565 ?
B1 Co1 B3 91.4(3) . . ?
C5 Co1 B3 131.7(3) . . ?
C1 Co1 B3 102.3(3) . . ?
C2 Co1 B3 105.1(3) . . ?
C4 Co1 B3 168.5(3) . . ?
C3 Co1 B3 137.1(3) . . ?
B4 Co1 B3 54.1(3) 4_565 . ?
B5 Co1 B3 85.3(3) 4_565 . ?
B1 Co1 Co1 49.25(19) . 4_565 ?
C5 Co1 Co1 175.3(2) . 4_565 ?
C1 Co1 Co1 144.5(2) . 4_565 ?
C2 Co1 Co1 117.3(2) . 4_565 ?
C4 Co1 Co1 138.68(18) . 4_565 ?
C3 Co1 Co1 115.36(19) . 4_565 ?
B4 Co1 Co1 88.4(2) 4_565 4_565 ?
B5 Co1 Co1 78.11(19) 4_565 4_565 ?
B3 Co1 Co1 50.86(18) . 4_565 ?
B1 Co1 H1A 34.0(7) . . ?
C5 Co1 H1A 139(2) . . ?
C1 Co1 H1A 148.2(11) . . ?
C2 Co1 H1A 109.1(10) . . ?
C4 Co1 H1A 100(2) . . ?
C3 Co1 H1A 85.4(16) . . ?
B4 Co1 H1A 118.5(15) 4_565 . ?
B5 Co1 H1A 81.9(8) 4_565 . ?
B3 Co1 H1A 90(2) . . ?
Co1 Co1 H1A 39(2) 4_565 . ?
B1 Co1 H3A 79(2) . . ?
C5 Co1 H3A 155(2) . . ?
C1 Co1 H3A 115(2) . . ?
C2 Co1 H3A 96(3) . . ?
C4 Co1 H3A 150.7(15) . . ?
C3 Co1 H3A 113.0(19) . . ?
B4 Co1 H3A 84.5(14) 4_565 . ?
B5 Co1 H3A 98(3) 4_565 . ?
B3 Co1 H3A 32.2(8) . . ?
Co1 Co1 H3A 29(2) 4_565 . ?
H1A Co1 H3A 63(2) . . ?
B2 Co2 C13 166.3(4) . . ?
B2 Co2 B4 46.2(2) . . ?
C13 Co2 B4 139.3(2) . . ?
B2 Co2 B4 46.2(2) . 4_565 ?
C13 Co2 B4 139.3(2) . 4_565 ?
B4 Co2 B4 77.1(4) . 4_565 ?
B2 Co2 B5 89.8(3) . 4_565 ?
C13 Co2 B5 102.4(3) . 4_565 ?
B4 Co2 B5 86.8(3) . 4_565 ?
B4 Co2 B5 53.0(3) 4_565 4_565 ?
B2 Co2 B5 89.8(3) . . ?
C13 Co2 B5 102.4(3) . . ?
B4 Co2 B5 53.0(3) . . ?
B4 Co2 B5 86.8(3) 4_565 . ?
B5 Co2 B5 52.0(4) 4_565 . ?
B2 Co2 C11 100.4(3) . . ?
C13 Co2 C11 66.8(3) . . ?
B4 Co2 C11 104.8(3) . . ?
B4 Co2 C11 131.9(3) 4_565 . ?
B5 Co2 C11 168.1(3) 4_565 . ?
B5 Co2 C11 133.5(3) . . ?
B2 Co2 C11 100.4(3) . 4_565 ?
C13 Co2 C11 66.8(3) . 4_565 ?
B4 Co2 C11 131.9(3) . 4_565 ?
B4 Co2 C11 104.8(3) 4_565 4_565 ?
B5 Co2 C11 133.5(3) 4_565 4_565 ?
B5 Co2 C11 168.1(3) . 4_565 ?
C11 Co2 C11 38.7(3) . 4_565 ?
B2 Co2 C12 131.0(3) . . ?
C13 Co2 C12 40.8(2) . . ?
B4 Co2 C12 106.9(3) . . ?
B4 Co2 C12 170.6(3) 4_565 . ?
B5 Co2 C12 134.7(3) 4_565 . ?
B5 Co2 C12 102.4(3) . . ?
C11 Co2 C12 39.3(2) . . ?
C11 Co2 C12 66.2(2) 4_565 . ?
B2 Co2 C12 131.0(3) . 4_565 ?
C13 Co2 C12 40.8(2) . 4_565 ?
B4 Co2 C12 170.6(3) . 4_565 ?
B4 Co2 C12 106.9(3) 4_565 4_565 ?
B5 Co2 C12 102.4(3) 4_565 4_565 ?
B5 Co2 C12 134.7(3) . 4_565 ?
C11 Co2 C12 66.2(2) . 4_565 ?
C11 Co2 C12 39.3(2) 4_565 4_565 ?
C12 Co2 C12 67.8(3) . 4_565 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 1.8(7) . . . . ?
C6 C1 C2 C3 -172.8(7) . . . . ?
Co1 C1 C2 C3 61.3(5) . . . . ?
C5 C1 C2 C7 175.8(7) . . . . ?
C6 C1 C2 C7 1.2(12) . . . . ?
Co1 C1 C2 C7 -124.7(8) . . . . ?
C5 C1 C2 Co1 -59.5(4) . . . . ?
C6 C1 C2 Co1 125.9(7) . . . . ?
C1 C2 C3 C4 -1.1(8) . . . . ?
C7 C2 C3 C4 -175.0(7) . . . . ?
Co1 C2 C3 C4 59.5(5) . . . . ?
C1 C2 C3 C8 171.9(7) . . . . ?
C7 C2 C3 C8 -2.0(12) . . . . ?
Co1 C2 C3 C8 -127.4(7) . . . . ?
C1 C2 C3 Co1 -60.7(5) . . . . ?
C7 C2 C3 Co1 125.4(8) . . . . ?
C2 C3 C4 C5 0.0(7) . . . . ?
C8 C3 C4 C5 -173.2(6) . . . . ?
Co1 C3 C4 C5 59.5(4) . . . . ?
C2 C3 C4 C9 177.4(6) . . . . ?
C8 C3 C4 C9 4.3(11) . . . . ?
Co1 C3 C4 C9 -123.1(7) . . . . ?
C2 C3 C4 Co1 -59.5(5) . . . . ?
C8 C3 C4 Co1 127.4(7) . . . . ?
C3 C4 C5 C1 1.2(7) . . . . ?
C9 C4 C5 C1 -176.3(6) . . . . ?
Co1 C4 C5 C1 61.8(4) . . . . ?
C3 C4 C5 C10 173.4(6) . . . . ?
C9 C4 C5 C10 -4.0(11) . . . . ?
Co1 C4 C5 C10 -125.9(7) . . . . ?
C3 C4 C5 Co1 -60.6(4) . . . . ?
C9 C4 C5 Co1 121.9(7) . . . . ?
C2 C1 C5 C4 -1.8(7) . . . . ?
C6 C1 C5 C4 172.8(7) . . . . ?
Co1 C1 C5 C4 -62.2(4) . . . . ?
C2 C1 C5 C10 -173.9(6) . . . . ?
C6 C1 C5 C10 0.8(11) . . . . ?
Co1 C1 C5 C10 125.8(7) . . . . ?
C2 C1 C5 Co1 60.3(5) . . . . ?
C6 C1 C5 Co1 -125.0(7) . . . . ?
C11 C11 C12 C13 0.5(6) 4_565 . . . ?
C14 C11 C12 C13 179.4(7) . . . . ?
Co2 C11 C12 C13 -59.4(5) . . . . ?
C11 C11 C12 C15 -177.9(6) 4_565 . . . ?
C14 C11 C12 C15 1.0(11) . . . . ?
Co2 C11 C12 C15 122.2(7) . . . . ?
C11 C11 C12 Co2 59.92(18) 4_565 . . . ?
C14 C11 C12 Co2 -121.2(6) . . . . ?
C11 C12 C13 C12 -0.8(9) . . . 4_565 ?
C15 C12 C13 C12 177.6(5) . . . 4_565 ?
Co2 C12 C13 C12 -61.2(5) . . . 4_565 ?
C11 C12 C13 C16 -177.2(9) . . . . ?
C15 C12 C13 C16 1.2(13) . . . . ?
Co2 C12 C13 C16 122.4(10) . . . . ?
C11 C12 C13 Co2 60.4(4) . . . . ?
C15 C12 C13 Co2 -121.2(7) . . . . ?
B4 B2 B3 B4 114.5(7) . . . 4_565 ?
Co2 B2 B3 B4 57.3(4) . . . 4_565 ?
B4 B2 B3 B4 -114.5(7) 4_565 . . . ?
Co2 B2 B3 B4 -57.3(4) . . . . ?
B4 B2 B3 Co1 -100.8(5) 4_565 . . 4_565 ?
B4 B2 B3 Co1 13.7(5) . . . 4_565 ?
Co2 B2 B3 Co1 -43.5(3) . . . 4_565 ?
B4 B2 B3 Co1 -13.7(5) 4_565 . . . ?
B4 B2 B3 Co1 100.8(5) . . . . ?
Co2 B2 B3 Co1 43.5(3) . . . . ?
B4 B2 B4 B5 -17.4(8) 4_565 . . . ?
B3 B2 B4 B5 -85.3(6) . . . . ?
Co2 B2 B4 B5 42.4(4) . . . . ?
B4 B2 B4 B3 67.9(6) 4_565 . . . ?
Co2 B2 B4 B3 127.7(5) . . . . ?
B4 B2 B4 Co2 -59.8(5) 4_565 . . . ?
B3 B2 B4 Co2 -127.7(5) . . . . ?
B4 B2 B4 Co1 54.0(7) 4_565 . . 4_565 ?
B3 B2 B4 Co1 -14.0(5) . . . 4_565 ?
Co2 B2 B4 Co1 113.8(4) . . . 4_565 ?
Co1 B1 B5 B5 125.3(4) 4_565 . . 4_565 ?
Co1 B1 B5 B5 52.9(2) . . . 4_565 ?
B5 B1 B5 B4 -87.7(5) 4_565 . . . ?
Co1 B1 B5 B4 37.5(4) 4_565 . . . ?
Co1 B1 B5 B4 -34.9(6) . . . . ?
B5 B1 B5 Co2 -14.5(6) 4_565 . . . ?
Co1 B1 B5 Co2 110.8(4) 4_565 . . . ?
Co1 B1 B5 Co2 38.4(6) . . . . ?
B5 B1 B5 Co1 -125.3(4) 4_565 . . 4_565 ?
Co1 B1 B5 Co1 -72.4(4) . . . 4_565 ?
B2 B4 B5 B1 70.3(7) . . . . ?
B3 B4 B5 B1 16.7(6) . . . . ?
Co2 B4 B5 B1 112.7(5) . . . . ?
Co1 B4 B5 B1 -37.5(4) 4_565 . . . ?
B2 B4 B5 B5 10.3(5) . . . 4_565 ?
B3 B4 B5 B5 -43.4(4) . . . 4_565 ?
Co2 B4 B5 B5 52.66(17) . . . 4_565 ?
Co1 B4 B5 B5 -97.55(17) 4_565 . . 4_565 ?
B2 B4 B5 Co2 -42.4(4) . . . . ?
B3 B4 B5 Co2 -96.1(4) . . . . ?
Co1 B4 B5 Co2 -150.2(3) 4_565 . . . ?
B2 B4 B5 Co1 107.8(5) . . . 4_565 ?
B3 B4 B5 Co1 54.2(3) . . . 4_565 ?
Co2 B4 B5 Co1 150.2(3) . . . 4_565 ?

_refine_diff_density_max         1.150
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.088

