# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_swp60_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2087191'
loop_
_audit_author_name
_audit_author_address
'Tobias Vollgraff'
;Philipps Universitaet Marburg
Germany
;
_audit_update_record             
;
2021-06-01 deposited with the CCDC.	2021-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H44 Co8 N2 O24 Si4, 2(C H2 Cl2)'
_chemical_formula_sum            'C70 H48 Cl4 Co8 N2 O24 Si4'
_chemical_formula_weight         2026.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   8.276(7)
_cell_length_b                   14.505(12)
_cell_length_c                   17.743(14)
_cell_angle_alpha                101.762(19)
_cell_angle_beta                 99.807(18)
_cell_angle_gamma                94.55(3)
_cell_volume                     2040(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9948
_cell_measurement_theta_min      2.3913
_cell_measurement_theta_max      25.0949

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear dark violet'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_F_000             1014
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.413
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.081
_exptl_absorpt_coefficient_mu    1.847
_shelx_estimated_absorpt_T_min   0.516
_shelx_estimated_absorpt_T_max   0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6048
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS Microfocus Source'
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            44042
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.389
_diffrn_reflns_theta_max         25.253
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7323
_reflns_number_gt                5673
_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       'Bruker Instrument Service v3.0.26'
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'DIAMOND 4 (H. Putz, K. Brandenburg, Crystal Impact GbR, Kreuzherrenstr. 102, 53227 Bonn, Germany)'
_computing_publication_material  
; 
'WinGX 2014.1 (L.J. Farrugia, J. Appl. Cryst. 2012, 45, 849-854)'
'enCIFer (F. H. Allen, O. Johnson, G. P. Shields, B. R. Smith, M. Towler, J. Appl. Cryst. 2004, 37, 335-338.)'
;
_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)+(0.0471P)²+5.4523P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7323
_refine_ls_number_parameters     557
_refine_ls_number_restraints     490
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1120
_refine_ls_wR_factor_gt          0.1026
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.113
_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
Co1 Co 0.44837(7) 0.19291(4) 0.24090(3) 0.01658(15) Uani 1 1 d . . . . .
C1 C 0.2809(5) 0.5342(3) 0.2703(2) 0.0101(7) Uani 1 1 d . U . . .
N1 N 0.3048(4) 0.4466(2) 0.23370(19) 0.0099(7) Uani 1 1 d . U . . .
O1 O 0.4277(6) 0.1496(4) 0.3940(3) 0.0687(15) Uani 1 1 d . . . . .
Si1 Si 0.02873(15) 0.09688(8) 0.16931(7) 0.0147(3) Uani 1 1 d . . . . .
Co2 Co 0.33237(7) 0.23315(4) 0.11538(3) 0.01352(15) Uani 1 1 d . U . . .
C2 C 0.1979(5) 0.5512(3) 0.3344(2) 0.0106(6) Uani 1 1 d . U . . .
O2 O 0.7466(4) 0.3327(3) 0.2851(2) 0.0438(10) Uani 1 1 d . . . . .
Si2 Si 0.55078(15) 0.79935(8) 0.33928(7) 0.0176(3) Uani 1 1 d . . . . .
Co4 Co 0.24259(7) 0.69231(4) 0.17139(3) 0.01533(15) Uani 1 1 d . . . . .
C4 C 0.0955(5) 0.6565(3) 0.4360(2) 0.0144(8) Uani 1 1 d . U . . .
H4 H 0.077434 0.718887 0.459381 0.017 Uiso 1 1 calc R U . . .
O4 O 0.3580(4) 0.0648(3) -0.0059(2) 0.0384(9) Uani 1 1 d . U . . .
Co3 Co 0.50362(7) 0.62138(4) 0.17013(3) 0.01453(15) Uani 1 1 d . . . . .
C3 C 0.1684(5) 0.6432(3) 0.3715(2) 0.0134(7) Uani 1 1 d . U . . .
H3 H 0.199759 0.696289 0.351229 0.016 Uiso 1 1 calc R U . . .
O3 O 0.5301(5) 0.0075(3) 0.1630(2) 0.0455(11) Uani 1 1 d . . . . .
O8 O 0.3471(4) 0.4688(2) 0.03357(18) 0.0263(8) Uani 1 1 d . . . . .
C8 C 0.0552(5) 0.3153(3) 0.4228(2) 0.0104(7) Uani 1 1 d . U . . .
H8 H 0.025899 0.261517 0.442667 0.013 Uiso 1 1 calc R U . . .
O7 O 0.7650(4) 0.5332(2) 0.2527(2) 0.0346(9) Uani 1 1 d . . . . .
C7 C 0.0247(5) 0.4074(3) 0.4622(2) 0.0091(6) Uani 1 1 d . U . . .
O6 O 0.0660(4) 0.3152(3) 0.0307(2) 0.0324(8) Uani 1 1 d . . . . .
C6 C 0.0702(5) 0.4862(3) 0.4319(2) 0.0083(7) Uani 1 1 d . U . . .
O5 O 0.6219(4) 0.3592(2) 0.1053(2) 0.0293(8) Uani 1 1 d . . . . .
C5 C -0.0459(5) 0.4200(3) 0.5308(2) 0.0094(7) Uani 1 1 d . U . . .
O9 O 0.7160(4) 0.7493(3) 0.1068(2) 0.0349(9) Uani 1 1 d . . . . .
C9 C 0.1246(5) 0.3032(3) 0.3581(2) 0.0108(7) Uani 1 1 d . U . . .
H9 H 0.141503 0.241153 0.333331 0.013 Uiso 1 1 calc R U . . .
O10 O -0.0232(4) 0.5378(3) 0.0892(2) 0.0387(9) Uani 1 1 d . . . . .
C10 C 0.1724(5) 0.3809(3) 0.3265(2) 0.0100(6) Uani 1 1 d . U . . .
O11 O 0.3310(4) 0.8005(2) 0.0574(2) 0.0324(8) Uani 1 1 d . . . . .
C11 C 0.1449(5) 0.4729(3) 0.3637(2) 0.0097(6) Uani 1 1 d . U . . .
O12 O 0.0540(6) 0.8273(4) 0.2543(2) 0.0693(16) Uani 1 1 d . . . . .
C12 C 0.2497(5) 0.3724(3) 0.2605(2) 0.0100(7) Uani 1 1 d . U . . .
C13 C 0.3477(5) 0.6137(3) 0.2406(2) 0.0116(7) Uani 1 1 d . U . . .
C14 C 0.4305(5) 0.7010(3) 0.2606(2) 0.0128(8) Uani 1 1 d . U . . .
C15 C 0.6637(6) 0.5661(3) 0.2194(3) 0.0220(10) Uani 1 1 d . U . . .
C17 C 0.6323(6) 0.7015(3) 0.1313(3) 0.0234(11) Uani 1 1 d . U . . .
C16 C 0.4119(5) 0.5267(3) 0.0863(3) 0.0187(10) Uani 1 1 d . U . . .
C18 C 0.0799(6) 0.5976(3) 0.1170(3) 0.0250(11) Uani 1 1 d . U . . .
C19 C 0.2957(6) 0.7597(3) 0.1018(3) 0.0205(10) Uani 1 1 d . U . . .
C20 C 0.1257(7) 0.7738(4) 0.2220(3) 0.0339(12) Uani 1 1 d . U . . .
C27 C 0.2785(5) 0.2783(3) 0.2186(2) 0.0107(7) Uani 1 1 d . U . . .
C28 C 0.2129(5) 0.1870(3) 0.1919(2) 0.0121(8) Uani 1 1 d . U . . .
C29 C 0.6340(6) 0.2781(3) 0.2683(3) 0.0267(11) Uani 1 1 d . U . . .
C30 C 0.4346(7) 0.1679(4) 0.3343(3) 0.0353(13) Uani 1 1 d . U . . .
C31 C 0.5013(6) 0.0793(3) 0.1942(3) 0.0270(11) Uani 1 1 d . U . . .
C32 C 0.3476(6) 0.1288(3) 0.0415(3) 0.0228(10) Uani 1 1 d . U . . .
C33 C 0.5090(6) 0.3123(3) 0.1095(3) 0.0194(10) Uani 1 1 d . U . . .
C34 C 0.1714(6) 0.2831(3) 0.0619(3) 0.0194(10) Uani 1 1 d . U . . .
C35 C -0.0333(6) 0.0729(3) 0.2610(3) 0.0266(11) Uani 1 1 d . U . . .
H35A H -0.118274 0.018086 0.247321 0.040 Uiso 1 1 calc R U . . .
H35B H -0.077354 0.128586 0.287790 0.040 Uiso 1 1 calc R U . . .
H35C H 0.063228 0.059586 0.295650 0.040 Uiso 1 1 calc R U . . .
C36 C 0.0782(6) -0.0174(3) 0.1133(3) 0.0226(10) Uani 1 1 d . U . . .
H36A H -0.014159 -0.066821 0.106656 0.034 Uiso 1 1 calc R U . . .
H36B H 0.178132 -0.035571 0.142036 0.034 Uiso 1 1 calc R U . . .
H36C H 0.096539 -0.009758 0.061631 0.034 Uiso 1 1 calc R U . . .
C37 C -0.1392(6) 0.1453(3) 0.1109(3) 0.0239(11) Uani 1 1 d . U . . .
H37A H -0.243781 0.105286 0.104719 0.036 Uiso 1 1 calc R U . . .
H37B H -0.113377 0.146155 0.059144 0.036 Uiso 1 1 calc R U . . .
H37C H -0.148828 0.210012 0.138110 0.036 Uiso 1 1 calc R U . . .
C22 C 0.6429(18) 0.7425(9) 0.4179(8) 0.034(3) Uani 0.439(8) 1 d . U P A 1
H22A H 0.718449 0.789845 0.458659 0.052 Uiso 0.439(8) 1 calc R U P A 1
H22B H 0.704016 0.691680 0.395967 0.052 Uiso 0.439(8) 1 calc R U P A 1
H22C H 0.555158 0.715945 0.440751 0.052 Uiso 0.439(8) 1 calc R U P A 1
C23 C 0.7170(18) 0.8544(10) 0.2988(8) 0.042(3) Uani 0.439(8) 1 d . U P A 1
H23A H 0.786612 0.903802 0.340264 0.063 Uiso 0.439(8) 1 calc R U P A 1
H23B H 0.667774 0.882713 0.255997 0.063 Uiso 0.439(8) 1 calc R U P A 1
H23C H 0.784446 0.805891 0.278920 0.063 Uiso 0.439(8) 1 calc R U P A 1
C25 C 0.4181(16) 0.8880(9) 0.3751(9) 0.034(3) Uani 0.439(8) 1 d . U P A 1
H25A H 0.485660 0.939980 0.414801 0.052 Uiso 0.439(8) 1 calc R U P A 1
H25B H 0.334236 0.858183 0.398277 0.052 Uiso 0.439(8) 1 calc R U P A 1
H25C H 0.363852 0.912929 0.331196 0.052 Uiso 0.439(8) 1 calc R U P A 1
C21 C 0.7242(14) 0.7543(8) 0.3961(6) 0.040(2) Uani 0.561(8) 1 d . U P A 2
H21A H 0.777644 0.804057 0.441641 0.060 Uiso 0.561(8) 1 calc R U P A 2
H21B H 0.804617 0.735987 0.362770 0.060 Uiso 0.561(8) 1 calc R U P A 2
H21C H 0.682087 0.698980 0.413809 0.060 Uiso 0.561(8) 1 calc R U P A 2
C24 C 0.6300(14) 0.8926(7) 0.2924(6) 0.036(2) Uani 0.561(8) 1 d . U P A 2
H24A H 0.688297 0.946705 0.333093 0.054 Uiso 0.561(8) 1 calc R U P A 2
H24B H 0.537368 0.913323 0.260331 0.054 Uiso 0.561(8) 1 calc R U P A 2
H24C H 0.706197 0.866838 0.259097 0.054 Uiso 0.561(8) 1 calc R U P A 2
C26 C 0.4248(13) 0.8580(8) 0.4105(7) 0.036(2) Uani 0.561(8) 1 d . U P A 2
H26A H 0.490740 0.914531 0.445450 0.054 Uiso 0.561(8) 1 calc R U P A 2
H26B H 0.392786 0.813536 0.441704 0.054 Uiso 0.561(8) 1 calc R U P A 2
H26C H 0.325419 0.876442 0.381465 0.054 Uiso 0.561(8) 1 calc R U P A 2
Cl1 Cl 0.5849(4) 0.4819(3) 0.4191(2) 0.0404(8) Uani 0.5 1 d D U P B -1
Cl2 Cl 0.4498(6) 0.5549(4) 0.5539(4) 0.1018(17) Uani 0.5 1 d D U P B -1
C39 C 0.4949(17) 0.4499(8) 0.4958(7) 0.054(3) Uani 0.5 1 d D U P B -1
H39A H 0.392578 0.405702 0.473629 0.065 Uiso 0.5 1 calc R U P B -1
H39B H 0.572820 0.418209 0.527927 0.065 Uiso 0.5 1 calc R U P B -1
C38 C 0.0624(14) -0.0095(8) 0.4580(7) 0.0455(9) Uani 0.5 1 d D U P C -1
H38A H 0.157583 0.028984 0.448108 0.055 Uiso 0.5 1 calc R U P C -1
H38B H 0.014856 -0.056261 0.408629 0.055 Uiso 0.5 1 calc R U P C -1
Cl3 Cl -0.0823(6) 0.0634(5) 0.4801(4) 0.0455(9) Uani 0.5 1 d D . P C -1
Cl4 Cl 0.1348(6) -0.0709(5) 0.5292(4) 0.0455(9) Uani 0.5 1 d D . P C -1


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C30 1.786(6) . ?
Co1 C31 1.810(5) . ?
Co1 C29 1.823(5) . ?
Co1 C28 1.982(4) . ?
Co1 C27 1.988(4) . ?
Co1 Co2 2.4724(18) . ?
C1 N1 1.350(5) . ?
C1 C2 1.417(6) . ?
C1 C13 1.468(6) . ?
N1 C12 1.342(5) . ?
O1 C30 1.154(7) . ?
Si1 C28 1.859(4) . ?
Si1 C37 1.860(5) . ?
Si1 C36 1.865(4) . ?
Si1 C35 1.875(5) . ?
Co2 C34 1.789(5) . ?
Co2 C33 1.817(5) . ?
Co2 C32 1.817(4) . ?
Co2 C27 1.953(4) . ?
Co2 C28 1.997(4) . ?
C2 C11 1.410(6) . ?
C2 C3 1.423(5) . ?
O2 C29 1.129(6) . ?
Si2 C25 1.841(12) . ?
Si2 C22 1.847(13) . ?
Si2 C21 1.851(10) . ?
Si2 C23 1.855(14) . ?
Si2 C24 1.858(10) . ?
Si2 C14 1.861(4) . ?
Si2 C26 1.887(10) . ?
Co4 C20 1.784(5) . ?
Co4 C19 1.812(5) . ?
Co4 C18 1.832(5) . ?
Co4 C13 1.983(4) . ?
Co4 C14 1.998(4) . ?
Co4 Co3 2.4669(19) . ?
C4 C3 1.369(6) . ?
C4 C5 1.422(6) 2_566 ?
C4 H4 0.9500 . ?
O4 C32 1.139(5) . ?
Co3 C15 1.795(5) . ?
Co3 C16 1.815(5) . ?
Co3 C17 1.827(5) . ?
Co3 C13 1.956(4) . ?
Co3 C14 1.991(4) . ?
C3 H3 0.9500 . ?
O3 C31 1.140(6) . ?
O8 C16 1.142(5) . ?
C8 C9 1.356(6) . ?
C8 C7 1.439(5) . ?
C8 H8 0.9500 . ?
O7 C15 1.136(6) . ?
C7 C6 1.409(6) . ?
C7 C5 1.424(5) . ?
O6 C34 1.135(5) . ?
C6 C5 1.431(5) 2_566 ?
C6 C11 1.437(5) . ?
O5 C33 1.133(5) . ?
O9 C17 1.140(6) . ?
C9 C10 1.415(6) . ?
C9 H9 0.9500 . ?
O10 C18 1.135(6) . ?
C10 C12 1.415(6) . ?
C10 C11 1.417(5) . ?
O11 C19 1.140(6) . ?
O12 C20 1.136(6) . ?
C12 C27 1.474(5) . ?
C13 C14 1.340(6) . ?
C27 C28 1.347(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
Cl1 C39 1.782(12) . ?
Cl2 C39 1.762(12) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C38 Cl3 1.702(10) . ?
C38 Cl4 1.742(12) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?

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
C30 Co1 C31 98.4(2) . . ?
C30 Co1 C29 100.0(2) . . ?
C31 Co1 C29 108.6(2) . . ?
C30 Co1 C28 102.2(2) . . ?
C31 Co1 C28 102.23(19) . . ?
C29 Co1 C28 138.5(2) . . ?
C30 Co1 C27 106.9(2) . . ?
C31 Co1 C27 137.36(19) . . ?
C29 Co1 C27 100.2(2) . . ?
C28 Co1 C27 39.68(16) . . ?
C30 Co1 Co2 153.37(17) . . ?
C31 Co1 Co2 93.84(17) . . ?
C29 Co1 Co2 98.27(17) . . ?
C28 Co1 Co2 51.86(12) . . ?
C27 Co1 Co2 50.51(11) . . ?
N1 C1 C2 123.2(4) . . ?
N1 C1 C13 116.4(3) . . ?
C2 C1 C13 120.4(3) . . ?
C12 N1 C1 118.1(3) . . ?
C28 Si1 C37 106.3(2) . . ?
C28 Si1 C36 109.4(2) . . ?
C37 Si1 C36 111.6(2) . . ?
C28 Si1 C35 111.6(2) . . ?
C37 Si1 C35 110.8(2) . . ?
C36 Si1 C35 107.1(2) . . ?
C34 Co2 C33 99.4(2) . . ?
C34 Co2 C32 100.0(2) . . ?
C33 Co2 C32 101.4(2) . . ?
C34 Co2 C27 96.17(19) . . ?
C33 Co2 C27 106.44(18) . . ?
C32 Co2 C27 145.0(2) . . ?
C34 Co2 C28 100.50(19) . . ?
C33 Co2 C28 142.40(18) . . ?
C32 Co2 C28 106.2(2) . . ?
C27 Co2 C28 39.86(17) . . ?
C34 Co2 Co1 147.07(14) . . ?
C33 Co2 Co1 97.55(15) . . ?
C32 Co2 Co1 104.12(17) . . ?
C27 Co2 Co1 51.78(13) . . ?
C28 Co2 Co1 51.30(13) . . ?
C11 C2 C1 118.2(3) . . ?
C11 C2 C3 118.6(4) . . ?
C1 C2 C3 123.2(4) . . ?
C25 Si2 C22 111.4(6) . . ?
C25 Si2 C23 110.7(6) . . ?
C22 Si2 C23 109.6(7) . . ?
C21 Si2 C24 110.4(5) . . ?
C25 Si2 C14 111.5(4) . . ?
C22 Si2 C14 105.5(4) . . ?
C21 Si2 C14 109.9(3) . . ?
C23 Si2 C14 108.0(4) . . ?
C24 Si2 C14 108.2(3) . . ?
C21 Si2 C26 107.8(5) . . ?
C24 Si2 C26 106.7(5) . . ?
C14 Si2 C26 113.8(3) . . ?
C20 Co4 C19 98.9(2) . . ?
C20 Co4 C18 101.2(2) . . ?
C19 Co4 C18 106.7(2) . . ?
C20 Co4 C13 111.1(2) . . ?
C19 Co4 C13 139.15(19) . . ?
C18 Co4 C13 94.3(2) . . ?
C20 Co4 C14 97.3(2) . . ?
C19 Co4 C14 111.86(19) . . ?
C18 Co4 C14 133.7(2) . . ?
C13 Co4 C14 39.36(17) . . ?
C20 Co4 Co3 148.38(17) . . ?
C19 Co4 Co3 89.46(15) . . ?
C18 Co4 Co3 105.50(16) . . ?
C13 Co4 Co3 50.73(12) . . ?
C14 Co4 Co3 51.68(12) . . ?
C3 C4 C5 122.1(4) . 2_566 ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 2_566 . ?
C15 Co3 C16 101.6(2) . . ?
C15 Co3 C17 98.8(2) . . ?
C16 Co3 C17 104.9(2) . . ?
C15 Co3 C13 97.6(2) . . ?
C16 Co3 C13 101.78(19) . . ?
C17 Co3 C13 144.99(19) . . ?
C15 Co3 C14 101.31(19) . . ?
C16 Co3 C14 137.38(18) . . ?
C17 Co3 C14 106.45(19) . . ?
C13 Co3 C14 39.69(17) . . ?
C15 Co3 Co4 148.52(15) . . ?
C16 Co3 Co4 92.65(14) . . ?
C17 Co3 Co4 104.47(16) . . ?
C13 Co3 Co4 51.70(13) . . ?
C14 Co3 Co4 51.91(12) . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C9 C8 C7 121.7(4) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C6 C7 C5 120.3(3) . . ?
C6 C7 C8 118.1(4) . . ?
C5 C7 C8 121.6(4) . . ?
C7 C6 C5 120.9(4) . 2_566 ?
C7 C6 C11 119.8(3) . . ?
C5 C6 C11 119.2(4) 2_566 . ?
C4 C5 C7 123.1(3) 2_566 . ?
C4 C5 C6 118.1(4) 2_566 2_566 ?
C7 C5 C6 118.8(4) . 2_566 ?
C8 C9 C10 121.5(4) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 H9 119.2 . . ?
C12 C10 C9 123.7(4) . . ?
C12 C10 C11 117.8(4) . . ?
C9 C10 C11 118.5(4) . . ?
C2 C11 C10 118.9(4) . . ?
C2 C11 C6 120.8(3) . . ?
C10 C11 C6 120.3(4) . . ?
N1 C12 C10 123.7(3) . . ?
N1 C12 C27 116.1(4) . . ?
C10 C12 C27 120.2(4) . . ?
C14 C13 C1 145.1(4) . . ?
C14 C13 Co3 71.6(2) . . ?
C1 C13 Co3 131.8(3) . . ?
C14 C13 Co4 70.9(3) . . ?
C1 C13 Co4 132.3(3) . . ?
Co3 C13 Co4 77.57(16) . . ?
C13 C14 Si2 148.2(3) . . ?
C13 C14 Co3 68.7(2) . . ?
Si2 C14 Co3 129.2(2) . . ?
C13 C14 Co4 69.7(2) . . ?
Si2 C14 Co4 134.8(2) . . ?
Co3 C14 Co4 76.41(15) . . ?
O7 C15 Co3 177.7(4) . . ?
O9 C17 Co3 177.8(4) . . ?
O8 C16 Co3 176.7(4) . . ?
O10 C18 Co4 174.3(4) . . ?
O11 C19 Co4 178.5(4) . . ?
O12 C20 Co4 178.5(6) . . ?
C28 C27 C12 144.4(4) . . ?
C28 C27 Co2 71.8(2) . . ?
C12 C27 Co2 132.6(3) . . ?
C28 C27 Co1 69.9(2) . . ?
C12 C27 Co1 132.8(3) . . ?
Co2 C27 Co1 77.70(14) . . ?
C27 C28 Si1 148.6(3) . . ?
C27 C28 Co1 70.4(2) . . ?
Si1 C28 Co1 135.3(2) . . ?
C27 C28 Co2 68.3(2) . . ?
Si1 C28 Co2 127.3(2) . . ?
Co1 C28 Co2 76.84(15) . . ?
O2 C29 Co1 178.2(4) . . ?
O1 C30 Co1 178.2(5) . . ?
O3 C31 Co1 177.8(5) . . ?
O4 C32 Co2 178.4(5) . . ?
O5 C33 Co2 177.8(4) . . ?
O6 C34 Co2 177.0(4) . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si1 C36 H36A 109.5 . . ?
Si1 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si1 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si1 C37 H37A 109.5 . . ?
Si1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Cl2 C39 Cl1 107.5(7) . . ?
Cl2 C39 H39A 110.2 . . ?
Cl1 C39 H39A 110.2 . . ?
Cl2 C39 H39B 110.2 . . ?
Cl1 C39 H39B 110.2 . . ?
H39A C39 H39B 108.5 . . ?
Cl3 C38 Cl4 115.6(7) . . ?
Cl3 C38 H38A 108.4 . . ?
Cl4 C38 H38A 108.4 . . ?
Cl3 C38 H38B 108.4 . . ?
Cl4 C38 H38B 108.4 . . ?
H38A C38 H38B 107.4 . . ?

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
C2 C1 N1 C12 -1.2(6) . . . . ?
C13 C1 N1 C12 178.1(3) . . . . ?
N1 C1 C2 C11 3.1(6) . . . . ?
C13 C1 C2 C11 -176.2(4) . . . . ?
N1 C1 C2 C3 -178.1(4) . . . . ?
C13 C1 C2 C3 2.5(6) . . . . ?
C5 C4 C3 C2 0.0(6) 2_566 . . . ?
C11 C2 C3 C4 2.3(6) . . . . ?
C1 C2 C3 C4 -176.4(4) . . . . ?
C9 C8 C7 C6 -0.4(6) . . . . ?
C9 C8 C7 C5 -179.0(4) . . . . ?
C5 C7 C6 C5 -0.3(6) . . . 2_566 ?
C8 C7 C6 C5 -178.9(4) . . . 2_566 ?
C5 C7 C6 C11 178.6(3) . . . . ?
C8 C7 C6 C11 -0.1(5) . . . . ?
C6 C7 C5 C4 179.5(4) . . . 2_566 ?
C8 C7 C5 C4 -1.9(6) . . . 2_566 ?
C6 C7 C5 C6 0.3(6) . . . 2_566 ?
C8 C7 C5 C6 178.9(4) . . . 2_566 ?
C7 C8 C9 C10 0.8(6) . . . . ?
C8 C9 C10 C12 178.1(4) . . . . ?
C8 C9 C10 C11 -0.6(6) . . . . ?
C1 C2 C11 C10 -1.8(6) . . . . ?
C3 C2 C11 C10 179.4(4) . . . . ?
C1 C2 C11 C6 175.7(4) . . . . ?
C3 C2 C11 C6 -3.1(6) . . . . ?
C12 C10 C11 C2 -1.2(6) . . . . ?
C9 C10 C11 C2 177.6(4) . . . . ?
C12 C10 C11 C6 -178.6(3) . . . . ?
C9 C10 C11 C6 0.1(6) . . . . ?
C7 C6 C11 C2 -177.2(4) . . . . ?
C5 C6 C11 C2 1.6(6) 2_566 . . . ?
C7 C6 C11 C10 0.2(6) . . . . ?
C5 C6 C11 C10 179.1(4) 2_566 . . . ?
C1 N1 C12 C10 -2.0(6) . . . . ?
C1 N1 C12 C27 179.9(3) . . . . ?
C9 C10 C12 N1 -175.5(4) . . . . ?
C11 C10 C12 N1 3.2(6) . . . . ?
C9 C10 C12 C27 2.5(6) . . . . ?
C11 C10 C12 C27 -178.8(3) . . . . ?
N1 C1 C13 C14 -136.5(6) . . . . ?
C2 C1 C13 C14 42.9(8) . . . . ?
N1 C1 C13 Co3 -13.6(6) . . . . ?
C2 C1 C13 Co3 165.8(3) . . . . ?
N1 C1 C13 Co4 101.4(4) . . . . ?
C2 C1 C13 Co4 -79.2(5) . . . . ?
C1 C13 C14 Si2 7.5(11) . . . . ?
Co3 C13 C14 Si2 -131.2(6) . . . . ?
Co4 C13 C14 Si2 146.0(6) . . . . ?
C1 C13 C14 Co3 138.7(6) . . . . ?
Co4 C13 C14 Co3 -82.82(14) . . . . ?
C1 C13 C14 Co4 -138.4(6) . . . . ?
Co3 C13 C14 Co4 82.82(14) . . . . ?
C25 Si2 C14 C13 -95.2(8) . . . . ?
C22 Si2 C14 C13 25.8(8) . . . . ?
C21 Si2 C14 C13 53.5(8) . . . . ?
C23 Si2 C14 C13 143.0(8) . . . . ?
C24 Si2 C14 C13 174.1(7) . . . . ?
C26 Si2 C14 C13 -67.4(8) . . . . ?
C25 Si2 C14 Co3 149.5(6) . . . . ?
C22 Si2 C14 Co3 -89.4(6) . . . . ?
C21 Si2 C14 Co3 -61.7(5) . . . . ?
C23 Si2 C14 Co3 27.7(6) . . . . ?
C24 Si2 C14 Co3 58.9(5) . . . . ?
C26 Si2 C14 Co3 177.3(5) . . . . ?
C25 Si2 C14 Co4 37.1(7) . . . . ?
C22 Si2 C14 Co4 158.2(6) . . . . ?
C21 Si2 C14 Co4 -174.1(5) . . . . ?
C23 Si2 C14 Co4 -84.7(6) . . . . ?
C24 Si2 C14 Co4 -53.5(5) . . . . ?
C26 Si2 C14 Co4 64.9(6) . . . . ?
N1 C12 C27 C28 -141.5(6) . . . . ?
C10 C12 C27 C28 40.4(8) . . . . ?
N1 C12 C27 Co2 -17.8(6) . . . . ?
C10 C12 C27 Co2 164.1(3) . . . . ?
N1 C12 C27 Co1 99.3(5) . . . . ?
C10 C12 C27 Co1 -78.8(5) . . . . ?
C12 C27 C28 Si1 13.0(11) . . . . ?
Co2 C27 C28 Si1 -126.8(6) . . . . ?
Co1 C27 C28 Si1 150.0(6) . . . . ?
C12 C27 C28 Co1 -137.0(7) . . . . ?
Co2 C27 C28 Co1 83.19(12) . . . . ?
C12 C27 C28 Co2 139.8(7) . . . . ?
Co1 C27 C28 Co2 -83.19(12) . . . . ?
C37 Si1 C28 C27 49.0(7) . . . . ?
C36 Si1 C28 C27 169.7(6) . . . . ?
C35 Si1 C28 C27 -71.9(7) . . . . ?
C37 Si1 C28 Co1 -173.0(3) . . . . ?
C36 Si1 C28 Co1 -52.3(4) . . . . ?
C35 Si1 C28 Co1 66.1(4) . . . . ?
C37 Si1 C28 Co2 -61.7(3) . . . . ?
C36 Si1 C28 Co2 59.0(3) . . . . ?
C35 Si1 C28 Co2 177.3(3) . . . . ?

_refine_diff_density_max         1.174
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.107

####################################################################### 
# 
# 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_SWP217_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2087192'
loop_
_audit_author_name
_audit_author_address
'Tobias Vollgraff'
;Philipps Universitaet Marburg
Germany
;
_audit_update_record             
;
2021-06-01 deposited with the CCDC.	2021-09-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H40 Co8 N2 O24 Si4, 2(C5 H12)'
_chemical_formula_sum            'C68 H64 Co8 N2 O24 Si4'
_chemical_formula_weight         1877.01

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   18.165(4)
_cell_length_b                   15.847(3)
_cell_length_c                   28.456(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.73(3)
_cell_angle_gamma                90
_cell_volume                     8096(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9734
_cell_measurement_theta_min      2.6298
_cell_measurement_theta_max      25.7459

_exptl_crystal_description       nugget
_exptl_crystal_colour            'dark black'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_F_000             3800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.305
_exptl_crystal_size_mid          0.168
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    1.727
_shelx_estimated_absorpt_T_min   0.621
_shelx_estimated_absorpt_T_max   0.833
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.6979
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS Microfocus Source'
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            145737
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.130
_diffrn_reflns_theta_max         25.752
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7743
_reflns_number_gt                6867
_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       'Bruker Instrument Service v3.0.26'
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'DIAMOND 4 (H. Putz, K. Brandenburg, Crystal Impact GbR, Kreuzherrenstr. 102, 53227 Bonn, Germany)'
_computing_publication_material  
; 
'WinGX 2014.1 (L.J. Farrugia, J. Appl. Cryst. 2012, 45, 849-854)'
'enCIFer (F. H. Allen, O. Johnson, G. P. Shields, B. R. Smith, M. Towler, J. Appl. Cryst. 2004, 37, 335-338.)'
;
_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)+(0.0184P)²+20.2297P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7743
_refine_ls_number_parameters     517
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0250
_refine_ls_wR_factor_ref         0.0550
_refine_ls_wR_factor_gt          0.0529
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.56992(10) 0.62808(11) 0.34629(6) 0.0091(4) Uani 1 1 d . . . . .
C2 C 0.53477(10) 0.62396(11) 0.29828(6) 0.0088(4) Uani 1 1 d . . . . .
C3 C 0.51702(10) 0.54721(12) 0.27286(7) 0.0115(4) Uani 1 1 d . . . . .
H3 H 0.529388 0.494910 0.288394 0.014 Uiso 1 1 calc R U . . .
C4 C 0.51670(10) 0.70105(11) 0.27443(6) 0.0082(4) Uani 1 1 d . . . . .
C5 C 0.53089(10) 0.77805(11) 0.29909(6) 0.0088(4) Uani 1 1 d . . . . .
C6 C 0.51402(10) 0.85494(12) 0.27350(7) 0.0113(4) Uani 1 1 d . . . . .
H6 H 0.522630 0.907220 0.289749 0.014 Uiso 1 1 calc R U . . .
C7 C 0.56074(10) 0.77426(11) 0.34819(6) 0.0095(4) Uani 1 1 d . . . . .
C8 C 0.56875(10) 0.85112(12) 0.37709(6) 0.0097(4) Uani 1 1 d . . . . .
C9 C 0.58293(10) 0.93449(12) 0.37629(6) 0.0109(4) Uani 1 1 d . . . . .
C10 C 0.59612(10) 0.55114(12) 0.37206(6) 0.0105(4) Uani 1 1 d . . . . .
C11 C 0.58055(11) 0.46973(12) 0.37982(7) 0.0130(4) Uani 1 1 d . . . . .
C12 C 0.41772(11) 0.92374(13) 0.35674(7) 0.0175(4) Uani 1 1 d . . . . .
C13 C 0.48436(11) 1.01683(13) 0.43429(7) 0.0162(4) Uani 1 1 d . . . . .
C14 C 0.44876(11) 0.83788(13) 0.44113(7) 0.0174(4) Uani 1 1 d . . . . .
C15 C 0.64383(11) 0.97096(13) 0.47992(7) 0.0165(4) Uani 1 1 d . . . . .
C16 C 0.60666(11) 0.79764(13) 0.47881(7) 0.0152(4) Uani 1 1 d . . . . .
C17 C 0.71491(12) 0.85603(14) 0.42784(7) 0.0204(5) Uani 1 1 d . . . . .
C18 C 0.69048(11) 0.61633(13) 0.45497(7) 0.0170(4) Uani 1 1 d . . . . .
C19 C 0.54571(12) 0.56636(13) 0.46003(7) 0.0177(4) Uani 1 1 d . . . . .
C20 C 0.65790(12) 0.44539(14) 0.48275(7) 0.0205(5) Uani 1 1 d . . . . .
C21 C 0.72550(12) 0.38196(14) 0.39643(8) 0.0239(5) Uani 1 1 d . . . . .
C22 C 0.76535(12) 0.55250(14) 0.37788(8) 0.0226(5) Uani 1 1 d . . . . .
C23 C 0.68341(12) 0.45762(14) 0.30844(8) 0.0235(5) Uani 1 1 d . . . . .
C24 C 0.67025(16) 1.09968(15) 0.38988(9) 0.0364(6) Uani 1 1 d . . . . .
H24A H 0.684950 1.150033 0.373597 0.055 Uiso 1 1 calc R U . . .
H24B H 0.714894 1.070273 0.405359 0.055 Uiso 1 1 calc R U . . .
H24C H 0.639662 1.116394 0.413877 0.055 Uiso 1 1 calc R U . . .
C25 C 0.67475(15) 0.99069(18) 0.30192(9) 0.0384(7) Uani 1 1 d . . . . .
H25A H 0.647357 0.948397 0.281036 0.058 Uiso 1 1 calc R U . . .
H25B H 0.720522 0.965480 0.318804 0.058 Uiso 1 1 calc R U . . .
H25C H 0.687452 1.038512 0.282838 0.058 Uiso 1 1 calc R U . . .
C26 C 0.53217(16) 1.08663(14) 0.31594(9) 0.0339(6) Uani 1 1 d . . . . .
H26A H 0.548160 1.132502 0.296715 0.051 Uiso 1 1 calc R U . . .
H26B H 0.504776 1.110171 0.340039 0.051 Uiso 1 1 calc R U . . .
H26C H 0.499782 1.047899 0.295393 0.051 Uiso 1 1 calc R U . . .
C27 C 0.53895(15) 0.30179(14) 0.42086(8) 0.0310(6) Uani 1 1 d . . . . .
H27A H 0.503859 0.254459 0.416335 0.047 Uiso 1 1 calc R U . . .
H27B H 0.537932 0.327289 0.452128 0.047 Uiso 1 1 calc R U . . .
H27C H 0.589313 0.281308 0.418948 0.047 Uiso 1 1 calc R U . . .
C31 C 0.26531(18) 0.69431(19) 0.22724(11) 0.0491(7) Uani 1 1 d D . . . .
H31A H 0.302710 0.662367 0.212499 0.059 Uiso 1 1 calc R U . A 1
H31B H 0.223109 0.655844 0.229667 0.059 Uiso 1 1 calc R U . A 1
C32 C 0.3004(2) 0.7211(2) 0.27748(12) 0.0560(8) Uani 1 1 d . . . . .
H32A H 0.337870 0.765467 0.274789 0.067 Uiso 1 1 calc R U . . .
H32B H 0.261100 0.746362 0.293618 0.067 Uiso 1 1 calc R U . . .
C33 C 0.33644(15) 0.65270(19) 0.30750(10) 0.0411(7) Uani 1 1 d . . . . .
H33A H 0.375339 0.626965 0.291204 0.049 Uiso 1 1 calc R U . . .
H33B H 0.298823 0.608623 0.310530 0.049 Uiso 1 1 calc R U . . .
C34 C 0.37117(15) 0.67907(18) 0.35604(10) 0.0395(7) Uani 1 1 d . . . . .
H34A H 0.410336 0.720672 0.353613 0.059 Uiso 1 1 calc R U . . .
H34B H 0.392884 0.629709 0.373728 0.059 Uiso 1 1 calc R U . . .
H34C H 0.333168 0.704184 0.372740 0.059 Uiso 1 1 calc R U . . .
Co1 Co 0.49217(2) 0.91497(2) 0.40592(2) 0.01107(6) Uani 1 1 d . . . . .
Co2 Co 0.62291(2) 0.88329(2) 0.43865(2) 0.01089(6) Uani 1 1 d . . . . .
Co3 Co 0.62789(2) 0.52815(2) 0.43896(2) 0.01223(6) Uani 1 1 d . . . . .
Co4 Co 0.68654(2) 0.48044(2) 0.37079(2) 0.01399(7) Uani 1 1 d . . . . .
N1 N 0.58100(8) 0.70118(10) 0.37041(5) 0.0095(3) Uani 1 1 d . . . . .
O1 O 0.37051(9) 0.92932(11) 0.32572(5) 0.0290(4) Uani 1 1 d . . . . .
O2 O 0.48170(9) 1.08105(9) 0.45135(5) 0.0254(3) Uani 1 1 d . . . . .
O3 O 0.42239(9) 0.79037(10) 0.46297(6) 0.0287(4) Uani 1 1 d . . . . .
O4 O 0.65622(9) 1.02457(10) 0.50639(5) 0.0253(3) Uani 1 1 d . . . . .
O5 O 0.59556(8) 0.74611(9) 0.50444(5) 0.0223(3) Uani 1 1 d . . . . .
O6 O 0.77226(9) 0.83898(12) 0.41971(6) 0.0379(4) Uani 1 1 d . . . . .
O7 O 0.73046(8) 0.67118(10) 0.46328(5) 0.0240(3) Uani 1 1 d . . . . .
O8 O 0.49224(9) 0.59090(10) 0.47105(6) 0.0279(4) Uani 1 1 d . . . . .
O9 O 0.67757(9) 0.39525(11) 0.51013(6) 0.0330(4) Uani 1 1 d . . . . .
O10 O 0.74916(10) 0.32049(11) 0.41271(7) 0.0388(4) Uani 1 1 d . . . . .
O11 O 0.81562(9) 0.59587(11) 0.38281(7) 0.0353(4) Uani 1 1 d . . . . .
O12 O 0.68214(10) 0.44335(12) 0.26929(6) 0.0383(4) Uani 1 1 d . . . . .
Si1 Si 0.61564(4) 1.02816(4) 0.34585(2) 0.01977(13) Uani 1 1 d . . . . .
Si2 Si 0.51204(4) 0.38161(4) 0.37399(2) 0.02070(13) Uani 1 1 d . . . . .
C28 C 0.5004(3) 0.3316(2) 0.31525(13) 0.0250(8) Uani 0.697(6) 1 d . U P B 1
H28A H 0.472343 0.369357 0.291785 0.038 Uiso 0.697(6) 1 calc R U P B 1
H28B H 0.473113 0.278405 0.316296 0.038 Uiso 0.697(6) 1 calc R U P B 1
H28C H 0.549411 0.320213 0.306276 0.038 Uiso 0.697(6) 1 calc R U P B 1
C29 C 0.4197(7) 0.4290(8) 0.3834(3) 0.042(2) Uani 0.697(6) 1 d . . P B 1
H29A H 0.405839 0.473944 0.360139 0.062 Uiso 0.697(6) 1 calc R U P B 1
H29B H 0.424117 0.452388 0.415629 0.062 Uiso 0.697(6) 1 calc R U P B 1
H29C H 0.381216 0.385062 0.379467 0.062 Uiso 0.697(6) 1 calc R U P B 1
C30 C 0.2386(3) 0.7643(3) 0.19633(18) 0.0608(13) Uani 0.697(6) 1 d . U P B 1
H30A H 0.280735 0.800091 0.191340 0.091 Uiso 0.697(6) 1 calc R U P B 1
H30B H 0.202868 0.797614 0.211127 0.091 Uiso 0.697(6) 1 calc R U P B 1
H30C H 0.214202 0.742431 0.165672 0.091 Uiso 0.697(6) 1 calc R U P B 1
C35 C 0.5327(6) 0.3206(6) 0.3164(3) 0.0235(12) Uani 0.303(6) 1 d . U P B 2
H35A H 0.500381 0.270901 0.311180 0.035 Uiso 0.303(6) 1 calc R U P B 2
H35B H 0.584939 0.302715 0.320942 0.035 Uiso 0.303(6) 1 calc R U P B 2
H35C H 0.522959 0.358061 0.288792 0.035 Uiso 0.303(6) 1 calc R U P B 2
C36 C 0.1943(7) 0.7435(8) 0.2066(4) 0.0632(16) Uani 0.303(6) 1 d D U P B 2
H36A H 0.175641 0.722618 0.174649 0.095 Uiso 0.303(6) 1 calc R U P B 2
H36B H 0.156200 0.735512 0.227178 0.095 Uiso 0.303(6) 1 calc R U P B 2
H36C H 0.206139 0.803713 0.205046 0.095 Uiso 0.303(6) 1 calc R U P B 2
C37 C 0.4178(17) 0.4249(19) 0.3656(6) 0.036(5) Uani 0.303(6) 1 d . . P B 2
H37A H 0.381677 0.378605 0.363396 0.055 Uiso 0.303(6) 1 calc R U P B 2
H37B H 0.409550 0.458216 0.336298 0.055 Uiso 0.303(6) 1 calc R U P B 2
H37C H 0.411702 0.461028 0.392707 0.055 Uiso 0.303(6) 1 calc R U P B 2


_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 N1 1.346(2) . ?
C1 C2 1.419(3) . ?
C1 C10 1.465(3) . ?
C2 C4 1.412(3) . ?
C2 C3 1.427(3) . ?
C3 C3 1.353(4) 2_655 ?
C3 H3 0.9500 . ?
C4 C5 1.412(3) . ?
C4 C4 1.430(4) 2_655 ?
C5 C7 1.421(3) . ?
C5 C6 1.429(3) . ?
C6 C6 1.357(4) 2_655 ?
C6 H6 0.9500 . ?
C7 N1 1.344(2) . ?
C7 C8 1.464(3) . ?
C8 C9 1.347(3) . ?
C8 Co2 1.9425(19) . ?
C8 Co1 1.9947(19) . ?
C9 Si1 1.861(2) . ?
C9 Co2 1.9858(19) . ?
C9 Co1 1.9868(19) . ?
C10 C11 1.346(3) . ?
C10 Co3 1.9381(19) . ?
C10 Co4 1.9930(19) . ?
C11 Si2 1.861(2) . ?
C11 Co4 1.988(2) . ?
C11 Co3 1.997(2) . ?
C12 O1 1.137(3) . ?
C12 Co1 1.798(2) . ?
C13 O2 1.132(2) . ?
C13 Co1 1.820(2) . ?
C14 O3 1.128(3) . ?
C14 Co1 1.832(2) . ?
C15 O4 1.135(2) . ?
C15 Co2 1.822(2) . ?
C16 O5 1.133(2) . ?
C16 Co2 1.827(2) . ?
C17 O6 1.134(3) . ?
C17 Co2 1.797(2) . ?
C18 O7 1.134(3) . ?
C18 Co3 1.815(2) . ?
C19 O8 1.134(3) . ?
C19 Co3 1.796(2) . ?
C20 O9 1.132(3) . ?
C20 Co3 1.834(2) . ?
C21 O10 1.135(3) . ?
C21 Co4 1.820(2) . ?
C22 O11 1.134(3) . ?
C22 Co4 1.818(2) . ?
C23 O12 1.134(3) . ?
C23 Co4 1.803(2) . ?
C24 Si1 1.860(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 Si1 1.864(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 Si1 1.868(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 Si2 1.849(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 C30 1.452(6) . ?
C31 C32 1.534(4) . ?
C31 C36 1.544(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.471(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.489(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
Co1 Co2 2.4674(7) . ?
Co3 Co4 2.4691(7) . ?
Si2 C37 1.83(3) . ?
Si2 C28 1.833(4) . ?
Si2 C29 1.894(13) . ?
Si2 C35 1.986(9) . ?
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 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.76(16) . . ?
N1 C1 C10 116.69(16) . . ?
C2 C1 C10 120.55(16) . . ?
C4 C2 C1 117.44(16) . . ?
C4 C2 C3 118.42(17) . . ?
C1 C2 C3 124.15(17) . . ?
C3 C3 C2 121.50(11) 2_655 . ?
C3 C3 H3 119.2 2_655 . ?
C2 C3 H3 119.2 . . ?
C5 C4 C2 119.84(16) . . ?
C5 C4 C4 120.11(11) . 2_655 ?
C2 C4 C4 120.04(10) . 2_655 ?
C4 C5 C7 117.75(16) . . ?
C4 C5 C6 118.37(17) . . ?
C7 C5 C6 123.87(17) . . ?
C6 C6 C5 121.45(11) 2_655 . ?
C6 C6 H6 119.3 2_655 . ?
C5 C6 H6 119.3 . . ?
N1 C7 C5 122.38(16) . . ?
N1 C7 C8 117.11(16) . . ?
C5 C7 C8 120.50(16) . . ?
C9 C8 C7 144.02(18) . . ?
C9 C8 Co2 71.69(11) . . ?
C7 C8 Co2 135.91(14) . . ?
C9 C8 Co1 69.91(11) . . ?
C7 C8 Co1 129.56(13) . . ?
Co2 C8 Co1 77.60(7) . . ?
C8 C9 Si1 149.97(15) . . ?
C8 C9 Co2 68.22(11) . . ?
Si1 C9 Co2 129.98(10) . . ?
C8 C9 Co1 70.54(11) . . ?
Si1 C9 Co1 131.76(10) . . ?
Co2 C9 Co1 76.79(7) . . ?
C11 C10 C1 145.04(18) . . ?
C11 C10 Co3 72.38(12) . . ?
C1 C10 Co3 132.38(14) . . ?
C11 C10 Co4 70.03(11) . . ?
C1 C10 Co4 131.68(13) . . ?
Co3 C10 Co4 77.81(7) . . ?
C10 C11 Si2 149.17(16) . . ?
C10 C11 Co4 70.44(11) . . ?
Si2 C11 Co4 134.45(11) . . ?
C10 C11 Co3 67.65(11) . . ?
Si2 C11 Co3 128.27(10) . . ?
Co4 C11 Co3 76.57(8) . . ?
O1 C12 Co1 179.8(2) . . ?
O2 C13 Co1 177.59(19) . . ?
O3 C14 Co1 179.6(2) . . ?
O4 C15 Co2 178.47(19) . . ?
O5 C16 Co2 178.02(18) . . ?
O6 C17 Co2 178.10(19) . . ?
O7 C18 Co3 177.32(19) . . ?
O8 C19 Co3 176.62(19) . . ?
O9 C20 Co3 178.7(2) . . ?
O10 C21 Co4 179.2(2) . . ?
O11 C22 Co4 178.3(2) . . ?
O12 C23 Co4 179.4(2) . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C31 C32 114.0(3) . . ?
C32 C31 C36 114.7(5) . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31B 108.8 . . ?
C32 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C33 C32 C31 115.0(3) . . ?
C33 C32 H32A 108.5 . . ?
C31 C32 H32A 108.5 . . ?
C33 C32 H32B 108.5 . . ?
C31 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 114.9(3) . . ?
C32 C33 H33A 108.5 . . ?
C34 C33 H33A 108.5 . . ?
C32 C33 H33B 108.5 . . ?
C34 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C12 Co1 C13 100.18(9) . . ?
C12 Co1 C14 98.16(9) . . ?
C13 Co1 C14 106.24(9) . . ?
C12 Co1 C9 103.42(9) . . ?
C13 Co1 C9 100.12(8) . . ?
C14 Co1 C9 142.15(8) . . ?
C12 Co1 C8 102.01(8) . . ?
C13 Co1 C8 137.61(8) . . ?
C14 Co1 C8 105.76(8) . . ?
C9 Co1 C8 39.55(8) . . ?
C12 Co1 Co2 151.24(6) . . ?
C13 Co1 Co2 98.53(7) . . ?
C14 Co1 Co2 97.32(7) . . ?
C9 Co1 Co2 51.58(6) . . ?
C8 Co1 Co2 50.25(5) . . ?
C17 Co2 C15 100.67(10) . . ?
C17 Co2 C16 99.85(9) . . ?
C15 Co2 C16 101.59(9) . . ?
C17 Co2 C8 98.02(9) . . ?
C15 Co2 C8 144.02(8) . . ?
C16 Co2 C8 105.14(8) . . ?
C17 Co2 C9 99.72(9) . . ?
C15 Co2 C9 106.07(8) . . ?
C16 Co2 C9 142.24(8) . . ?
C8 Co2 C9 40.09(8) . . ?
C17 Co2 Co1 148.33(7) . . ?
C15 Co2 Co1 100.54(7) . . ?
C16 Co2 Co1 98.60(6) . . ?
C8 Co2 Co1 52.14(6) . . ?
C9 Co2 Co1 51.62(6) . . ?
C19 Co3 C18 100.21(9) . . ?
C19 Co3 C20 100.99(10) . . ?
C18 Co3 C20 105.65(10) . . ?
C19 Co3 C10 97.22(9) . . ?
C18 Co3 C10 100.57(9) . . ?
C20 Co3 C10 144.62(9) . . ?
C19 Co3 C11 99.45(9) . . ?
C18 Co3 C11 137.84(8) . . ?
C20 Co3 C11 106.66(9) . . ?
C10 Co3 C11 39.97(8) . . ?
C19 Co3 Co4 147.67(7) . . ?
C18 Co3 Co4 95.99(7) . . ?
C20 Co3 Co4 101.29(7) . . ?
C10 Co3 Co4 52.09(6) . . ?
C11 Co3 Co4 51.54(6) . . ?
C23 Co4 C22 98.15(10) . . ?
C23 Co4 C21 100.06(10) . . ?
C22 Co4 C21 104.02(10) . . ?
C23 Co4 C11 102.92(10) . . ?
C22 Co4 C11 143.22(9) . . ?
C21 Co4 C11 101.56(9) . . ?
C23 Co4 C10 103.16(9) . . ?
C22 Co4 C10 106.38(9) . . ?
C21 Co4 C10 138.27(9) . . ?
C11 Co4 C10 39.53(8) . . ?
C23 Co4 Co3 151.83(7) . . ?
C22 Co4 Co3 98.45(7) . . ?
C21 Co4 Co3 97.80(7) . . ?
C11 Co4 Co3 51.89(6) . . ?
C10 Co4 Co3 50.11(6) . . ?
C7 N1 C1 119.51(16) . . ?
C24 Si1 C9 110.35(10) . . ?
C24 Si1 C25 110.07(13) . . ?
C9 Si1 C25 108.37(11) . . ?
C24 Si1 C26 108.51(12) . . ?
C9 Si1 C26 108.25(10) . . ?
C25 Si1 C26 111.28(13) . . ?
C37 Si2 C27 119.4(8) . . ?
C28 Si2 C27 110.06(15) . . ?
C37 Si2 C11 109.3(10) . . ?
C28 Si2 C11 112.89(14) . . ?
C27 Si2 C11 110.42(11) . . ?
C28 Si2 C29 108.6(3) . . ?
C27 Si2 C29 108.1(3) . . ?
C11 Si2 C29 106.6(4) . . ?
C37 Si2 C35 111.5(6) . . ?
C27 Si2 C35 101.5(3) . . ?
C11 Si2 C35 103.4(3) . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
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 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?

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
N1 C1 C2 C4 5.3(3) . . . . ?
C10 C1 C2 C4 -174.71(16) . . . . ?
N1 C1 C2 C3 -174.95(17) . . . . ?
C10 C1 C2 C3 5.1(3) . . . . ?
C4 C2 C3 C3 -0.7(3) . . . 2_655 ?
C1 C2 C3 C3 179.5(2) . . . 2_655 ?
C1 C2 C4 C5 -2.6(3) . . . . ?
C3 C2 C4 C5 177.57(17) . . . . ?
C1 C2 C4 C4 178.07(19) . . . 2_655 ?
C3 C2 C4 C4 -1.7(3) . . . 2_655 ?
C2 C4 C5 C7 -2.3(3) . . . . ?
C4 C4 C5 C7 176.95(19) 2_655 . . . ?
C2 C4 C5 C6 178.12(17) . . . . ?
C4 C4 C5 C6 -2.6(3) 2_655 . . . ?
C4 C5 C6 C6 -0.9(3) . . . 2_655 ?
C7 C5 C6 C6 179.6(2) . . . 2_655 ?
C4 C5 C7 N1 5.4(3) . . . . ?
C6 C5 C7 N1 -175.09(17) . . . . ?
C4 C5 C7 C8 -172.95(16) . . . . ?
C6 C5 C7 C8 6.6(3) . . . . ?
N1 C7 C8 C9 148.3(3) . . . . ?
C5 C7 C8 C9 -33.2(4) . . . . ?
N1 C7 C8 Co2 17.6(3) . . . . ?
C5 C7 C8 Co2 -164.03(15) . . . . ?
N1 C7 C8 Co1 -99.36(19) . . . . ?
C5 C7 C8 Co1 79.1(2) . . . . ?
C7 C8 C9 Si1 -12.6(5) . . . . ?
Co2 C8 C9 Si1 133.7(3) . . . . ?
Co1 C8 C9 Si1 -143.1(3) . . . . ?
C7 C8 C9 Co2 -146.3(3) . . . . ?
Co1 C8 C9 Co2 83.12(6) . . . . ?
C7 C8 C9 Co1 130.6(3) . . . . ?
Co2 C8 C9 Co1 -83.12(6) . . . . ?
N1 C1 C10 C11 140.0(3) . . . . ?
C2 C1 C10 C11 -40.0(4) . . . . ?
N1 C1 C10 Co3 13.8(3) . . . . ?
C2 C1 C10 Co3 -166.20(14) . . . . ?
N1 C1 C10 Co4 -101.63(19) . . . . ?
C2 C1 C10 Co4 78.4(2) . . . . ?
C1 C10 C11 Si2 -13.1(5) . . . . ?
Co3 C10 C11 Si2 128.2(3) . . . . ?
Co4 C10 C11 Si2 -148.7(3) . . . . ?
C1 C10 C11 Co4 135.7(3) . . . . ?
Co3 C10 C11 Co4 -83.09(6) . . . . ?
C1 C10 C11 Co3 -141.3(3) . . . . ?
Co4 C10 C11 Co3 83.09(6) . . . . ?
C30 C31 C32 C33 -172.5(4) . . . . ?
C36 C31 C32 C33 146.7(7) . . . . ?
C31 C32 C33 C34 179.3(3) . . . . ?
C5 C7 N1 C1 -3.0(3) . . . . ?
C8 C7 N1 C1 175.37(16) . . . . ?
C2 C1 N1 C7 -2.5(3) . . . . ?
C10 C1 N1 C7 177.50(16) . . . . ?
C8 C9 Si1 C24 -141.8(3) . . . . ?
Co2 C9 Si1 C24 -22.94(17) . . . . ?
Co1 C9 Si1 C24 87.49(16) . . . . ?
C8 C9 Si1 C25 -21.2(3) . . . . ?
Co2 C9 Si1 C25 97.65(15) . . . . ?
Co1 C9 Si1 C25 -151.93(14) . . . . ?
C8 C9 Si1 C26 99.6(3) . . . . ?
Co2 C9 Si1 C26 -141.55(13) . . . . ?
Co1 C9 Si1 C26 -31.12(16) . . . . ?
C10 C11 Si2 C37 -21.7(6) . . . . ?
Co4 C11 Si2 C37 -158.5(6) . . . . ?
Co3 C11 Si2 C37 90.5(6) . . . . ?
C10 C11 Si2 C28 81.3(3) . . . . ?
Co4 C11 Si2 C28 -55.4(2) . . . . ?
Co3 C11 Si2 C28 -166.51(18) . . . . ?
C10 C11 Si2 C27 -155.0(3) . . . . ?
Co4 C11 Si2 C27 68.25(17) . . . . ?
Co3 C11 Si2 C27 -42.83(16) . . . . ?
C10 C11 Si2 C29 -37.7(4) . . . . ?
Co4 C11 Si2 C29 -174.5(3) . . . . ?
Co3 C11 Si2 C29 74.4(3) . . . . ?
C10 C11 Si2 C35 97.1(4) . . . . ?
Co4 C11 Si2 C35 -39.6(3) . . . . ?
Co3 C11 Si2 C35 -150.7(3) . . . . ?

_refine_diff_density_max         0.546
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.060

