# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_sun17
_database_code_depnum_ccdc_archive 'CCDC 1548758'
_audit_update_record             
;
2017-08-21 deposited with the CCDC.
2018-01-17 downloaded from the CCDC.
;
_audit_creation_date             2017-03-31
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C51 H64 Cl2 Co N4 P3 Si2), C4 H10 O'
_chemical_formula_sum            'C106 H138 Cl4 Co2 N8 O P6 Si4'
_chemical_formula_weight         2098.08
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0180 0.0090 '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'
Cl Cl 0.3640 0.7020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3650 3.6140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0490 0.0320 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2950 0.4340 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2540 0.3300 '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'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   13.9433(5)
_cell_length_b                   17.2555(7)
_cell_length_c                   24.5173(10)
_cell_angle_alpha                99.180(3)
_cell_angle_beta                 99.723(3)
_cell_angle_gamma                103.830(3)
_cell_volume                     5521.0(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8356
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      61.82
_cell_measurement_theta_min      3.34
_exptl_absorpt_coefficient_mu    4.862
_exptl_absorpt_correction_T_max  0.8170
_exptl_absorpt_correction_T_min  0.5543
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2212
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
30 17 -10 0.0794
-30 22 5 0.0494
-30 -20 23 0.0817
15 -8 -7 0.0434
1 1 30 0.0260
-1 -1 -30 0.0262

_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_diffrn_reflns_av_R_equivalents  0.1348
_diffrn_reflns_av_unetI/netI     0.1612
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49093
_diffrn_reflns_theta_full        65.08
_diffrn_reflns_theta_max         65.08
_diffrn_reflns_theta_min         2.70
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7692
_reflns_number_total             17989
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_computing_structure_solution    
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_refine_diff_density_max         0.930
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1232
_refine_ls_number_reflns         17989
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.1749
_refine_ls_R_factor_gt           0.0949
_refine_ls_restrained_S_all      0.846
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1944P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2452
_refine_ls_wR_factor_ref         0.3026
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Co1 Co -0.20525(11) 0.75327(8) -0.45544(6) 0.0496(4) Uani 1 d . . . .
Cl1 Cl -0.21392(18) 0.86282(13) -0.50217(9) 0.0562(6) Uani 1 d . . . .
Cl2 Cl -0.2508(2) 0.81158(15) -0.30974(11) 0.0712(7) Uani 1 d . . . .
P1 P -0.08298(18) 0.72648(14) -0.49613(10) 0.0517(6) Uani 1 d . . . .
P2 P -0.2566(2) 0.52959(15) -0.28578(11) 0.0607(7) Uani 1 d . . . .
P3 P -0.34450(19) 0.66536(15) -0.50816(11) 0.0574(6) Uani 1 d . . . .
Si1 Si -0.16454(19) 0.66430(14) -0.40316(10) 0.0484(6) Uani 1 d . . . .
Si2 Si -0.2353(2) 0.83867(15) -0.39012(11) 0.0534(6) Uani 1 d . . . .
N1 N -0.1212(5) 0.5965(4) -0.4480(3) 0.0507(18) Uani 1 d . . . .
N2 N -0.2473(6) 0.5794(4) -0.3875(3) 0.0543(19) Uani 1 d . . . .
N3 N -0.1636(6) 0.9483(4) -0.3669(3) 0.0514(18) Uani 1 d . . . .
N4 N -0.3254(6) 0.9010(4) -0.3965(3) 0.0541(19) Uani 1 d . . . .
C1 C -0.0701(7) 0.7085(6) -0.3360(4) 0.059(2) Uani 1 d . . . .
H1A H -0.0196 0.7559 -0.3407 0.089 Uiso 1 calc . . GR .
H1B H -0.0366 0.6675 -0.3255 0.089 Uiso 1 calc . . GR .
H1C H -0.1040 0.7256 -0.3061 0.089 Uiso 1 calc . . GR .
C2 C 0.0434(7) 0.7925(6) -0.4621(4) 0.055(2) Uani 1 d . . . .
C3 C 0.1086(8) 0.7709(6) -0.4219(4) 0.060(2) Uani 1 d . . . .
H3 H 0.0904 0.7176 -0.4144 0.072 Uiso 1 calc . . R .
C4 C 0.1999(8) 0.8252(7) -0.3924(4) 0.064(3) Uani 1 d . . . .
H4 H 0.2425 0.8103 -0.3637 0.076 Uiso 1 calc . . R .
C5 C 0.2281(7) 0.9021(6) -0.4054(4) 0.060(2) Uani 1 d . . . .
H5 H 0.2915 0.9390 -0.3865 0.072 Uiso 1 calc . . R .
C6 C 0.1644(7) 0.9250(6) -0.4457(4) 0.058(2) Uani 1 d . . . .
H6 H 0.1830 0.9778 -0.4539 0.069 Uiso 1 calc . . R .
C7 C 0.0722(7) 0.8692(5) -0.4742(4) 0.051(2) Uani 1 d . . . .
H7 H 0.0287 0.8843 -0.5023 0.061 Uiso 1 calc . . R .
C8 C -0.0797(7) 0.7264(6) -0.5699(4) 0.057(2) Uani 1 d . . . .
C9 C 0.0000(8) 0.7083(7) -0.5920(4) 0.071(3) Uani 1 d . . . .
H9 H 0.0564 0.7019 -0.5672 0.085 Uiso 1 calc . . R .
C10 C -0.0012(9) 0.6995(8) -0.6495(5) 0.077(3) Uani 1 d . . . .
H10 H 0.0552 0.6894 -0.6634 0.093 Uiso 1 calc . . R .
C11 C -0.0847(9) 0.7053(7) -0.6862(5) 0.072(3) Uani 1 d . . . .
H11 H -0.0873 0.6968 -0.7257 0.086 Uiso 1 calc . . R .
C12 C -0.1627(8) 0.7232(6) -0.6655(4) 0.063(3) Uani 1 d . . . .
H12 H -0.2179 0.7305 -0.6909 0.075 Uiso 1 calc . . R .
C13 C -0.1647(8) 0.7314(6) -0.6077(4) 0.063(3) Uani 1 d . . . .
H13 H -0.2223 0.7402 -0.5945 0.075 Uiso 1 calc . . R .
C14 C -0.0749(7) 0.6224(5) -0.4935(4) 0.054(2) Uani 1 d . . . .
H14A H -0.1108 0.5850 -0.5301 0.065 Uiso 1 calc . . R .
H14B H -0.0033 0.6214 -0.4865 0.065 Uiso 1 calc . . R .
C15 C -0.1747(7) 0.5135(5) -0.4557(4) 0.048(2) Uani 1 d . . . .
C16 C -0.1675(8) 0.4478(6) -0.4928(4) 0.057(2) Uani 1 d . . . .
H16 H -0.1197 0.4540 -0.5163 0.068 Uiso 1 calc . . R .
C17 C -0.2338(8) 0.3703(6) -0.4951(4) 0.063(3) Uani 1 d . . . .
H17 H -0.2305 0.3239 -0.5206 0.075 Uiso 1 calc . . R .
C18 C -0.3013(8) 0.3614(6) -0.4616(4) 0.062(3) Uani 1 d . . . .
H18 H -0.3450 0.3089 -0.4641 0.074 Uiso 1 calc . . R .
C19 C -0.3080(7) 0.4280(5) -0.4235(4) 0.050(2) Uani 1 d . . . .
H19 H -0.3549 0.4207 -0.3995 0.060 Uiso 1 calc . . R .
C20 C -0.2462(7) 0.5045(5) -0.4208(4) 0.054(2) Uani 1 d . . . .
C21 C -0.3061(7) 0.5776(6) -0.3449(4) 0.057(2) Uani 1 d . . . .
H21A H -0.3770 0.5464 -0.3626 0.068 Uiso 1 calc . . R .
H21B H -0.3059 0.6340 -0.3288 0.068 Uiso 1 calc . . R .
C22 C -0.3786(9) 0.4810(6) -0.2681(4) 0.067(3) Uani 1 d . . . .
C23 C -0.4079(10) 0.3960(8) -0.2839(5) 0.092(4) Uani 1 d . . . .
H23 H -0.3657 0.3673 -0.2999 0.111 Uiso 1 calc . . R .
C24 C -0.5057(12) 0.3525(9) -0.2749(6) 0.095(4) Uani 1 d . . . .
H24 H -0.5310 0.2950 -0.2874 0.114 Uiso 1 calc . . R .
C25 C -0.5586(15) 0.3955(15) -0.2486(7) 0.130(6) Uani 1 d . . . .
H25 H -0.6204 0.3669 -0.2409 0.155 Uiso 1 calc . . R .
C26 C -0.5289(12) 0.4768(14) -0.2326(9) 0.134(6) Uani 1 d . . . .
H26 H -0.5702 0.5049 -0.2150 0.161 Uiso 1 calc . . R .
C27 C -0.4350(10) 0.5212(9) -0.2420(6) 0.097(4) Uani 1 d . . . .
H27 H -0.4125 0.5789 -0.2298 0.117 Uiso 1 calc . . R .
C28 C -0.2001(7) 0.6174(6) -0.2267(4) 0.055(2) Uani 1 d . . . .
C29 C -0.2357(9) 0.6865(6) -0.2163(4) 0.068(3) Uani 1 d . . . .
H29 H -0.2950 0.6901 -0.2402 0.081 Uiso 1 calc . . R .
C30 C -0.1832(10) 0.7495(7) -0.1708(5) 0.078(3) Uani 1 d . . . .
H30 H -0.2070 0.7966 -0.1639 0.094 Uiso 1 calc . . R .
C31 C -0.0977(10) 0.7457(8) -0.1353(5) 0.084(3) Uani 1 d . . . .
H31 H -0.0643 0.7889 -0.1036 0.101 Uiso 1 calc . . R .
C32 C -0.0608(9) 0.6788(8) -0.1460(5) 0.078(3) Uani 1 d . . . .
H32 H -0.0011 0.6761 -0.1220 0.094 Uiso 1 calc . . R .
C33 C -0.1104(8) 0.6157(7) -0.1916(5) 0.068(3) Uani 1 d . . . .
H33 H -0.0835 0.5704 -0.1993 0.081 Uiso 1 calc . . R .
C34 C -0.0582(7) 0.9963(6) -0.3497(4) 0.055(2) Uani 1 d . . . .
C35 C -0.0251(8) 1.0377(6) -0.3974(5) 0.066(3) Uani 1 d . . . .
H35A H -0.0431 0.9970 -0.4329 0.099 Uiso 1 calc . . GR .
H35B H 0.0482 1.0622 -0.3876 0.099 Uiso 1 calc . . GR .
H35C H -0.0595 1.0804 -0.4021 0.099 Uiso 1 calc . . GR .
C36 C 0.0069(7) 0.9389(6) -0.3367(5) 0.062(3) Uani 1 d . . . .
H36A H -0.0202 0.9064 -0.3106 0.093 Uiso 1 calc . . GR .
H36B H 0.0766 0.9710 -0.3192 0.093 Uiso 1 calc . . GR .
H36C H 0.0061 0.9024 -0.3718 0.093 Uiso 1 calc . . GR .
C37 C -0.0411(8) 1.0616(7) -0.2960(5) 0.078(3) Uani 1 d . . . .
H37A H -0.0786 1.1012 -0.3042 0.116 Uiso 1 calc . . GR .
H37B H 0.0312 1.0896 -0.2834 0.116 Uiso 1 calc . . GR .
H37C H -0.0649 1.0356 -0.2662 0.116 Uiso 1 calc . . GR .
C38 C -0.2506(7) 0.9702(5) -0.3783(4) 0.049(2) Uani 1 d . . . .
C39 C -0.2560(7) 1.0557(5) -0.3759(4) 0.051(2) Uani 1 d . . . .
C40 C -0.2635(7) 1.1032(5) -0.3256(4) 0.051(2) Uani 1 d . . . .
H40 H -0.2632 1.0821 -0.2921 0.062 Uiso 1 calc . . R .
C41 C -0.2715(7) 1.1826(6) -0.3260(5) 0.061(2) Uani 1 d . . . .
H41 H -0.2758 1.2158 -0.2921 0.073 Uiso 1 calc . . R .
C42 C -0.2734(8) 1.2130(6) -0.3739(5) 0.064(3) Uani 1 d . . . .
H42 H -0.2796 1.2667 -0.3734 0.077 Uiso 1 calc . . R .
C43 C -0.2660(8) 1.1646(6) -0.4239(5) 0.067(3) Uani 1 d . . . .
H43 H -0.2663 1.1857 -0.4574 0.080 Uiso 1 calc . . R .
C44 C -0.2584(7) 1.0868(6) -0.4242(4) 0.058(2) Uani 1 d . . . .
H44 H -0.2547 1.0538 -0.4583 0.069 Uiso 1 calc . . R .
C45 C -0.4343(8) 0.8925(6) -0.4006(5) 0.073(3) Uani 1 d . . . .
C46 C -0.4538(9) 0.9230(7) -0.3407(5) 0.077(3) Uani 1 d . . . .
H46A H -0.4309 0.8905 -0.3145 0.115 Uiso 1 calc . . GR .
H46B H -0.5263 0.9170 -0.3437 0.115 Uiso 1 calc . . GR .
H46C H -0.4164 0.9806 -0.3266 0.115 Uiso 1 calc . . GR .
C47 C -0.4873(8) 0.8002(6) -0.4171(6) 0.075(3) Uani 1 d . . . .
H47A H -0.4721 0.7770 -0.4527 0.113 Uiso 1 calc . . GR .
H47B H -0.5605 0.7914 -0.4217 0.113 Uiso 1 calc . . GR .
H47C H -0.4628 0.7736 -0.3873 0.113 Uiso 1 calc . . GR .
C48 C -0.4777(10) 0.9352(8) -0.4421(6) 0.086(3) Uani 1 d . . . .
H48A H -0.4505 0.9943 -0.4282 0.129 Uiso 1 calc . . GR .
H48B H -0.5515 0.9202 -0.4470 0.129 Uiso 1 calc . . GR .
H48C H -0.4599 0.9193 -0.4784 0.129 Uiso 1 calc . . GR .
C49 C -0.4191(7) 0.7085(6) -0.5572(4) 0.063(3) Uani 1 d . . . .
H49A H -0.4397 0.7525 -0.5360 0.095 Uiso 1 calc . . GR .
H49B H -0.4794 0.6658 -0.5790 0.095 Uiso 1 calc . . GR .
H49C H -0.3784 0.7302 -0.5831 0.095 Uiso 1 calc . . GR .
C50 C -0.4351(8) 0.6146(6) -0.4723(5) 0.068(3) Uani 1 d . . . .
H50A H -0.4110 0.5720 -0.4568 0.102 Uiso 1 calc . . GR .
H50B H -0.5002 0.5898 -0.4990 0.102 Uiso 1 calc . . GR .
H50C H -0.4436 0.6543 -0.4414 0.102 Uiso 1 calc . . GR .
C51 C -0.3362(8) 0.5768(6) -0.5583(4) 0.061(2) Uani 1 d . . . .
H51A H -0.2949 0.5957 -0.5847 0.092 Uiso 1 calc . . GR .
H51B H -0.4042 0.5455 -0.5795 0.092 Uiso 1 calc . . GR .
H51C H -0.3050 0.5419 -0.5374 0.092 Uiso 1 calc . . GR .
Co2 Co 0.28245(11) 0.73796(9) 0.03300(6) 0.0488(4) Uani 1 d . . . .
Cl3 Cl 0.10669(17) 0.68690(13) -0.00841(9) 0.0537(5) Uani 1 d . . . .
Cl4 Cl 0.31336(18) 0.85503(15) 0.18133(10) 0.0645(6) Uani 1 d . . . .
P4 P 0.31487(18) 0.63007(14) -0.01386(10) 0.0506(6) Uani 1 d . . . .
P5 P 0.6884(2) 0.92696(17) 0.19374(11) 0.0618(7) Uani 1 d . . . .
P6 P 0.3190(2) 0.83276(15) -0.01647(12) 0.0601(7) Uani 1 d . . . .
Si3 Si 0.44510(19) 0.76063(14) 0.07877(10) 0.0490(6) Uani 1 d A . . .
Si4 Si 0.2197(2) 0.78111(15) 0.10374(11) 0.0530(6) Uani 1 d . . . .
N5 N 0.5044(5) 0.7193(4) 0.0283(3) 0.0490(17) Uani 1 d A . . .
N6 N 0.5460(5) 0.8516(4) 0.0956(3) 0.0482(17) Uani 1 d . . . .
N7 N 0.1229(5) 0.7164(4) 0.1313(3) 0.0490(18) Uani 1 d . . . .
N8 N 0.1110(6) 0.8244(4) 0.1021(3) 0.0515(18) Uani 1 d . . . .
C52 C 0.4635(7) 0.7188(6) 0.1439(4) 0.057(2) Uani 1 d . . . .
H52A H 0.4476 0.7536 0.1749 0.085 Uiso 1 calc A . GR .
H52B H 0.5339 0.7173 0.1543 0.085 Uiso 1 calc . . GR .
H52C H 0.4186 0.6634 0.1370 0.085 Uiso 1 calc . . GR .
C53 C 0.2535(7) 0.5805(5) -0.0864(4) 0.052(2) Uani 1 d . . . .
C54 C 0.1985(7) 0.6193(6) -0.1221(4) 0.059(2) Uani 1 d . . . .
H54 H 0.1883 0.6703 -0.1072 0.071 Uiso 1 calc . . R .
C55 C 0.1591(8) 0.5827(6) -0.1792(5) 0.068(3) Uani 1 d . . . .
H55 H 0.1204 0.6082 -0.2026 0.082 Uiso 1 calc . . R .
C56 C 0.1760(9) 0.5092(7) -0.2020(5) 0.077(3) Uani 1 d . . . .
H56 H 0.1504 0.4858 -0.2412 0.093 Uiso 1 calc . . R .
C57 C 0.2297(9) 0.4701(6) -0.1683(4) 0.067(3) Uani 1 d . . . .
H57 H 0.2399 0.4194 -0.1839 0.080 Uiso 1 calc . . R .
C58 C 0.2685(8) 0.5058(5) -0.1115(4) 0.058(2) Uani 1 d . . . .
H58 H 0.3065 0.4792 -0.0887 0.070 Uiso 1 calc . . R .
C59 C 0.3003(7) 0.5449(5) 0.0203(4) 0.048(2) Uani 1 d . . . .
C60 C 0.2004(7) 0.4987(5) 0.0214(4) 0.054(2) Uani 1 d . . . .
H60 H 0.1434 0.5097 0.0003 0.064 Uiso 1 calc . . R .
C61 C 0.1858(8) 0.4387(5) 0.0526(4) 0.055(2) Uani 1 d . . . .
H61 H 0.1190 0.4090 0.0525 0.066 Uiso 1 calc . . R .
C62 C 0.2666(9) 0.4213(6) 0.0837(4) 0.065(3) Uani 1 d . . . .
H62 H 0.2553 0.3806 0.1057 0.078 Uiso 1 calc . . R .
C63 C 0.3657(9) 0.4631(6) 0.0832(4) 0.064(3) Uani 1 d . . . .
H63 H 0.4215 0.4490 0.1030 0.077 Uiso 1 calc . . R .
C64 C 0.3819(8) 0.5257(6) 0.0534(4) 0.062(3) Uani 1 d . . . .
H64 H 0.4492 0.5563 0.0554 0.074 Uiso 1 calc . . R .
C65 C 0.4478(7) 0.6540(5) -0.0203(4) 0.055(2) Uani 1 d . . . .
H65A H 0.4735 0.6053 -0.0199 0.066 Uiso 1 calc . . R .
H65B H 0.4546 0.6723 -0.0561 0.066 Uiso 1 calc . . R .
C66 C 0.5899(7) 0.7762(5) 0.0188(4) 0.051(2) Uani 1 d . . . .
C67 C 0.6444(7) 0.7680(6) -0.0212(4) 0.053(2) Uani 1 d A . . .
H67 H 0.6269 0.7185 -0.0487 0.064 Uiso 1 calc . . R .
C68 C 0.7276(7) 0.8330(6) -0.0223(4) 0.055(2) Uani 1 d . . . .
H68 H 0.7672 0.8275 -0.0499 0.066 Uiso 1 calc A . R .
C69 C 0.7496(8) 0.9039(6) 0.0172(4) 0.061(2) Uani 1 d A . . .
H69 H 0.8058 0.9474 0.0167 0.073 Uiso 1 calc . . R .
C70 C 0.6934(7) 0.9151(6) 0.0580(4) 0.054(2) Uani 1 d . . . .
H70 H 0.7109 0.9652 0.0847 0.065 Uiso 1 calc A . R .
C71 C 0.6107(7) 0.8516(5) 0.0590(4) 0.051(2) Uani 1 d A . . .
C72 C 0.5681(7) 0.9199(5) 0.1435(4) 0.056(2) Uani 1 d A . . .
H72A H 0.5117 0.9126 0.1636 0.067 Uiso 1 calc . . R .
H72B H 0.5741 0.9713 0.1297 0.067 Uiso 1 calc . . R .
C79 C 0.6503(7) 0.9099(5) 0.2596(4) 0.057(2) Uani 1 d A . . .
C80 C 0.5601(7) 0.9125(6) 0.2757(4) 0.061(3) Uani 1 d . . . .
H80 H 0.5096 0.9255 0.2505 0.073 Uiso 1 calc A . R .
C81 C 0.5407(8) 0.8967(6) 0.3270(5) 0.066(3) Uani 1 d A . . .
H81 H 0.4765 0.8954 0.3356 0.079 Uiso 1 calc . . R .
C82 C 0.6171(8) 0.8828(6) 0.3661(4) 0.062(2) Uani 1 d . . . .
H82 H 0.6060 0.8744 0.4021 0.074 Uiso 1 calc A . R .
C83 C 0.7078(9) 0.8813(6) 0.3522(5) 0.065(3) Uani 1 d A . . .
H83 H 0.7593 0.8712 0.3786 0.078 Uiso 1 calc . . R .
C84 C 0.7251(7) 0.8944(5) 0.2998(4) 0.054(2) Uani 1 d . . . .
H84 H 0.7883 0.8929 0.2908 0.064 Uiso 1 calc A . R .
C85 C 0.1047(6) 0.6375(5) 0.1502(4) 0.046(2) Uani 1 d . . . .
C86 C 0.0655(7) 0.6472(6) 0.2070(4) 0.057(2) Uani 1 d . . . .
H86A H 0.1047 0.6994 0.2321 0.086 Uiso 1 calc . . GR .
H86B H 0.0737 0.6024 0.2257 0.086 Uiso 1 calc . . GR .
H86C H -0.0062 0.6460 0.1985 0.086 Uiso 1 calc . . GR .
C87 C 0.2052(7) 0.6180(6) 0.1634(4) 0.056(2) Uani 1 d . . . .
H87A H 0.2284 0.6058 0.1282 0.085 Uiso 1 calc . . GR .
H87B H 0.1972 0.5706 0.1812 0.085 Uiso 1 calc . . GR .
H87C H 0.2550 0.6650 0.1892 0.085 Uiso 1 calc . . GR .
C88 C 0.0284(7) 0.5697(5) 0.1052(4) 0.057(2) Uani 1 d . . . .
H88A H -0.0382 0.5804 0.1008 0.086 Uiso 1 calc . . GR .
H88B H 0.0241 0.5173 0.1166 0.086 Uiso 1 calc . . GR .
H88C H 0.0500 0.5678 0.0691 0.086 Uiso 1 calc . . GR .
C89 C 0.0606(7) 0.7624(5) 0.1205(3) 0.047(2) Uani 1 d . . . .
C90 C -0.0492(7) 0.7456(5) 0.1233(4) 0.052(2) Uani 1 d . . . .
C91 C -0.0816(8) 0.7703(5) 0.1725(4) 0.054(2) Uani 1 d . . . .
H91 H -0.0334 0.7965 0.2067 0.064 Uiso 1 calc . . R .
C92 C -0.1836(9) 0.7566(6) 0.1715(5) 0.063(3) Uani 1 d . . . .
H92 H -0.2062 0.7738 0.2046 0.076 Uiso 1 calc . . R .
C93 C -0.2525(8) 0.7171(6) 0.1213(5) 0.063(3) Uani 1 d . . . .
H93 H -0.3226 0.7092 0.1201 0.075 Uiso 1 calc . . R .
C94 C -0.2222(7) 0.6891(6) 0.0729(4) 0.058(2) Uani 1 d . . . .
H94 H -0.2711 0.6599 0.0396 0.069 Uiso 1 calc . . R .
C95 C -0.1200(7) 0.7039(5) 0.0733(4) 0.053(2) Uani 1 d . . . .
H95 H -0.0981 0.6859 0.0401 0.064 Uiso 1 calc . . R .
C96 C 0.0797(8) 0.8976(5) 0.0879(4) 0.060(3) Uani 1 d . . . .
C97 C 0.0328(12) 0.9363(8) 0.1314(7) 0.108(5) Uani 1 d . . . .
H97A H -0.0361 0.9025 0.1281 0.162 Uiso 1 calc . . GR .
H97B H 0.0305 0.9907 0.1254 0.162 Uiso 1 calc . . GR .
H97C H 0.0732 0.9412 0.1692 0.162 Uiso 1 calc . . GR .
C98 C 0.1776(9) 0.9594(6) 0.0852(5) 0.071(3) Uani 1 d . . . .
H98A H 0.2255 0.9727 0.1218 0.106 Uiso 1 calc . . GR .
H98B H 0.1621 1.0092 0.0766 0.106 Uiso 1 calc . . GR .
H98C H 0.2077 0.9358 0.0556 0.106 Uiso 1 calc . . GR .
C99 C 0.0066(9) 0.8727(8) 0.0289(6) 0.088(4) Uani 1 d . . . .
H99A H 0.0348 0.8412 0.0020 0.132 Uiso 1 calc . . GR .
H99B H -0.0020 0.9218 0.0158 0.132 Uiso 1 calc . . GR .
H99C H -0.0592 0.8392 0.0318 0.132 Uiso 1 calc . . GR .
C100 C 0.3922(8) 0.9343(6) 0.0232(5) 0.073(3) Uani 1 d . . . .
H10A H 0.3726 0.9451 0.0596 0.110 Uiso 1 calc . . GR .
H10B H 0.3789 0.9751 0.0016 0.110 Uiso 1 calc . . GR .
H10C H 0.4644 0.9374 0.0298 0.110 Uiso 1 calc . . GR .
C101 C 0.3925(8) 0.8202(8) -0.0708(5) 0.082(3) Uani 1 d . . . .
H10D H 0.4620 0.8236 -0.0527 0.123 Uiso 1 calc . . GR .
H10E H 0.3928 0.8635 -0.0923 0.123 Uiso 1 calc . . GR .
H10F H 0.3619 0.7669 -0.0964 0.123 Uiso 1 calc . . GR .
C102 C 0.2116(8) 0.8531(6) -0.0592(4) 0.062(3) Uani 1 d . . . .
H10G H 0.1686 0.8022 -0.0841 0.094 Uiso 1 calc . . GR .
H10H H 0.2359 0.8923 -0.0820 0.094 Uiso 1 calc . . GR .
H10I H 0.1725 0.8759 -0.0343 0.094 Uiso 1 calc . . GR .
C73 C 0.7535(9) 1.0320(6) 0.2078(5) 0.066(4) Uani 0.68(2) d A 1 . U
C74 C 0.8492(9) 1.0551(7) 0.1961(5) 0.078(5) Uani 0.68(2) d A 1 G U
H74 H 0.8803 1.0147 0.1827 0.094 Uiso 0.68(2) calc A 1 R .
C75 C 0.8994(8) 1.1373(7) 0.2041(6) 0.092(6) Uani 0.68(2) d A 1 G U
H75 H 0.9648 1.1531 0.1962 0.111 Uiso 0.68(2) calc A 1 R .
C76 C 0.8540(10) 1.1965(6) 0.2238(6) 0.086(7) Uani 0.68(2) d A 1 G U
H76 H 0.8883 1.2527 0.2293 0.103 Uiso 0.68(2) calc A 1 R .
C77 C 0.7583(10) 1.1734(7) 0.2355(6) 0.105(7) Uani 0.68(2) d A 1 G U
H77 H 0.7272 1.2139 0.2489 0.126 Uiso 0.68(2) calc A 1 R .
C78 C 0.7080(8) 1.0912(7) 0.2275(6) 0.078(5) Uani 0.68(2) d A 1 G U
H78 H 0.6426 1.0754 0.2354 0.093 Uiso 0.68(2) calc A 1 R .
C73' C 0.7242(18) 1.0499(11) 0.2166(11) 0.078(10) Uani 0.32(2) d A 2 . U
C74' C 0.8208(16) 1.0891(16) 0.2117(11) 0.062(9) Uani 0.32(2) d A 2 G U
H74' H 0.8648 1.0580 0.2008 0.075 Uiso 0.32(2) calc A 2 R .
C75' C 0.8529(17) 1.1739(16) 0.2225(14) 0.13(2) Uani 0.32(2) d A 2 G U
H75' H 0.9189 1.2007 0.2192 0.150 Uiso 0.32(2) calc A 2 R .
C76' C 0.789(2) 1.2194(11) 0.2384(15) 0.104(15) Uani 0.32(2) d A 2 G U
H76' H 0.8105 1.2773 0.2458 0.125 Uiso 0.32(2) calc A 2 R .
C77' C 0.692(2) 1.1802(13) 0.2433(12) 0.097(14) Uani 0.32(2) d A 2 G U
H77' H 0.6479 1.2113 0.2542 0.117 Uiso 0.32(2) calc A 2 R .
C78' C 0.6598(15) 1.0954(13) 0.2324(10) 0.051(8) Uani 0.32(2) d A 2 G U
H78' H 0.5938 1.0686 0.2358 0.061 Uiso 0.32(2) calc A 2 R .
O1B O -0.1805(17) 0.4321(19) -0.6741(12) 0.187(11) Uiso 0.50 d B 3 D .
C03B C -0.0740(17) 0.4661(18) -0.6404(11) 0.106(8) Uiso 0.50 d B 3 D .
H03A H -0.0548 0.4237 -0.6215 0.127 Uiso 0.50 calc B 3 R .
H03B H -0.0716 0.5128 -0.6105 0.127 Uiso 0.50 calc B 3 R .
C04B C 0.003(2) 0.494(3) -0.6745(18) 0.199(19) Uiso 0.50 d B 3 D .
H04A H -0.0053 0.4505 -0.7075 0.298 Uiso 0.50 calc B 3 GR .
H04B H 0.0710 0.5064 -0.6511 0.298 Uiso 0.50 calc B 3 GR .
H04C H -0.0073 0.5429 -0.6873 0.298 Uiso 0.50 calc B 3 GR .
C5B C -0.255(2) 0.404(3) -0.6409(16) 0.20(2) Uiso 0.50 d B 3 D .
H5BA H -0.2491 0.4498 -0.6093 0.244 Uiso 0.50 calc B 3 R .
H5BB H -0.2368 0.3598 -0.6240 0.244 Uiso 0.50 calc B 3 R .
C6B C -0.365(2) 0.373(3) -0.672(2) 0.184(18) Uiso 0.50 d B 3 D .
H6BA H -0.3809 0.4127 -0.6948 0.276 Uiso 0.50 calc B 3 GR .
H6BB H -0.4085 0.3672 -0.6452 0.276 Uiso 0.50 calc B 3 GR .
H6BC H -0.3755 0.3205 -0.6976 0.276 Uiso 0.50 calc B 3 GR .
O1 O -0.460(3) 0.270(2) -0.7367(15) 0.244(11) Uiso 0.50 d C 4 D .
C103 C -0.382(4) 0.348(3) -0.729(2) 0.244(11) Uiso 0.50 d C 4 D .
H10J H -0.4154 0.3934 -0.7262 0.292 Uiso 0.50 calc C 4 R .
H10K H -0.3536 0.3480 -0.7636 0.292 Uiso 0.50 calc C 4 R .
C104 C -0.296(4) 0.366(4) -0.677(3) 0.244(11) Uiso 0.50 d C 4 D .
H10L H -0.2679 0.3193 -0.6777 0.365 Uiso 0.50 calc C 4 GR .
H10M H -0.3216 0.3764 -0.6430 0.365 Uiso 0.50 calc C 4 GR .
H10N H -0.2428 0.4146 -0.6785 0.365 Uiso 0.50 calc C 4 GR .
C105 C -0.519(4) 0.238(3) -0.7985(18) 0.244(11) Uiso 0.50 d C 4 D .
H10O H -0.5722 0.2661 -0.8066 0.292 Uiso 0.50 calc C 4 R .
H10P H -0.4723 0.2491 -0.8244 0.292 Uiso 0.50 calc C 4 R .
C106 C -0.567(4) 0.146(3) -0.808(2) 0.244(11) Uiso 0.50 d C 4 D .
H10Q H -0.6282 0.1300 -0.8381 0.365 Uiso 0.50 calc C 4 GR .
H10R H -0.5846 0.1325 -0.7730 0.365 Uiso 0.50 calc C 4 GR .
H10S H -0.5188 0.1166 -0.8190 0.365 Uiso 0.50 calc C 4 GR .
H2 H -0.13(3) 0.79(2) -0.410(17) 0.365 Uiso 1 d . . R .
H H 0.27(3) 0.67(2) 0.055(17) 0.365 Uiso 1 d . . R .


_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 Cl1 2.378(2) . ?
Co1 P1 2.218(3) . ?
Co1 P3 2.205(3) . ?
Co1 Si1 2.263(3) . ?
Co1 Si2 2.163(3) . ?
Co1 H2 1.4(4) . ?
Cl2 Si2 2.130(4) . ?
P1 C2 1.828(10) . ?
P1 C8 1.817(10) . ?
P1 C14 1.836(9) . ?
P2 C21 1.893(9) . ?
P2 C22 1.863(11) . ?
P2 C28 1.832(10) . ?
P3 C49 1.821(9) . ?
P3 C50 1.798(11) . ?
P3 C51 1.843(9) . ?
Si1 N1 1.759(7) . ?
Si1 N2 1.774(8) . ?
Si1 C1 1.848(10) . ?
Si2 N3 1.860(8) . ?
Si2 N4 1.841(7) . ?
Si2 C38 2.308(9) . ?
Si2 H2 2.0(4) . ?
N1 C14 1.459(11) . ?
N1 C15 1.413(11) . ?
N2 C20 1.418(11) . ?
N2 C21 1.432(11) . ?
N3 C34 1.456(12) . ?
N3 C38 1.353(10) . ?
N4 C38 1.339(11) . ?
N4 C45 1.476(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.383(13) . ?
C2 C7 1.384(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.394(14) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.399(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.392(13) . ?
C8 C13 1.405(13) . ?
C9 H9 0.9500 . ?
C9 C10 1.389(15) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(15) . ?
C11 H11 0.9500 . ?
C11 C12 1.355(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.408(13) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.371(12) . ?
C15 C20 1.417(13) . ?
C16 H16 0.9500 . ?
C16 C17 1.419(14) . ?
C17 H17 0.9500 . ?
C17 C18 1.346(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.393(13) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.395(16) . ?
C22 C27 1.341(16) . ?
C23 H23 0.9500 . ?
C23 C24 1.462(19) . ?
C24 H24 0.9500 . ?
C24 C25 1.33(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.34(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.43(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.401(13) . ?
C28 C33 1.403(13) . ?
C29 H29 0.9500 . ?
C29 C30 1.386(15) . ?
C30 H30 0.9500 . ?
C30 C31 1.374(16) . ?
C31 H31 0.9500 . ?
C31 C32 1.380(17) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(16) . ?
C33 H33 0.9500 . ?
C34 C35 1.544(14) . ?
C34 C36 1.531(12) . ?
C34 C37 1.532(13) . ?
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 . ?
C38 C39 1.487(12) . ?
C39 C40 1.401(12) . ?
C39 C44 1.373(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.403(12) . ?
C41 H41 0.9500 . ?
C41 C42 1.358(14) . ?
C42 H42 0.9500 . ?
C42 C43 1.403(14) . ?
C43 H43 0.9500 . ?
C43 C44 1.372(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.568(15) . ?
C45 C47 1.541(14) . ?
C45 C48 1.479(15) . ?
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 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
Co2 Cl3 2.378(3) . ?
Co2 P4 2.210(3) . ?
Co2 P6 2.202(3) . ?
Co2 Si3 2.265(3) . ?
Co2 Si4 2.177(3) . ?
Co2 H 1.3(4) . ?
Cl4 Si4 2.131(4) . ?
P4 C53 1.811(10) . ?
P4 C59 1.792(9) . ?
P4 C65 1.840(9) . ?
P5 C72 1.871(10) . ?
P5 C79 1.829(10) . ?
P5 C73 1.772(9) . ?
P5 C73' 2.021(19) . ?
P6 C100 1.824(11) . ?
P6 C101 1.829(12) . ?
P6 C102 1.816(9) . ?
Si3 N5 1.752(8) . ?
Si3 N6 1.776(8) . ?
Si3 C52 1.860(9) . ?
Si4 N7 1.832(8) . ?
Si4 N8 1.840(8) . ?
Si4 C89 2.280(9) . ?
N5 C65 1.462(12) . ?
N5 C66 1.431(11) . ?
N6 C71 1.375(11) . ?
N6 C72 1.458(11) . ?
N7 C85 1.485(10) . ?
N7 C89 1.332(10) . ?
N8 C89 1.319(11) . ?
N8 C96 1.504(11) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.417(13) . ?
C53 C58 1.415(12) . ?
C54 H54 0.9500 . ?
C54 C55 1.397(14) . ?
C55 H55 0.9500 . ?
C55 C56 1.392(14) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(15) . ?
C57 H57 0.9500 . ?
C57 C58 1.388(14) . ?
C58 H58 0.9500 . ?
C59 C60 1.436(13) . ?
C59 C64 1.421(12) . ?
C60 H60 0.9500 . ?
C60 C61 1.379(12) . ?
C61 H61 0.9500 . ?
C61 C62 1.374(14) . ?
C62 H62 0.9500 . ?
C62 C63 1.401(15) . ?
C63 H63 0.9500 . ?
C63 C64 1.393(13) . ?
C64 H64 0.9500 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.348(12) . ?
C66 C71 1.438(12) . ?
C67 H67 0.9500 . ?
C67 C68 1.415(13) . ?
C68 H68 0.9500 . ?
C68 C69 1.369(13) . ?
C69 H69 0.9500 . ?
C69 C70 1.387(13) . ?
C70 H70 0.9500 . ?
C70 C71 1.395(13) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C79 C80 1.388(13) . ?
C79 C84 1.414(12) . ?
C80 H80 0.9500 . ?
C80 C81 1.385(14) . ?
C81 H81 0.9500 . ?
C81 C82 1.400(14) . ?
C82 H82 0.9500 . ?
C82 C83 1.369(14) . ?
C83 H83 0.9500 . ?
C83 C84 1.390(14) . ?
C84 H84 0.9500 . ?
C85 C86 1.580(12) . ?
C85 C87 1.512(12) . ?
C85 C88 1.522(13) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C90 1.504(13) . ?
C90 C91 1.397(12) . ?
C90 C95 1.402(13) . ?
C91 H91 0.9500 . ?
C91 C92 1.380(14) . ?
C92 H92 0.9500 . ?
C92 C93 1.386(15) . ?
C93 H93 0.9500 . ?
C93 C94 1.378(14) . ?
C94 H94 0.9500 . ?
C94 C95 1.385(13) . ?
C95 H95 0.9500 . ?
C96 C97 1.493(14) . ?
C96 C98 1.537(15) . ?
C96 C99 1.552(16) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C102 H10I 0.9800 . ?
C73 C74 1.3900 . ?
C73 C78 1.3900 . ?
C74 H74 0.9500 . ?
C74 C75 1.3900 . ?
C75 H75 0.9500 . ?
C75 C76 1.3900 . ?
C76 H76 0.9500 . ?
C76 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C78 1.3900 . ?
C78 H78 0.9500 . ?
C73' C74' 1.3900 . ?
C73' C78' 1.3900 . ?
C74' H74' 0.9500 . ?
C74' C75' 1.3900 . ?
C75' H75' 0.9500 . ?
C75' C76' 1.3900 . ?
C76' H76' 0.9500 . ?
C76' C77' 1.3900 . ?
C77' H77' 0.9500 . ?
C77' C78' 1.3900 . ?
C78' H78' 0.9500 . ?
O1B C03B 1.498(18) . ?
O1B C5B 1.465(19) . ?
C03B H03A 0.9900 . ?
C03B H03B 0.9900 . ?
C03B C04B 1.504(18) . ?
C04B H04A 0.9800 . ?
C04B H04B 0.9800 . ?
C04B H04C 0.9800 . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C5B C6B 1.518(19) . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
O1 C103 1.48(2) . ?
O1 C105 1.539(19) . ?
C103 H10J 0.9900 . ?
C103 H10K 0.9900 . ?
C103 C104 1.53(2) . ?
C104 H10L 0.9800 . ?
C104 H10M 0.9800 . ?
C104 H10N 0.9800 . ?
C105 H10O 0.9900 . ?
C105 H10P 0.9900 . ?
C105 C106 1.53(2) . ?
C106 H10Q 0.9800 . ?
C106 H10R 0.9800 . ?
C106 H10S 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
Cl1 Co1 H2 101(10) . . ?
P1 Co1 Cl1 92.12(9) . . ?
P1 Co1 Si1 82.40(9) . . ?
P1 Co1 H2 84(10) . . ?
P3 Co1 Cl1 96.66(10) . . ?
P3 Co1 P1 104.30(11) . . ?
P3 Co1 Si1 94.59(10) . . ?
P3 Co1 H2 160(10) . . ?
Si1 Co1 Cl1 168.42(12) . . ?
Si1 Co1 H2 68(10) . . ?
Si2 Co1 Cl1 79.12(9) . . ?
Si2 Co1 P1 142.73(12) . . ?
Si2 Co1 P3 112.63(12) . . ?
Si2 Co1 Si1 99.08(10) . . ?
Si2 Co1 H2 63(10) . . ?
C2 P1 Co1 114.4(3) . . ?
C2 P1 C14 105.1(4) . . ?
C8 P1 Co1 124.5(3) . . ?
C8 P1 C2 100.1(4) . . ?
C8 P1 C14 99.9(4) . . ?
C14 P1 Co1 110.4(3) . . ?
C22 P2 C21 99.3(4) . . ?
C28 P2 C21 102.9(4) . . ?
C28 P2 C22 102.9(5) . . ?
C49 P3 Co1 114.4(4) . . ?
C49 P3 C51 98.9(5) . . ?
C50 P3 Co1 117.4(4) . . ?
C50 P3 C49 103.5(5) . . ?
C50 P3 C51 99.8(5) . . ?
C51 P3 Co1 119.9(3) . . ?
N1 Si1 Co1 105.4(2) . . ?
N1 Si1 N2 89.2(3) . . ?
N1 Si1 C1 110.4(4) . . ?
N2 Si1 Co1 128.0(3) . . ?
N2 Si1 C1 103.4(4) . . ?
C1 Si1 Co1 116.6(3) . . ?
Co1 Si2 C38 136.7(2) . . ?
Co1 Si2 H2 38(10) . . ?
Cl2 Si2 Co1 121.98(13) . . ?
Cl2 Si2 C38 101.3(2) . . ?
Cl2 Si2 H2 105(10) . . ?
N3 Si2 Co1 124.4(3) . . ?
N3 Si2 Cl2 99.2(3) . . ?
N3 Si2 C38 35.9(3) . . ?
N3 Si2 H2 100(10) . . ?
N4 Si2 Co1 128.9(3) . . ?
N4 Si2 Cl2 98.3(3) . . ?
N4 Si2 N3 71.3(3) . . ?
N4 Si2 C38 35.4(3) . . ?
N4 Si2 H2 156(10) . . ?
C38 Si2 H2 132(10) . . ?
C14 N1 Si1 120.8(5) . . ?
C15 N1 Si1 114.3(5) . . ?
C15 N1 C14 118.2(7) . . ?
C20 N2 Si1 111.9(6) . . ?
C20 N2 C21 118.9(8) . . ?
C21 N2 Si1 129.0(6) . . ?
C34 N3 Si2 137.5(5) . . ?
C38 N3 Si2 90.4(6) . . ?
C38 N3 C34 131.7(7) . . ?
C38 N4 Si2 91.7(5) . . ?
C38 N4 C45 126.3(7) . . ?
C45 N4 Si2 139.5(6) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 P1 122.5(8) . . ?
C3 C2 C7 118.8(9) . . ?
C7 C2 P1 118.6(7) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.5(10) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 118.9(9) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(10) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.1(9) . . ?
C7 C6 H6 120.4 . . ?
C2 C7 C6 121.0(9) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C9 C8 P1 120.6(8) . . ?
C9 C8 C13 118.3(9) . . ?
C13 C8 P1 120.3(7) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.5(10) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.7(10) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(10) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C13 122.1(10) . . ?
C13 C12 H12 119.0 . . ?
C8 C13 C12 118.6(9) . . ?
C8 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
P1 C14 H14A 110.0 . . ?
P1 C14 H14B 110.0 . . ?
N1 C14 P1 108.5(6) . . ?
N1 C14 H14A 110.0 . . ?
N1 C14 H14B 110.0 . . ?
H14A C14 H14B 108.4 . . ?
N1 C15 C20 110.6(7) . . ?
C16 C15 N1 128.2(8) . . ?
C16 C15 C20 121.1(9) . . ?
C15 C16 H16 121.1 . . ?
C15 C16 C17 117.9(9) . . ?
C17 C16 H16 121.1 . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.2(9) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.0(10) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(9) . . ?
C20 C19 H19 120.2 . . ?
C15 C20 N2 113.6(8) . . ?
C19 C20 N2 127.2(9) . . ?
C19 C20 C15 119.2(8) . . ?
P2 C21 H21A 109.1 . . ?
P2 C21 H21B 109.1 . . ?
N2 C21 P2 112.5(6) . . ?
N2 C21 H21A 109.1 . . ?
N2 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C23 C22 P2 113.8(10) . . ?
C27 C22 P2 125.1(8) . . ?
C27 C22 C23 121.1(11) . . ?
C22 C23 H23 121.1 . . ?
C22 C23 C24 117.8(14) . . ?
C24 C23 H23 121.1 . . ?
C23 C24 H24 120.8 . . ?
C25 C24 C23 118.4(14) . . ?
C25 C24 H24 120.8 . . ?
C24 C25 H25 118.4 . . ?
C24 C25 C26 123.2(18) . . ?
C26 C25 H25 118.4 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.7(18) . . ?
C27 C26 H26 120.2 . . ?
C22 C27 C26 119.6(15) . . ?
C22 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 P2 125.5(8) . . ?
C29 C28 C33 118.6(10) . . ?
C33 C28 P2 115.8(7) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119.1(10) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 H30 119.1 . . ?
C31 C30 C29 121.8(11) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 H31 120.3 . . ?
C30 C31 C32 119.5(12) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.1(11) . . ?
C33 C32 H32 120.0 . . ?
C28 C33 H33 119.5 . . ?
C32 C33 C28 120.9(10) . . ?
C32 C33 H33 119.5 . . ?
N3 C34 C35 110.8(8) . . ?
N3 C34 C36 108.2(7) . . ?
N3 C34 C37 111.1(8) . . ?
C36 C34 C35 109.2(8) . . ?
C36 C34 C37 108.1(8) . . ?
C37 C34 C35 109.3(8) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N3 C38 Si2 53.7(4) . . ?
N3 C38 C39 124.5(8) . . ?
N4 C38 Si2 52.9(4) . . ?
N4 C38 N3 106.6(7) . . ?
N4 C38 C39 128.6(8) . . ?
C39 C38 Si2 174.1(6) . . ?
C40 C39 C38 120.5(8) . . ?
C44 C39 C38 119.5(8) . . ?
C44 C39 C40 120.0(8) . . ?
C39 C40 H40 120.8 . . ?
C39 C40 C41 118.4(8) . . ?
C41 C40 H40 120.8 . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.3(10) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.2 . . ?
C41 C42 C43 119.7(9) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 120.2 . . ?
C44 C43 C42 119.7(9) . . ?
C44 C43 H43 120.2 . . ?
C39 C44 H44 119.5 . . ?
C43 C44 C39 121.1(9) . . ?
C43 C44 H44 119.5 . . ?
N4 C45 C46 109.9(9) . . ?
N4 C45 C47 106.3(7) . . ?
N4 C45 C48 113.6(10) . . ?
C47 C45 C46 106.1(9) . . ?
C48 C45 C46 110.2(9) . . ?
C48 C45 C47 110.4(10) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
P3 C49 H49A 109.5 . . ?
P3 C49 H49B 109.5 . . ?
P3 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
P3 C50 H50A 109.5 . . ?
P3 C50 H50B 109.5 . . ?
P3 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
P3 C51 H51A 109.5 . . ?
P3 C51 H51B 109.5 . . ?
P3 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Cl3 Co2 H 85(10) . . ?
P4 Co2 Cl3 91.72(10) . . ?
P4 Co2 Si3 81.57(10) . . ?
P4 Co2 H 63(10) . . ?
P6 Co2 Cl3 97.82(10) . . ?
P6 Co2 P4 104.77(11) . . ?
P6 Co2 Si3 94.02(11) . . ?
P6 Co2 H 167(10) . . ?
Si3 Co2 Cl3 167.57(11) . . ?
Si3 Co2 H 82(10) . . ?
Si4 Co2 Cl3 79.85(10) . . ?
Si4 Co2 P4 144.03(11) . . ?
Si4 Co2 P6 110.98(11) . . ?
Si4 Co2 Si3 99.45(11) . . ?
Si4 Co2 H 82(10) . . ?
C53 P4 Co2 124.1(3) . . ?
C53 P4 C65 99.8(4) . . ?
C59 P4 Co2 114.2(3) . . ?
C59 P4 C53 101.4(4) . . ?
C59 P4 C65 104.1(4) . . ?
C65 P4 Co2 110.6(3) . . ?
C72 P5 C73' 93.5(8) . . ?
C79 P5 C72 104.8(4) . . ?
C79 P5 C73' 94.4(7) . . ?
C73 P5 C72 103.4(5) . . ?
C73 P5 C79 104.9(5) . . ?
C73 P5 C73' 17.1(6) . . ?
C100 P6 Co2 116.7(4) . . ?
C100 P6 C101 99.3(6) . . ?
C101 P6 Co2 120.4(4) . . ?
C102 P6 Co2 115.9(4) . . ?
C102 P6 C100 102.6(5) . . ?
C102 P6 C101 98.6(5) . . ?
N5 Si3 Co2 105.2(3) . . ?
N5 Si3 N6 89.0(3) . . ?
N5 Si3 C52 111.5(4) . . ?
N6 Si3 Co2 129.4(2) . . ?
N6 Si3 C52 102.6(4) . . ?
C52 Si3 Co2 115.7(3) . . ?
Co2 Si4 C89 134.7(2) . . ?
Cl4 Si4 Co2 122.00(14) . . ?
Cl4 Si4 C89 103.3(2) . . ?
N7 Si4 Co2 124.4(3) . . ?
N7 Si4 Cl4 99.7(3) . . ?
N7 Si4 N8 71.0(3) . . ?
N7 Si4 C89 35.7(3) . . ?
N8 Si4 Co2 128.2(3) . . ?
N8 Si4 Cl4 98.8(3) . . ?
N8 Si4 C89 35.3(3) . . ?
C65 N5 Si3 122.0(6) . . ?
C66 N5 Si3 114.3(6) . . ?
C66 N5 C65 115.7(7) . . ?
C71 N6 Si3 112.5(6) . . ?
C71 N6 C72 119.7(8) . . ?
C72 N6 Si3 127.7(6) . . ?
C85 N7 Si4 138.3(5) . . ?
C89 N7 Si4 90.8(5) . . ?
C89 N7 C85 130.3(7) . . ?
C89 N8 Si4 90.9(5) . . ?
C89 N8 C96 129.4(8) . . ?
C96 N8 Si4 139.7(6) . . ?
Si3 C52 H52A 109.5 . . ?
Si3 C52 H52B 109.5 . . ?
Si3 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 P4 121.3(7) . . ?
C58 C53 P4 121.0(7) . . ?
C58 C53 C54 117.3(9) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 C53 120.1(9) . . ?
C55 C54 H54 119.9 . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.6(10) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 119.7 . . ?
C57 C56 C55 120.6(10) . . ?
C57 C56 H56 119.7 . . ?
C56 C57 H57 120.4 . . ?
C56 C57 C58 119.2(9) . . ?
C58 C57 H57 120.4 . . ?
C53 C58 H58 118.9 . . ?
C57 C58 C53 122.2(9) . . ?
C57 C58 H58 118.9 . . ?
C60 C59 P4 119.4(6) . . ?
C64 C59 P4 123.9(7) . . ?
C64 C59 C60 116.2(8) . . ?
C59 C60 H60 119.3 . . ?
C61 C60 C59 121.3(9) . . ?
C61 C60 H60 119.3 . . ?
C60 C61 H61 119.5 . . ?
C62 C61 C60 120.9(9) . . ?
C62 C61 H61 119.5 . . ?
C61 C62 H62 119.9 . . ?
C61 C62 C63 120.3(9) . . ?
C63 C62 H62 119.9 . . ?
C62 C63 H63 120.2 . . ?
C64 C63 C62 119.6(9) . . ?
C64 C63 H63 120.2 . . ?
C59 C64 H64 119.2 . . ?
C63 C64 C59 121.7(9) . . ?
C63 C64 H64 119.2 . . ?
P4 C65 H65A 110.4 . . ?
P4 C65 H65B 110.4 . . ?
N5 C65 P4 106.4(6) . . ?
N5 C65 H65A 110.4 . . ?
N5 C65 H65B 110.4 . . ?
H65A C65 H65B 108.6 . . ?
N5 C66 C71 108.8(8) . . ?
C67 C66 N5 129.8(8) . . ?
C67 C66 C71 121.4(9) . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 120.1(9) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.7 . . ?
C69 C68 C67 118.5(9) . . ?
C69 C68 H68 120.7 . . ?
C68 C69 H69 118.6 . . ?
C68 C69 C70 122.8(10) . . ?
C70 C69 H69 118.6 . . ?
C69 C70 H70 120.5 . . ?
C69 C70 C71 119.0(9) . . ?
C71 C70 H70 120.5 . . ?
N6 C71 C66 114.6(8) . . ?
N6 C71 C70 127.3(8) . . ?
C70 C71 C66 118.0(9) . . ?
P5 C72 H72A 109.4 . . ?
P5 C72 H72B 109.4 . . ?
N6 C72 P5 111.0(6) . . ?
N6 C72 H72A 109.4 . . ?
N6 C72 H72B 109.4 . . ?
H72A C72 H72B 108.0 . . ?
C80 C79 P5 128.9(8) . . ?
C80 C79 C84 116.5(9) . . ?
C84 C79 P5 114.5(7) . . ?
C79 C80 H80 118.7 . . ?
C81 C80 C79 122.7(9) . . ?
C81 C80 H80 118.7 . . ?
C80 C81 H81 120.4 . . ?
C80 C81 C82 119.1(9) . . ?
C82 C81 H81 120.4 . . ?
C81 C82 H82 120.1 . . ?
C83 C82 C81 119.9(10) . . ?
C83 C82 H82 120.1 . . ?
C82 C83 H83 119.8 . . ?
C82 C83 C84 120.4(9) . . ?
C84 C83 H83 119.8 . . ?
C79 C84 H84 119.4 . . ?
C83 C84 C79 121.3(9) . . ?
C83 C84 H84 119.4 . . ?
N7 C85 C86 109.4(6) . . ?
N7 C85 C87 107.8(7) . . ?
N7 C85 C88 111.2(7) . . ?
C87 C85 C86 107.2(7) . . ?
C87 C85 C88 111.1(7) . . ?
C88 C85 C86 110.1(7) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C85 C88 H88A 109.5 . . ?
C85 C88 H88B 109.5 . . ?
C85 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N7 C89 Si4 53.4(4) . . ?
N7 C89 C90 127.9(8) . . ?
N8 C89 Si4 53.8(4) . . ?
N8 C89 N7 107.1(8) . . ?
N8 C89 C90 124.8(8) . . ?
C90 C89 Si4 172.5(6) . . ?
C91 C90 C89 123.0(8) . . ?
C91 C90 C95 120.3(9) . . ?
C95 C90 C89 116.7(8) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0(9) . . ?
C92 C91 H91 120.0 . . ?
C91 C92 H92 120.6 . . ?
C91 C92 C93 118.9(9) . . ?
C93 C92 H92 120.6 . . ?
C92 C93 H93 119.0 . . ?
C94 C93 C92 122.0(9) . . ?
C94 C93 H93 119.0 . . ?
C93 C94 H94 120.3 . . ?
C93 C94 C95 119.5(9) . . ?
C95 C94 H94 120.3 . . ?
C90 C95 H95 120.4 . . ?
C94 C95 C90 119.2(9) . . ?
C94 C95 H95 120.4 . . ?
N8 C96 C98 105.6(8) . . ?
N8 C96 C99 109.2(8) . . ?
C97 C96 N8 113.3(8) . . ?
C97 C96 C98 108.5(9) . . ?
C97 C96 C99 110.6(10) . . ?
C98 C96 C99 109.4(8) . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
P6 C100 H10A 109.5 . . ?
P6 C100 H10B 109.5 . . ?
P6 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
P6 C101 H10D 109.5 . . ?
P6 C101 H10E 109.5 . . ?
P6 C101 H10F 109.5 . . ?
H10D C101 H10E 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
P6 C102 H10G 109.5 . . ?
P6 C102 H10H 109.5 . . ?
P6 C102 H10I 109.5 . . ?
H10G C102 H10H 109.5 . . ?
H10G C102 H10I 109.5 . . ?
H10H C102 H10I 109.5 . . ?
C74 C73 P5 119.1(7) . . ?
C74 C73 C78 120.0 . . ?
C78 C73 P5 120.8(7) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0 . . ?
C77 C76 H76 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C73 C78 H78 120.0 . . ?
C77 C78 C73 120.0 . . ?
C77 C78 H78 120.0 . . ?
C74' C73' P5 113.9(12) . . ?
C74' C73' C78' 120.0 . . ?
C78' C73' P5 125.9(12) . . ?
C73' C74' H74' 120.0 . . ?
C75' C74' C73' 120.0 . . ?
C75' C74' H74' 120.0 . . ?
C74' C75' H75' 120.0 . . ?
C74' C75' C76' 120.0 . . ?
C76' C75' H75' 120.0 . . ?
C75' C76' H76' 120.0 . . ?
C77' C76' C75' 120.0 . . ?
C77' C76' H76' 120.0 . . ?
C76' C77' H77' 120.0 . . ?
C76' C77' C78' 120.0 . . ?
C78' C77' H77' 120.0 . . ?
C73' C78' H78' 120.0 . . ?
C77' C78' C73' 120.0 . . ?
C77' C78' H78' 120.0 . . ?
C5B O1B C03B 114.4(18) . . ?
O1B C03B H03A 108.6 . . ?
O1B C03B H03B 108.6 . . ?
O1B C03B C04B 114.5(18) . . ?
H03A C03B H03B 107.6 . . ?
C04B C03B H03A 108.6 . . ?
C04B C03B H03B 108.6 . . ?
O1B C5B H5BA 108.2 . . ?
O1B C5B H5BB 108.2 . . ?
O1B C5B C6B 116(2) . . ?
H5BA C5B H5BB 107.3 . . ?
C6B C5B H5BA 108.2 . . ?
C6B C5B H5BB 108.2 . . ?
C103 O1 C105 111.9(19) . . ?
O1 C103 H10J 108.7 . . ?
O1 C103 H10K 108.7 . . ?
O1 C103 C104 114(2) . . ?
H10J C103 H10K 107.6 . . ?
C104 C103 H10J 108.7 . . ?
C104 C103 H10K 108.7 . . ?
O1 C105 H10O 109.9 . . ?
O1 C105 H10P 109.9 . . ?
H10O C105 H10P 108.3 . . ?
C106 C105 O1 109.1(19) . . ?
C106 C105 H10O 109.9 . . ?
C106 C105 H10P 109.9 . . ?

_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H) groups
2. Restrained distances
 C104-C103 = O1-C103 = O1-C105 = C106-C105
 1.54 with sigma of 0.02
 C104-O1
 2.5 with sigma of 0.02
 C103-C105
 2.5 with sigma of 0.02
 O1-C106
 2.5 with sigma of 0.02
 C04B-C03B = O1B-C03B = O1B-C5B = C6B-C5B
 1.54 with sigma of 0.02
 C6B-O1B
 2.5 with sigma of 0.02
 C5B-C03B
 2.5 with sigma of 0.02
 O1B-C04B
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C73) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C76)
\\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C78) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.002
Uanis(C73') \\sim Ueq, Uanis(C74') \\sim Ueq, Uanis(C75') \\sim Ueq,
Uanis(C76') \\sim Ueq, Uanis(C77') \\sim Ueq, Uanis(C78') \\sim Ueq: with sigma
of 0.001 and sigma for terminal atoms of 0.002
Uiso(C103) = Uiso(C104) = Uiso(O1) = Uiso(C105) = Uiso(C106)
4. Others
 Sof(C73')=Sof(C74')=Sof(H74')=Sof(C75')=Sof(H75')=Sof(C76')=Sof(H76')=
 Sof(C77')=Sof(H77')=Sof(C78')=Sof(H78')=1-FVAR(1)
 Sof(C73)=Sof(C74)=Sof(H74)=Sof(C75)=Sof(H75)=Sof(C76)=Sof(H76)=Sof(C77)=
 Sof(H77)=Sof(C78)=Sof(H78)=FVAR(1)
 Fixed Sof: O1B(0.5) C03B(0.5) H03A(0.5) H03B(0.5) C04B(0.5) H04A(0.5)
 H04B(0.5) H04C(0.5) C5B(0.5) H5BA(0.5) H5BB(0.5) C6B(0.5) H6BA(0.5) H6BB(0.5)
 H6BC(0.5) O1(0.5) C103(0.5) H10J(0.5) H10K(0.5) C104(0.5) H10L(0.5) H10M(0.5)
 H10N(0.5) C105(0.5) H10O(0.5) H10P(0.5) C106(0.5) H10Q(0.5) H10R(0.5) H10S(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C21(H21A,H21B), C65(H65A,H65B), C72(H72A,H72B), C03B(H03A,
 H03B), C5B(H5BA,H5BB), C103(H10J,H10K), C105(H10O,H10P)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C54(H54), C55(H55), C56(H56),
  C57(H57), C58(H58), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64),
 C67(H67), C68(H68), C69(H69), C70(H70), C80(H80), C81(H81), C82(H82), C83(H83),
  C84(H84), C91(H91), C92(H92), C93(H93), C94(H94), C95(H95), C74(H74),
 C75(H75), C76(H76), C77(H77), C78(H78), C74'(H74'), C75'(H75'), C76'(H76'),
 C77'(H77'), C78'(H78')
5.c Fitted hexagon refined as free rotating group:
 C73(C74,C75,C76,C77,C78), C73'(C74',C75',C76',C77',C78')
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,
 H49B,H49C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C),
 C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C), C97(H97A,H97B,
 H97C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C100(H10A,H10B,H10C),
 C101(H10D,H10E,H10F), C102(H10G,H10H,H10I), C04B(H04A,H04B,H04C), C6B(H6BA,
 H6BB,H6BC), C104(H10L,H10M,H10N), C106(H10Q,H10R,H10S)
;
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_sun18
_database_code_depnum_ccdc_archive 'CCDC 1560796'
_audit_update_record             
;
2017-07-07 deposited with the CCDC.
2018-01-17 downloaded from the CCDC.
;
_audit_creation_date             2016-02-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C51 H63 Cl2 Co N4 P3 Si2, C4 H10 O'
_chemical_formula_sum            'C55 H73 Cl2 Co N4 O P3 Si2'
_chemical_formula_weight         1085.09
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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'

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

_cell_length_a                   13.9845(14)
_cell_length_b                   17.415(2)
_cell_length_c                   24.858(3)
_cell_angle_alpha                98.767(9)
_cell_angle_beta                 101.053(8)
_cell_angle_gamma                103.860(8)
_cell_volume                     5642.2(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23126
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.97
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.568
_exptl_absorpt_correction_T_max  0.9302
_exptl_absorpt_correction_T_min  0.7772
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2292
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 30 -13 0.1243
-15 14 0 0.1833
-17 -30 14 0.1474
23 -30 2 0.1484
1 7 30 0.2703
-7 -8 -30 0.2481

_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56456
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.358
_diffrn_reflns_theta_min         1.544
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Bruker rotating anode'
_diffrn_source_current           120
_diffrn_source_power             6.000
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15183
_reflns_number_total             30063
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.263
_refine_diff_density_min         -1.369
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.0051(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1196
_refine_ls_number_reflns         30063
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1409
_refine_ls_R_factor_gt           0.0838
_refine_ls_restrained_S_all      0.952
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1640P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2208
_refine_ls_wR_factor_ref         0.2695
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C103-C104
 1.54 with sigma of 0.02
 C109-C110
 1.54 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C20(H20A,H20B), C64(H64A,H64B), C71(H71A,H71B), C109(H10W,
 H10X), C103(H10M,H10N), C107(H10Y,H), C105(H10R,H10S)
3.b Me refined with riding coordinates:
 C104(H10J,H10K,H10L), C108(H10T,H10U,H10V), C106(H10O,H10P,H10Q), C110(H11A,
 H11B,H11C)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C53(H53), C54(H54), C55(H55),
  C56(H56), C57(H57), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63),
 C66(H66), C67(H67), C68(H68), C69(H69), C73(H73), C74(H74), C75(H75), C76(H76),
  C77(H77), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83), C91(H91),
 C92(H92), C93(H93), C94(H94), C95(H95)
3.d Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,
 H49B,H49C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C84(H84A,H84B,H84C),
 C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C), C97(H97A,H97B,
 H97C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C100(H10A,H10B,H10C),
 C101(H10D,H10E,H10F), C102(H10G,H10H,H10I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.79136(5) 0.75285(3) 0.03805(3) 0.04939(16) Uani 1 1 d . . . . .
Cl1 Cl 0.78641(9) 0.86263(6) -0.00959(4) 0.0512(2) Uani 1 1 d . . . . .
Cl2 Cl 0.74897(15) 0.81178(9) 0.17965(7) 0.0880(5) Uani 1 1 d . . . . .
P1 P 0.91729(9) 0.73038(7) 0.00204(5) 0.0528(3) Uani 1 1 d . . . . .
P2 P 0.75379(12) 0.53468(8) 0.20819(6) 0.0649(3) Uani 1 1 d . . . . .
P3 P 0.65707(10) 0.66125(8) -0.01672(7) 0.0705(4) Uani 1 1 d . . . . .
Si1 Si 0.83620(9) 0.66826(7) 0.09232(5) 0.0485(3) Uani 1 1 d . . . . .
Si2 Si 0.76910(11) 0.84067(7) 0.10261(6) 0.0579(3) Uani 1 1 d . . . . .
N1 N 0.8823(3) 0.6009(2) 0.04939(16) 0.0526(8) Uani 1 1 d . . . . .
N2 N 0.7557(3) 0.5828(2) 0.10775(16) 0.0496(8) Uani 1 1 d . . . . .
N3 N 0.8399(3) 0.9483(2) 0.12826(17) 0.0559(9) Uani 1 1 d . . . . .
N4 N 0.6796(3) 0.9044(2) 0.09418(19) 0.0601(10) Uani 1 1 d . . . . .
C1 C 0.9203(4) 0.7287(3) -0.0717(2) 0.0599(11) Uani 1 1 d . . . . .
C2 C 1.0031(4) 0.7150(4) -0.0904(2) 0.0727(14) Uani 1 1 d . . . . .
H2 H 1.0609 0.7123 -0.0643 0.087 Uiso 1 1 calc R . . . .
C3 C 1.0021(5) 0.7052(4) -0.1470(3) 0.0825(17) Uani 1 1 d . . . . .
H3 H 1.0599 0.6968 -0.1592 0.099 Uiso 1 1 calc R . . . .
C4 C 0.9190(5) 0.7074(4) -0.1854(3) 0.0767(15) Uani 1 1 d . . . . .
H4 H 0.9180 0.6992 -0.2242 0.092 Uiso 1 1 calc R . . . .
C5 C 0.8367(5) 0.7218(4) -0.1670(2) 0.0757(15) Uani 1 1 d . . . . .
H5 H 0.7791 0.7250 -0.1930 0.091 Uiso 1 1 calc R . . . .
C6 C 0.8381(4) 0.7316(3) -0.1101(2) 0.0662(12) Uani 1 1 d . . . . .
H6 H 0.7806 0.7405 -0.0978 0.079 Uiso 1 1 calc R . . . .
C7 C 1.0433(4) 0.7964(3) 0.0373(2) 0.0574(11) Uani 1 1 d . . . . .
C8 C 1.1102(4) 0.7748(3) 0.0776(2) 0.0664(13) Uani 1 1 d . . . . .
H8 H 1.0929 0.7220 0.0852 0.080 Uiso 1 1 calc R . . . .
C9 C 1.2006(4) 0.8290(4) 0.1065(3) 0.0752(15) Uani 1 1 d . . . . .
H9 H 1.2453 0.8136 0.1340 0.090 Uiso 1 1 calc R . . . .
C10 C 1.2273(4) 0.9062(4) 0.0958(3) 0.0744(14) Uani 1 1 d . . . . .
H10 H 1.2902 0.9433 0.1158 0.089 Uiso 1 1 calc R . . . .
C11 C 1.1626(4) 0.9289(3) 0.0562(2) 0.0669(13) Uani 1 1 d . . . . .
H11 H 1.1809 0.9817 0.0487 0.080 Uiso 1 1 calc R . . . .
C12 C 1.0711(4) 0.8748(3) 0.0273(2) 0.0582(11) Uani 1 1 d . . . . .
H12 H 1.0264 0.8909 0.0002 0.070 Uiso 1 1 calc R . . . .
C13 C 0.9270(4) 0.6265(3) 0.0053(2) 0.0571(10) Uani 1 1 d . . . . .
H13A H 0.8909 0.5891 -0.0310 0.069 Uiso 1 1 calc R . . . .
H13B H 0.9991 0.6262 0.0129 0.069 Uiso 1 1 calc R . . . .
C14 C 0.8297(3) 0.5194(3) 0.0433(2) 0.0527(10) Uani 1 1 d . . . . .
C15 C 0.8388(4) 0.4536(3) 0.0084(2) 0.0614(11) Uani 1 1 d . . . . .
H15 H 0.8868 0.4604 -0.0140 0.074 Uiso 1 1 calc R . . . .
C16 C 0.7762(4) 0.3760(3) 0.0063(2) 0.0662(13) Uani 1 1 d . . . . .
H16 H 0.7815 0.3303 -0.0180 0.079 Uiso 1 1 calc R . . . .
C17 C 0.7078(4) 0.3664(3) 0.0392(2) 0.0668(13) Uani 1 1 d . . . . .
H17 H 0.6664 0.3139 0.0377 0.080 Uiso 1 1 calc R . . . .
C18 C 0.6983(4) 0.4332(3) 0.0750(2) 0.0568(11) Uani 1 1 d . . . . .
H18 H 0.6509 0.4258 0.0978 0.068 Uiso 1 1 calc R . . . .
C19 C 0.7581(3) 0.5099(3) 0.07695(19) 0.0519(10) Uani 1 1 d . . . . .
C20 C 0.6979(4) 0.5814(3) 0.1501(2) 0.0559(10) Uani 1 1 d . . . . .
H20A H 0.6267 0.5497 0.1329 0.067 Uiso 1 1 calc R . . . .
H20B H 0.6982 0.6372 0.1658 0.067 Uiso 1 1 calc R . . . .
C21 C 0.6385(6) 0.4760(4) 0.2225(3) 0.0861(19) Uani 1 1 d . . . . .
C22 C 0.6213(8) 0.3923(4) 0.2136(3) 0.120(3) Uani 1 1 d . . . . .
H22 H 0.6701 0.3691 0.2010 0.144 Uiso 1 1 calc R . . . .
C23 C 0.5368(11) 0.3426(7) 0.2223(5) 0.156(6) Uani 1 1 d . . . . .
H23 H 0.5301 0.2863 0.2180 0.187 Uiso 1 1 calc R . . . .
C24 C 0.4656(10) 0.3710(9) 0.2362(5) 0.166(7) Uani 1 1 d . . . . .
H24 H 0.4047 0.3347 0.2387 0.199 Uiso 1 1 calc R . . . .
C25 C 0.4767(9) 0.4535(9) 0.2475(5) 0.166(5) Uani 1 1 d . . . . .
H25 H 0.4264 0.4742 0.2605 0.199 Uiso 1 1 calc R . . . .
C26 C 0.5643(7) 0.5065(6) 0.2392(4) 0.124(3) Uani 1 1 d . . . . .
H26 H 0.5718 0.5630 0.2451 0.149 Uiso 1 1 calc R . . . .
C27 C 0.8027(4) 0.6194(3) 0.2687(2) 0.0617(12) Uani 1 1 d . . . . .
C28 C 0.8878(4) 0.6173(4) 0.3069(2) 0.0748(15) Uani 1 1 d . . . . .
H28 H 0.9156 0.5730 0.3003 0.090 Uiso 1 1 calc R . . . .
C29 C 0.9336(5) 0.6775(5) 0.3541(3) 0.0897(19) Uani 1 1 d . . . . .
H29 H 0.9920 0.6745 0.3796 0.108 Uiso 1 1 calc R . . . .
C30 C 0.8940(7) 0.7420(5) 0.3641(3) 0.099(2) Uani 1 1 d . . . . .
H30 H 0.9247 0.7835 0.3967 0.118 Uiso 1 1 calc R . . . .
C31 C 0.8092(6) 0.7465(4) 0.3264(3) 0.0882(18) Uani 1 1 d . . . . .
H31 H 0.7822 0.7912 0.3330 0.106 Uiso 1 1 calc R . . . .
C32 C 0.7645(5) 0.6858(4) 0.2795(2) 0.0731(14) Uani 1 1 d . . . . .
H32 H 0.7064 0.6891 0.2539 0.088 Uiso 1 1 calc R . . . .
C33 C 0.9325(4) 0.7145(3) 0.1607(2) 0.0564(10) Uani 1 1 d . . . . .
H33A H 0.9867 0.7579 0.1551 0.085 Uiso 1 1 calc GR . . . .
H33B H 0.9613 0.6730 0.1742 0.085 Uiso 1 1 calc GR . . . .
H33C H 0.8997 0.7369 0.1883 0.085 Uiso 1 1 calc GR . . . .
C34 C 0.9467(4) 0.9975(3) 0.1499(2) 0.0572(11) Uani 1 1 d . . . . .
C35 C 0.9590(5) 1.0573(4) 0.2042(3) 0.0818(17) Uani 1 1 d . . . . .
H35A H 0.9235 1.0979 0.1962 0.123 Uiso 1 1 calc GR . . . .
H35B H 1.0312 1.0840 0.2205 0.123 Uiso 1 1 calc GR . . . .
H35C H 0.9302 1.0283 0.2307 0.123 Uiso 1 1 calc GR . . . .
C36 C 1.0098(4) 0.9382(3) 0.1623(2) 0.0652(12) Uani 1 1 d . . . . .
H36A H 0.9857 0.9089 0.1900 0.098 Uiso 1 1 calc GR . . . .
H36B H 1.0813 0.9683 0.1772 0.098 Uiso 1 1 calc GR . . . .
H36C H 1.0024 0.8996 0.1277 0.098 Uiso 1 1 calc GR . . . .
C37 C 0.9826(4) 1.0410(3) 0.1054(3) 0.0699(13) Uani 1 1 d . . . . .
H37A H 0.9663 1.0021 0.0698 0.105 Uiso 1 1 calc GR . . . .
H37B H 1.0561 1.0654 0.1173 0.105 Uiso 1 1 calc GR . . . .
H37C H 0.9485 1.0834 0.1005 0.105 Uiso 1 1 calc GR . . . .
C38 C 0.7563(4) 0.9714(3) 0.1138(2) 0.0544(10) Uani 1 1 d . . . . .
C39 C 0.7478(4) 1.0558(3) 0.1186(2) 0.0547(10) Uani 1 1 d . . . . .
C40 C 0.7360(4) 1.0986(3) 0.1674(2) 0.0607(11) Uani 1 1 d . . . . .
H40 H 0.7358 1.0750 0.1994 0.073 Uiso 1 1 calc R . . . .
C41 C 0.7246(4) 1.1758(3) 0.1697(3) 0.0667(13) Uani 1 1 d . . . . .
H41 H 0.7161 1.2049 0.2032 0.080 Uiso 1 1 calc R . . . .
C42 C 0.7254(4) 1.2101(3) 0.1241(3) 0.0729(15) Uani 1 1 d . . . . .
H42 H 0.7176 1.2631 0.1261 0.087 Uiso 1 1 calc R . . . .
C43 C 0.7376(4) 1.1686(3) 0.0749(3) 0.0702(14) Uani 1 1 d . . . . .
H43 H 0.7376 1.1928 0.0431 0.084 Uiso 1 1 calc R . . . .
C44 C 0.7499(4) 1.0906(3) 0.0721(2) 0.0604(11) Uani 1 1 d . . . . .
H44 H 0.7596 1.0620 0.0387 0.073 Uiso 1 1 calc R . . . .
C45 C 0.5692(5) 0.8942(4) 0.0708(4) 0.089(2) Uani 1 1 d . . . . .
C46 C 0.5277(6) 0.9505(5) 0.0981(6) 0.153(5) Uani 1 1 d . . . . .
H46A H 0.5341 0.9459 0.1374 0.229 Uiso 1 1 calc GR . . . .
H46B H 0.4559 0.9394 0.0796 0.229 Uiso 1 1 calc GR . . . .
H46C H 0.5641 1.0053 0.0964 0.229 Uiso 1 1 calc GR . . . .
C47 C 0.5543(6) 0.9080(6) 0.0071(4) 0.114(3) Uani 1 1 d . . . . .
H47A H 0.5726 0.9661 0.0076 0.171 Uiso 1 1 calc GR . . . .
H47B H 0.4833 0.8834 -0.0131 0.171 Uiso 1 1 calc GR . . . .
H47C H 0.5980 0.8827 -0.0117 0.171 Uiso 1 1 calc GR . . . .
C48 C 0.5159(5) 0.8070(4) 0.0680(3) 0.0851(17) Uani 1 1 d . . . . .
H48A H 0.5310 0.7725 0.0375 0.128 Uiso 1 1 calc GR . . . .
H48B H 0.4426 0.7997 0.0609 0.128 Uiso 1 1 calc GR . . . .
H48C H 0.5396 0.7921 0.1036 0.128 Uiso 1 1 calc GR . . . .
C49 C 0.5652(4) 0.6090(4) 0.0181(4) 0.101(3) Uani 1 1 d . . . . .
H49A H 0.4979 0.5905 -0.0077 0.151 Uiso 1 1 calc GR . . . .
H49B H 0.5632 0.6462 0.0514 0.151 Uiso 1 1 calc GR . . . .
H49C H 0.5851 0.5624 0.0292 0.151 Uiso 1 1 calc GR . . . .
C50 C 0.5764(4) 0.6987(3) -0.0682(3) 0.0716(14) Uani 1 1 d . . . . .
H50A H 0.6166 0.7237 -0.0924 0.107 Uiso 1 1 calc GR . . . .
H50B H 0.5497 0.7389 -0.0485 0.107 Uiso 1 1 calc GR . . . .
H50C H 0.5200 0.6535 -0.0911 0.107 Uiso 1 1 calc GR . . . .
C51 C 0.6689(5) 0.5731(4) -0.0620(3) 0.098(2) Uani 1 1 d . . . . .
H51A H 0.7127 0.5469 -0.0402 0.147 Uiso 1 1 calc GR . . . .
H51B H 0.6988 0.5902 -0.0924 0.147 Uiso 1 1 calc GR . . . .
H51C H 0.6017 0.5349 -0.0780 0.147 Uiso 1 1 calc GR . . . .
Co2 Co 1.28497(5) 0.73833(4) 0.53444(3) 0.05169(16) Uani 1 1 d . . . . .
Cl3 Cl 1.10623(8) 0.68484(7) 0.49265(4) 0.0515(2) Uani 1 1 d . . . . .
Cl4 Cl 1.31903(11) 0.84915(9) 0.68225(6) 0.0743(3) Uani 1 1 d . . . . .
P4 P 1.31484(9) 0.63016(7) 0.48905(5) 0.0532(3) Uani 1 1 d . . . . .
P5 P 1.69573(10) 0.92788(8) 0.69038(6) 0.0610(3) Uani 1 1 d . . . . .
P6 P 1.31715(10) 0.83132(8) 0.48468(7) 0.0671(4) Uani 1 1 d . . . . .
Si3 Si 1.44958(9) 0.76273(7) 0.57881(5) 0.0505(3) Uani 1 1 d . . . . .
Si4 Si 1.22378(10) 0.77830(8) 0.60426(6) 0.0560(3) Uani 1 1 d . . . . .
N5 N 1.5078(3) 0.7200(2) 0.52850(16) 0.0530(8) Uani 1 1 d . . . . .
N6 N 1.5495(3) 0.8532(2) 0.59308(16) 0.0537(8) Uani 1 1 d . . . . .
N7 N 1.1263(3) 0.7140(2) 0.63115(16) 0.0542(8) Uani 1 1 d . . . . .
N8 N 1.1162(3) 0.8230(2) 0.60332(18) 0.0602(9) Uani 1 1 d . . . . .
C52 C 1.2522(4) 0.5796(3) 0.4157(2) 0.0613(11) Uani 1 1 d . . . . .
C53 C 1.2694(5) 0.5077(3) 0.3935(2) 0.0679(13) Uani 1 1 d . . . . .
H53 H 1.3075 0.4818 0.4170 0.082 Uiso 1 1 calc R . . . .
C54 C 1.2312(6) 0.4736(4) 0.3372(2) 0.0841(18) Uani 1 1 d . . . . .
H54 H 1.2423 0.4239 0.3221 0.101 Uiso 1 1 calc R . . . .
C55 C 1.1774(6) 0.5110(4) 0.3029(3) 0.0842(18) Uani 1 1 d . . . . .
H55 H 1.1539 0.4884 0.2639 0.101 Uiso 1 1 calc R . . . .
C56 C 1.1571(5) 0.5818(4) 0.3252(2) 0.0796(16) Uani 1 1 d . . . . .
H56 H 1.1170 0.6062 0.3016 0.096 Uiso 1 1 calc R . . . .
C57 C 1.1953(4) 0.6169(3) 0.3815(2) 0.0668(12) Uani 1 1 d . . . . .
H57 H 1.1828 0.6660 0.3966 0.080 Uiso 1 1 calc R . . . .
C58 C 1.3013(4) 0.5447(3) 0.5244(2) 0.0566(10) Uani 1 1 d . . . . .
C59 C 1.3836(4) 0.5294(3) 0.5577(2) 0.0662(13) Uani 1 1 d . . . . .
H59 H 1.4503 0.5604 0.5592 0.079 Uiso 1 1 calc R . . . .
C60 C 1.3703(5) 0.4702(3) 0.5885(2) 0.0726(14) Uani 1 1 d . . . . .
H60 H 1.4275 0.4606 0.6109 0.087 Uiso 1 1 calc R . . . .
C61 C 1.2726(5) 0.4242(3) 0.5868(2) 0.0721(14) Uani 1 1 d . . . . .
H61 H 1.2631 0.3836 0.6083 0.086 Uiso 1 1 calc R . . . .
C62 C 1.1900(5) 0.4383(3) 0.5537(2) 0.0668(13) Uani 1 1 d . . . . .
H62 H 1.1234 0.4068 0.5520 0.080 Uiso 1 1 calc R . . . .
C63 C 1.2041(4) 0.4985(3) 0.5228(2) 0.0607(11) Uani 1 1 d . . . . .
H63 H 1.1469 0.5083 0.5004 0.073 Uiso 1 1 calc R . . . .
C64 C 1.4483(4) 0.6535(3) 0.4827(2) 0.0587(11) Uani 1 1 d . . . . .
H64A H 1.4741 0.6055 0.4848 0.070 Uiso 1 1 calc R . . . .
H64B H 1.4529 0.6687 0.4464 0.070 Uiso 1 1 calc R . . . .
C65 C 1.5901(4) 0.7757(3) 0.5198(2) 0.0557(10) Uani 1 1 d . . . . .
C66 C 1.6447(4) 0.7656(3) 0.4797(2) 0.0610(11) Uani 1 1 d . . . . .
H66 H 1.6274 0.7154 0.4539 0.073 Uiso 1 1 calc R . . . .
C67 C 1.7245(4) 0.8288(4) 0.4771(3) 0.0716(14) Uani 1 1 d . . . . .
H67 H 1.7613 0.8217 0.4492 0.086 Uiso 1 1 calc R . . . .
C68 C 1.7511(4) 0.9018(4) 0.5145(3) 0.0693(14) Uani 1 1 d . . . . .
H68 H 1.8071 0.9441 0.5129 0.083 Uiso 1 1 calc R . . . .
C69 C 1.6960(4) 0.9138(3) 0.5549(2) 0.0620(12) Uani 1 1 d . . . . .
H69 H 1.7138 0.9643 0.5805 0.074 Uiso 1 1 calc R . . . .
C70 C 1.6150(3) 0.8512(3) 0.55728(19) 0.0514(9) Uani 1 1 d . . . . .
C71 C 1.5747(4) 0.9223(3) 0.6388(2) 0.0570(11) Uani 1 1 d . . . . .
H71A H 1.5187 0.9180 0.6582 0.068 Uiso 1 1 calc R . . . .
H71B H 1.5830 0.9724 0.6239 0.068 Uiso 1 1 calc R . . . .
C72 C 1.7577(5) 1.0363(4) 0.7057(3) 0.0814(17) Uani 1 1 d . . . . .
C73 C 1.8528(5) 1.0627(6) 0.6956(3) 0.114(3) Uani 1 1 d . . . . .
H73 H 1.8846 1.0239 0.6819 0.137 Uiso 1 1 calc R . . . .
C74 C 1.9027(9) 1.1442(9) 0.7049(5) 0.169(7) Uani 1 1 d . . . . .
H74 H 1.9688 1.1610 0.6987 0.202 Uiso 1 1 calc R . . . .
C75 C 1.8560(14) 1.2006(7) 0.7231(5) 0.171(8) Uani 1 1 d . . . . .
H75 H 1.8879 1.2566 0.7278 0.205 Uiso 1 1 calc R . . . .
C76 C 1.7670(13) 1.1764(6) 0.7341(4) 0.172(6) Uani 1 1 d . . . . .
H76 H 1.7360 1.2156 0.7481 0.206 Uiso 1 1 calc R . . . .
C77 C 1.7161(8) 1.0935(5) 0.7256(4) 0.116(3) Uani 1 1 d . . . . .
H77 H 1.6517 1.0778 0.7341 0.139 Uiso 1 1 calc R . . . .
C78 C 1.6555(3) 0.9136(3) 0.7550(2) 0.0536(10) Uani 1 1 d . . . . .
C79 C 1.7225(4) 0.8910(3) 0.7948(2) 0.0619(12) Uani 1 1 d . . . . .
H79 H 1.7848 0.8853 0.7873 0.074 Uiso 1 1 calc R . . . .
C80 C 1.7001(5) 0.8768(3) 0.8447(2) 0.0705(14) Uani 1 1 d . . . . .
H80 H 1.7477 0.8630 0.8715 0.085 Uiso 1 1 calc R . . . .
C81 C 1.6092(5) 0.8827(3) 0.8556(3) 0.0712(13) Uani 1 1 d . . . . .
H81 H 1.5929 0.8716 0.8895 0.085 Uiso 1 1 calc R . . . .
C82 C 1.5418(4) 0.9051(4) 0.8169(3) 0.0747(14) Uani 1 1 d . . . . .
H82 H 1.4792 0.9098 0.8245 0.090 Uiso 1 1 calc R . . . .
C83 C 1.5647(4) 0.9207(3) 0.7671(2) 0.0656(12) Uani 1 1 d . . . . .
H83 H 1.5178 0.9364 0.7410 0.079 Uiso 1 1 calc R . . . .
C84 C 1.4721(4) 0.7229(3) 0.6450(2) 0.0576(11) Uani 1 1 d . . . . .
H84A H 1.4563 0.7575 0.6751 0.086 Uiso 1 1 calc GR . . . .
H84B H 1.5432 0.7228 0.6557 0.086 Uiso 1 1 calc GR . . . .
H84C H 1.4283 0.6676 0.6387 0.086 Uiso 1 1 calc GR . . . .
C85 C 1.1085(4) 0.6360(3) 0.6507(2) 0.0580(11) Uani 1 1 d . . . . .
C86 C 1.0301(4) 0.5693(3) 0.6058(2) 0.0661(12) Uani 1 1 d . . . . .
H86A H 0.9637 0.5800 0.6017 0.099 Uiso 1 1 calc GR . . . .
H86B H 1.0261 0.5171 0.6167 0.099 Uiso 1 1 calc GR . . . .
H86C H 1.0501 0.5678 0.5700 0.099 Uiso 1 1 calc GR . . . .
C87 C 1.0733(5) 0.6451(4) 0.7050(2) 0.0694(13) Uani 1 1 d . . . . .
H87A H 1.1200 0.6924 0.7321 0.104 Uiso 1 1 calc GR . . . .
H87B H 1.0724 0.5965 0.7205 0.104 Uiso 1 1 calc GR . . . .
H87C H 1.0050 0.6523 0.6975 0.104 Uiso 1 1 calc GR . . . .
C88 C 1.2101(4) 0.6163(4) 0.6620(2) 0.0692(14) Uani 1 1 d . . . . .
H88A H 1.2314 0.6068 0.6269 0.104 Uiso 1 1 calc GR . . . .
H88B H 1.2030 0.5676 0.6779 0.104 Uiso 1 1 calc GR . . . .
H88C H 1.2610 0.6617 0.6886 0.104 Uiso 1 1 calc GR . . . .
C89 C 1.0646(4) 0.7601(3) 0.62067(19) 0.0550(10) Uani 1 1 d . . . . .
C90 C 0.9569(4) 0.7435(3) 0.6233(2) 0.0564(10) Uani 1 1 d . . . . .
C91 C 0.8841(4) 0.7022(3) 0.5747(2) 0.0612(11) Uani 1 1 d . . . . .
H91 H 0.9042 0.6831 0.5419 0.073 Uiso 1 1 calc R . . . .
C92 C 0.7823(4) 0.6889(3) 0.5741(3) 0.0679(13) Uani 1 1 d . . . . .
H92 H 0.7322 0.6601 0.5410 0.081 Uiso 1 1 calc R . . . .
C93 C 0.7534(4) 0.7174(4) 0.6217(3) 0.0737(15) Uani 1 1 d . . . . .
H93 H 0.6835 0.7095 0.6209 0.088 Uiso 1 1 calc R . . . .
C94 C 0.8258(5) 0.7574(4) 0.6702(3) 0.0716(14) Uani 1 1 d . . . . .
H94 H 0.8057 0.7765 0.7030 0.086 Uiso 1 1 calc R . . . .
C95 C 0.9265(4) 0.7696(3) 0.6711(2) 0.0646(12) Uani 1 1 d . . . . .
H95 H 0.9760 0.7962 0.7049 0.078 Uiso 1 1 calc R . . . .
C96 C 1.0861(5) 0.8954(4) 0.5900(3) 0.0788(16) Uani 1 1 d . . . . .
C97 C 1.1823(6) 0.9535(4) 0.5850(3) 0.0865(18) Uani 1 1 d . . . . .
H97A H 1.2343 0.9650 0.6200 0.130 Uiso 1 1 calc GR . . . .
H97B H 1.1682 1.0039 0.5778 0.130 Uiso 1 1 calc GR . . . .
H97C H 1.2066 0.9291 0.5540 0.130 Uiso 1 1 calc GR . . . .
C98 C 1.0078(6) 0.8723(5) 0.5346(4) 0.113(3) Uani 1 1 d . . . . .
H98A H 1.0315 0.8410 0.5063 0.169 Uiso 1 1 calc GR . . . .
H98B H 0.9979 0.9214 0.5225 0.169 Uiso 1 1 calc GR . . . .
H98C H 0.9435 0.8397 0.5392 0.169 Uiso 1 1 calc GR . . . .
C99 C 1.0467(11) 0.9356(5) 0.6368(5) 0.169(6) Uani 1 1 d . . . . .
H99A H 0.9785 0.9029 0.6359 0.254 Uiso 1 1 calc GR . . . .
H99B H 1.0439 0.9897 0.6314 0.254 Uiso 1 1 calc GR . . . .
H99C H 1.0922 0.9400 0.6731 0.254 Uiso 1 1 calc GR . . . .
C100 C 1.3889(5) 0.8179(4) 0.4312(3) 0.0868(18) Uani 1 1 d . . . . .
H10A H 1.3980 0.8649 0.4135 0.130 Uiso 1 1 calc GR . . . .
H10B H 1.3516 0.7689 0.4027 0.130 Uiso 1 1 calc GR . . . .
H10C H 1.4553 0.8126 0.4487 0.130 Uiso 1 1 calc GR . . . .
C101 C 1.3906(5) 0.9340(4) 0.5227(3) 0.089(2) Uani 1 1 d . . . . .
H10D H 1.4630 0.9398 0.5257 0.133 Uiso 1 1 calc GR . . . .
H10E H 1.3783 0.9433 0.5604 0.133 Uiso 1 1 calc GR . . . .
H10F H 1.3698 0.9735 0.5024 0.133 Uiso 1 1 calc GR . . . .
C102 C 1.2064(4) 0.8491(3) 0.4406(3) 0.0735(14) Uani 1 1 d . . . . .
H10G H 1.1672 0.8713 0.4645 0.110 Uiso 1 1 calc GR . . . .
H10H H 1.1638 0.7979 0.4162 0.110 Uiso 1 1 calc GR . . . .
H10I H 1.2292 0.8875 0.4176 0.110 Uiso 1 1 calc GR . . . .
C104 C 1.0670(9) 0.5252(8) 0.1433(5) 0.149(4) Uiso 1 1 d D . . . .
H10J H 1.0367 0.5422 0.1098 0.223 Uiso 1 1 calc R . . . .
H10K H 1.0220 0.5230 0.1691 0.223 Uiso 1 1 calc R . . . .
H10L H 1.0766 0.4716 0.1325 0.223 Uiso 1 1 calc R . . . .
O1 O 1.2357(15) 0.5928(10) 0.1489(7) 0.253(6) Uiso 1 1 d . . . . .
O2 O 0.5380(10) 0.7843(9) 0.2878(6) 0.235(5) Uiso 1 1 d . . . . .
C108 C 0.4621(14) 0.6604(12) 0.3162(8) 0.224(7) Uiso 1 1 d . . . . .
H10T H 0.3952 0.6469 0.2904 0.336 Uiso 1 1 calc R . . . .
H10U H 0.4547 0.6431 0.3513 0.336 Uiso 1 1 calc R . . . .
H10V H 0.5055 0.6326 0.2992 0.336 Uiso 1 1 calc R . . . .
C109 C 0.5748(16) 0.8773(13) 0.3082(9) 0.240(8) Uiso 1 1 d D . . . .
H10W H 0.5212 0.8970 0.3218 0.288 Uiso 1 1 calc R . . . .
H10X H 0.6358 0.8922 0.3395 0.288 Uiso 1 1 calc R . . . .
C103 C 1.1611(13) 0.5808(11) 0.1698(7) 0.207(6) Uiso 1 1 d D . . . .
H10M H 1.1474 0.6339 0.1789 0.249 Uiso 1 1 calc R . . . .
H10N H 1.1834 0.5658 0.2060 0.249 Uiso 1 1 calc R . . . .
C107 C 0.5069(14) 0.7454(12) 0.3276(8) 0.212(7) Uiso 1 1 d . . . . .
H10Y H 0.4577 0.7712 0.3412 0.254 Uiso 1 1 calc R . . . .
H H 0.5667 0.7577 0.3595 0.254 Uiso 1 1 calc R . . . .
C106 C 1.408(2) 0.6480(17) 0.1469(12) 0.323(13) Uiso 1 1 d . . . . .
H10O H 1.4624 0.6462 0.1775 0.484 Uiso 1 1 calc R . . . .
H10P H 1.4249 0.7004 0.1360 0.484 Uiso 1 1 calc R . . . .
H10Q H 1.3994 0.6046 0.1147 0.484 Uiso 1 1 calc R . . . .
C105 C 1.316(3) 0.637(2) 0.1649(13) 0.327(15) Uiso 1 1 d . . . . .
H10R H 1.3365 0.6322 0.2043 0.392 Uiso 1 1 calc R . . . .
H10S H 1.3034 0.6912 0.1671 0.392 Uiso 1 1 calc R . . . .
C110 C 0.598(2) 0.9131(17) 0.2633(11) 0.336(14) Uiso 1 1 d D . . . .
H11A H 0.6499 0.8925 0.2495 0.503 Uiso 1 1 calc R . . . .
H11B H 0.6230 0.9719 0.2763 0.503 Uiso 1 1 calc R . . . .
H11C H 0.5365 0.8998 0.2330 0.503 Uiso 1 1 calc R . . . .


_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 Cl1 2.4050(10) . ?
Co1 P1 2.2098(14) . ?
Co1 P3 2.2017(15) . ?
Co1 Si1 2.2600(12) . ?
Co1 Si2 2.1642(15) . ?
Cl2 Si2 2.105(2) . ?
P1 C1 1.837(5) . ?
P1 C7 1.823(5) . ?
P1 C13 1.860(4) . ?
P2 C20 1.895(4) . ?
P2 C21 1.820(7) . ?
P2 C27 1.830(6) . ?
P3 C49 1.826(7) . ?
P3 C50 1.841(5) . ?
P3 C51 1.821(7) . ?
Si1 N1 1.782(4) . ?
Si1 N2 1.779(4) . ?
Si1 C33 1.880(5) . ?
Si2 N3 1.846(4) . ?
Si2 N4 1.864(4) . ?
Si2 C38 2.306(4) . ?
N1 C13 1.438(6) . ?
N1 C14 1.404(6) . ?
N2 C19 1.391(6) . ?
N2 C20 1.444(6) . ?
N3 C34 1.481(6) . ?
N3 C38 1.330(6) . ?
N4 C38 1.332(6) . ?
N4 C45 1.499(8) . ?
C1 C2 1.385(7) . ?
C1 C6 1.362(7) . ?
C2 C3 1.388(8) . ?
C3 C4 1.369(9) . ?
C4 C5 1.379(8) . ?
C5 C6 1.395(7) . ?
C7 C8 1.394(7) . ?
C7 C12 1.402(6) . ?
C8 C9 1.371(8) . ?
C9 C10 1.387(8) . ?
C10 C11 1.376(8) . ?
C11 C12 1.380(7) . ?
C14 C15 1.374(7) . ?
C14 C19 1.418(7) . ?
C15 C16 1.410(7) . ?
C16 C17 1.370(8) . ?
C17 C18 1.402(7) . ?
C18 C19 1.384(6) . ?
C21 C22 1.395(9) . ?
C21 C26 1.375(12) . ?
C22 C23 1.362(15) . ?
C23 C24 1.29(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.418(12) . ?
C27 C28 1.386(8) . ?
C27 C32 1.397(8) . ?
C28 C29 1.380(9) . ?
C29 C30 1.376(11) . ?
C30 C31 1.389(11) . ?
C31 C32 1.378(9) . ?
C34 C35 1.526(7) . ?
C34 C36 1.539(6) . ?
C34 C37 1.529(7) . ?
C38 C39 1.491(6) . ?
C39 C40 1.385(7) . ?
C39 C44 1.387(7) . ?
C40 C41 1.386(6) . ?
C41 C42 1.359(8) . ?
C42 C43 1.386(9) . ?
C43 C44 1.402(6) . ?
C45 C46 1.407(11) . ?
C45 C47 1.619(12) . ?
C45 C48 1.507(8) . ?
Co2 Cl3 2.4060(12) . ?
Co2 P4 2.2149(14) . ?
Co2 P6 2.1976(14) . ?
Co2 Si3 2.2608(14) . ?
Co2 Si4 2.1715(15) . ?
Cl4 Si4 2.133(2) . ?
P4 C52 1.844(5) . ?
P4 C58 1.830(4) . ?
P4 C64 1.856(5) . ?
P5 C71 1.889(5) . ?
P5 C72 1.826(7) . ?
P5 C78 1.833(5) . ?
P6 C100 1.833(7) . ?
P6 C101 1.838(6) . ?
P6 C102 1.837(5) . ?
Si3 N5 1.782(4) . ?
Si3 N6 1.773(4) . ?
Si3 C84 1.882(5) . ?
Si4 N7 1.845(4) . ?
Si4 N8 1.850(4) . ?
Si4 C89 2.296(5) . ?
N5 C64 1.450(6) . ?
N5 C65 1.391(6) . ?
N6 C70 1.397(6) . ?
N6 C71 1.446(6) . ?
N7 C85 1.493(6) . ?
N7 C89 1.328(6) . ?
N8 C89 1.339(6) . ?
N8 C96 1.484(6) . ?
C52 C53 1.385(7) . ?
C52 C57 1.390(7) . ?
C53 C54 1.381(8) . ?
C54 C55 1.368(9) . ?
C55 C56 1.388(9) . ?
C56 C57 1.384(8) . ?
C58 C59 1.389(7) . ?
C58 C63 1.394(7) . ?
C59 C60 1.372(7) . ?
C60 C61 1.398(9) . ?
C61 C62 1.380(8) . ?
C62 C63 1.390(7) . ?
C65 C66 1.383(7) . ?
C65 C70 1.415(7) . ?
C66 C67 1.386(8) . ?
C67 C68 1.379(9) . ?
C68 C69 1.399(8) . ?
C69 C70 1.388(6) . ?
C72 C73 1.382(10) . ?
C72 C77 1.347(11) . ?
C73 C74 1.386(15) . ?
C74 C75 1.37(2) . ?
C75 C76 1.31(2) . ?
C76 C77 1.413(11) . ?
C78 C79 1.397(6) . ?
C78 C83 1.389(7) . ?
C79 C80 1.379(7) . ?
C80 C81 1.374(8) . ?
C81 C82 1.380(9) . ?
C82 C83 1.387(8) . ?
C85 C86 1.525(7) . ?
C85 C87 1.523(7) . ?
C85 C88 1.525(7) . ?
C89 C90 1.479(7) . ?
C90 C91 1.388(7) . ?
C90 C95 1.387(7) . ?
C91 C92 1.385(7) . ?
C92 C93 1.381(8) . ?
C93 C94 1.380(9) . ?
C94 C95 1.368(8) . ?
C96 C97 1.516(9) . ?
C96 C98 1.516(11) . ?
C96 C99 1.527(10) . ?
C104 C103 1.401(14) . ?
O1 C103 1.240(18) . ?
O1 C105 1.16(3) . ?
O2 C109 1.55(2) . ?
O2 C107 1.362(18) . ?
C108 C107 1.42(2) . ?
C109 C110 1.410(16) . ?
C106 C105 1.42(3) . ?

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
P1 Co1 Cl1 90.48(4) . . ?
P1 Co1 Si1 82.12(5) . . ?
P3 Co1 Cl1 98.79(5) . . ?
P3 Co1 P1 103.42(6) . . ?
P3 Co1 Si1 94.80(5) . . ?
Si1 Co1 Cl1 165.73(5) . . ?
Si2 Co1 Cl1 79.24(5) . . ?
Si2 Co1 P1 137.90(6) . . ?
Si2 Co1 P3 118.41(7) . . ?
Si2 Co1 Si1 98.09(5) . . ?
C1 P1 Co1 123.73(17) . . ?
C1 P1 C13 98.9(2) . . ?
C7 P1 Co1 115.95(17) . . ?
C7 P1 C1 100.8(2) . . ?
C7 P1 C13 104.8(2) . . ?
C13 P1 Co1 110.00(16) . . ?
C21 P2 C20 100.5(2) . . ?
C21 P2 C27 103.3(3) . . ?
C27 P2 C20 103.5(2) . . ?
C49 P3 Co1 116.3(3) . . ?
C49 P3 C50 101.8(3) . . ?
C50 P3 Co1 115.61(18) . . ?
C51 P3 Co1 121.4(2) . . ?
C51 P3 C49 98.4(4) . . ?
C51 P3 C50 99.9(3) . . ?
N1 Si1 Co1 105.25(13) . . ?
N1 Si1 C33 109.8(2) . . ?
N2 Si1 Co1 127.84(13) . . ?
N2 Si1 N1 88.70(17) . . ?
N2 Si1 C33 103.15(19) . . ?
C33 Si1 Co1 117.57(14) . . ?
Co1 Si2 C38 137.36(14) . . ?
Cl2 Si2 Co1 120.83(7) . . ?
Cl2 Si2 C38 101.79(14) . . ?
N3 Si2 Co1 128.48(15) . . ?
N3 Si2 Cl2 98.63(15) . . ?
N3 Si2 N4 70.45(18) . . ?
N3 Si2 C38 35.20(17) . . ?
N4 Si2 Co1 127.23(16) . . ?
N4 Si2 Cl2 98.43(16) . . ?
N4 Si2 C38 35.30(17) . . ?
C13 N1 Si1 120.4(3) . . ?
C14 N1 Si1 112.9(3) . . ?
C14 N1 C13 119.7(4) . . ?
C19 N2 Si1 112.8(3) . . ?
C19 N2 C20 118.9(4) . . ?
C20 N2 Si1 128.0(3) . . ?
C34 N3 Si2 138.1(3) . . ?
C38 N3 Si2 91.7(3) . . ?
C38 N3 C34 129.9(4) . . ?
C38 N4 Si2 90.7(3) . . ?
C38 N4 C45 130.1(4) . . ?
C45 N4 Si2 138.9(3) . . ?
C2 C1 P1 119.7(4) . . ?
C6 C1 P1 121.4(4) . . ?
C6 C1 C2 118.5(5) . . ?
C1 C2 C3 120.4(5) . . ?
C4 C3 C2 120.8(6) . . ?
C3 C4 C5 119.0(6) . . ?
C4 C5 C6 119.9(6) . . ?
C1 C6 C5 121.3(5) . . ?
C8 C7 P1 122.8(4) . . ?
C8 C7 C12 118.2(5) . . ?
C12 C7 P1 118.8(4) . . ?
C9 C8 C7 120.7(5) . . ?
C8 C9 C10 120.4(5) . . ?
C11 C10 C9 120.0(5) . . ?
C10 C11 C12 119.8(5) . . ?
C11 C12 C7 120.9(5) . . ?
N1 C13 P1 108.3(3) . . ?
N1 C14 C19 111.9(4) . . ?
C15 C14 N1 127.4(5) . . ?
C15 C14 C19 120.7(4) . . ?
C14 C15 C16 119.4(5) . . ?
C17 C16 C15 120.1(5) . . ?
C16 C17 C18 120.9(5) . . ?
C19 C18 C17 119.7(5) . . ?
N2 C19 C14 113.2(4) . . ?
C18 C19 N2 127.5(4) . . ?
C18 C19 C14 119.3(4) . . ?
N2 C20 P2 110.5(3) . . ?
C22 C21 P2 117.4(7) . . ?
C26 C21 P2 125.8(5) . . ?
C26 C21 C22 116.7(8) . . ?
C23 C22 C21 122.3(12) . . ?
C24 C23 C22 121.0(12) . . ?
C23 C24 C25 121.0(11) . . ?
C24 C25 C26 118.9(13) . . ?
C21 C26 C25 120.0(10) . . ?
C28 C27 P2 115.7(4) . . ?
C28 C27 C32 117.3(6) . . ?
C32 C27 P2 127.0(4) . . ?
C29 C28 C27 122.1(7) . . ?
C30 C29 C28 119.5(6) . . ?
C29 C30 C31 120.1(7) . . ?
C32 C31 C30 119.7(7) . . ?
C31 C32 C27 121.4(6) . . ?
N3 C34 C35 110.8(4) . . ?
N3 C34 C36 106.6(4) . . ?
N3 C34 C37 110.0(4) . . ?
C35 C34 C36 108.9(4) . . ?
C35 C34 C37 111.3(5) . . ?
C37 C34 C36 109.1(4) . . ?
N3 C38 Si2 53.1(2) . . ?
N3 C38 N4 107.0(4) . . ?
N3 C38 C39 127.3(4) . . ?
N4 C38 Si2 54.0(2) . . ?
N4 C38 C39 125.7(4) . . ?
C39 C38 Si2 177.6(4) . . ?
C40 C39 C38 121.7(4) . . ?
C40 C39 C44 120.0(4) . . ?
C44 C39 C38 118.3(4) . . ?
C39 C40 C41 120.1(5) . . ?
C42 C41 C40 120.2(5) . . ?
C41 C42 C43 120.6(5) . . ?
C42 C43 C44 119.8(5) . . ?
C39 C44 C43 119.2(5) . . ?
N4 C45 C47 108.4(5) . . ?
N4 C45 C48 106.1(5) . . ?
C46 C45 N4 115.5(6) . . ?
C46 C45 C47 104.6(8) . . ?
C46 C45 C48 114.6(7) . . ?
C48 C45 C47 107.2(6) . . ?
P4 Co2 Cl3 90.73(5) . . ?
P4 Co2 Si3 81.82(5) . . ?
P6 Co2 Cl3 97.61(5) . . ?
P6 Co2 P4 105.56(6) . . ?
P6 Co2 Si3 93.70(5) . . ?
Si3 Co2 Cl3 167.80(5) . . ?
Si4 Co2 Cl3 79.73(5) . . ?
Si4 Co2 P4 141.97(6) . . ?
Si4 Co2 P6 112.13(6) . . ?
Si4 Co2 Si3 100.23(5) . . ?
C52 P4 Co2 124.69(17) . . ?
C52 P4 C64 98.6(2) . . ?
C58 P4 Co2 114.54(16) . . ?
C58 P4 C52 101.9(2) . . ?
C58 P4 C64 104.0(2) . . ?
C64 P4 Co2 110.43(16) . . ?
C72 P5 C71 100.7(2) . . ?
C72 P5 C78 102.4(3) . . ?
C78 P5 C71 104.0(2) . . ?
C100 P6 Co2 119.6(2) . . ?
C100 P6 C101 99.3(4) . . ?
C100 P6 C102 98.4(3) . . ?
C101 P6 Co2 117.4(2) . . ?
C102 P6 Co2 116.2(2) . . ?
C102 P6 C101 102.6(3) . . ?
N5 Si3 Co2 105.73(14) . . ?
N5 Si3 C84 111.3(2) . . ?
N6 Si3 Co2 129.04(13) . . ?
N6 Si3 N5 88.49(19) . . ?
N6 Si3 C84 103.5(2) . . ?
C84 Si3 Co2 115.20(17) . . ?
Co2 Si4 C89 135.34(14) . . ?
Cl4 Si4 Co2 122.04(7) . . ?
Cl4 Si4 C89 102.58(14) . . ?
N7 Si4 Co2 125.63(14) . . ?
N7 Si4 Cl4 98.77(14) . . ?
N7 Si4 N8 70.87(17) . . ?
N7 Si4 C89 35.33(16) . . ?
N8 Si4 Co2 128.34(15) . . ?
N8 Si4 Cl4 98.06(15) . . ?
N8 Si4 C89 35.66(17) . . ?
C64 N5 Si3 120.5(3) . . ?
C65 N5 Si3 113.1(3) . . ?
C65 N5 C64 119.0(4) . . ?
C70 N6 Si3 113.0(3) . . ?
C70 N6 C71 118.4(4) . . ?
C71 N6 Si3 128.3(3) . . ?
C85 N7 Si4 138.2(3) . . ?
C89 N7 Si4 91.2(3) . . ?
C89 N7 C85 130.2(4) . . ?
C89 N8 Si4 90.7(3) . . ?
C89 N8 C96 129.5(4) . . ?
C96 N8 Si4 139.9(4) . . ?
C53 C52 P4 119.4(4) . . ?
C53 C52 C57 120.1(5) . . ?
C57 C52 P4 120.2(4) . . ?
C54 C53 C52 119.8(5) . . ?
C55 C54 C53 120.4(6) . . ?
C54 C55 C56 120.1(6) . . ?
C57 C56 C55 120.2(5) . . ?
C56 C57 C52 119.3(5) . . ?
C59 C58 P4 122.5(4) . . ?
C59 C58 C63 118.5(4) . . ?
C63 C58 P4 118.7(4) . . ?
C60 C59 C58 121.2(5) . . ?
C59 C60 C61 120.1(5) . . ?
C62 C61 C60 119.5(5) . . ?
C61 C62 C63 120.1(5) . . ?
C62 C63 C58 120.7(5) . . ?
N5 C64 P4 107.8(3) . . ?
N5 C65 C70 112.3(4) . . ?
C66 C65 N5 128.1(5) . . ?
C66 C65 C70 119.5(4) . . ?
C65 C66 C67 119.9(5) . . ?
C68 C67 C66 120.8(5) . . ?
C67 C68 C69 120.2(5) . . ?
C70 C69 C68 119.3(5) . . ?
N6 C70 C65 112.6(4) . . ?
C69 C70 N6 127.2(5) . . ?
C69 C70 C65 120.2(5) . . ?
N6 C71 P5 110.8(3) . . ?
C73 C72 P5 118.8(7) . . ?
C77 C72 P5 124.1(6) . . ?
C77 C72 C73 117.0(8) . . ?
C72 C73 C74 121.6(12) . . ?
C75 C74 C73 119.5(12) . . ?
C76 C75 C74 119.4(10) . . ?
C75 C76 C77 121.6(14) . . ?
C72 C77 C76 120.8(11) . . ?
C79 C78 P5 115.8(4) . . ?
C83 C78 P5 126.5(4) . . ?
C83 C78 C79 117.7(5) . . ?
C80 C79 C78 121.4(5) . . ?
C81 C80 C79 120.1(5) . . ?
C80 C81 C82 119.5(5) . . ?
C81 C82 C83 120.6(5) . . ?
C82 C83 C78 120.7(5) . . ?
N7 C85 C86 110.2(4) . . ?
N7 C85 C87 110.4(4) . . ?
N7 C85 C88 106.8(4) . . ?
C87 C85 C86 110.2(4) . . ?
C87 C85 C88 108.7(4) . . ?
C88 C85 C86 110.4(4) . . ?
N7 C89 Si4 53.5(2) . . ?
N7 C89 N8 106.9(4) . . ?
N7 C89 C90 127.5(4) . . ?
N8 C89 Si4 53.7(2) . . ?
N8 C89 C90 125.5(4) . . ?
C90 C89 Si4 172.5(4) . . ?
C91 C90 C89 117.5(4) . . ?
C95 C90 C89 123.0(5) . . ?
C95 C90 C91 119.4(5) . . ?
C92 C91 C90 119.8(5) . . ?
C93 C92 C91 119.9(5) . . ?
C94 C93 C92 120.2(5) . . ?
C95 C94 C93 120.0(5) . . ?
C94 C95 C90 120.6(6) . . ?
N8 C96 C97 105.4(5) . . ?
N8 C96 C98 109.9(5) . . ?
N8 C96 C99 111.7(5) . . ?
C97 C96 C98 109.8(5) . . ?
C97 C96 C99 108.9(7) . . ?
C98 C96 C99 111.0(8) . . ?
C105 O1 C103 132(3) . . ?
C107 O2 C109 112.7(16) . . ?
C110 C109 O2 109(2) . . ?
O1 C103 C104 124.3(19) . . ?
O2 C107 C108 122.1(18) . . ?
O1 C105 C106 135(3) . . ?

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
Co1 P1 C1 C2 179.3(4) . . . . ?
Co1 P1 C1 C6 -8.2(5) . . . . ?
Co1 P1 C7 C8 96.0(4) . . . . ?
Co1 P1 C7 C12 -78.3(4) . . . . ?
Co1 P1 C13 N1 -23.8(4) . . . . ?
Co1 Si1 N1 C13 27.9(4) . . . . ?
Co1 Si1 N1 C14 -122.7(3) . . . . ?
Co1 Si1 N2 C19 102.3(3) . . . . ?
Co1 Si1 N2 C20 -83.2(4) . . . . ?
Co1 Si2 N3 C34 -52.6(5) . . . . ?
Co1 Si2 N3 C38 120.2(3) . . . . ?
Co1 Si2 N4 C38 -121.7(3) . . . . ?
Co1 Si2 N4 C45 52.7(7) . . . . ?
Cl2 Si2 N3 C34 88.9(5) . . . . ?
Cl2 Si2 N3 C38 -98.2(3) . . . . ?
Cl2 Si2 N4 C38 98.5(3) . . . . ?
Cl2 Si2 N4 C45 -87.1(6) . . . . ?
P1 C1 C2 C3 173.3(5) . . . . ?
P1 C1 C6 C5 -173.2(5) . . . . ?
P1 C7 C8 C9 -174.4(5) . . . . ?
P1 C7 C12 C11 175.1(4) . . . . ?
P2 C21 C22 C23 -179.1(6) . . . . ?
P2 C21 C26 C25 178.2(8) . . . . ?
P2 C27 C28 C29 179.3(5) . . . . ?
P2 C27 C32 C31 -179.1(5) . . . . ?
Si1 N1 C13 P1 -3.4(5) . . . . ?
Si1 N1 C14 C15 172.3(4) . . . . ?
Si1 N1 C14 C19 -5.2(5) . . . . ?
Si1 N2 C19 C14 4.5(4) . . . . ?
Si1 N2 C19 C18 -173.6(4) . . . . ?
Si1 N2 C20 P2 -109.9(3) . . . . ?
Si2 N3 C34 C35 -130.8(5) . . . . ?
Si2 N3 C34 C36 -12.5(7) . . . . ?
Si2 N3 C34 C37 105.7(5) . . . . ?
Si2 N3 C38 N4 3.2(4) . . . . ?
Si2 N3 C38 C39 -177.1(5) . . . . ?
Si2 N4 C38 N3 -3.1(4) . . . . ?
Si2 N4 C38 C39 177.1(4) . . . . ?
Si2 N4 C45 C46 148.3(7) . . . . ?
Si2 N4 C45 C47 -94.7(7) . . . . ?
Si2 N4 C45 C48 20.1(9) . . . . ?
N1 Si1 N2 C19 -6.1(3) . . . . ?
N1 Si1 N2 C20 168.4(4) . . . . ?
N1 C14 C15 C16 -177.4(4) . . . . ?
N1 C14 C19 N2 0.4(5) . . . . ?
N1 C14 C19 C18 178.7(4) . . . . ?
N2 Si1 N1 C13 156.9(4) . . . . ?
N2 Si1 N1 C14 6.4(3) . . . . ?
N3 Si2 N4 C38 2.3(3) . . . . ?
N3 Si2 N4 C45 176.7(7) . . . . ?
N3 C38 C39 C40 -86.5(7) . . . . ?
N3 C38 C39 C44 94.8(6) . . . . ?
N4 Si2 N3 C34 -175.1(5) . . . . ?
N4 Si2 N3 C38 -2.3(3) . . . . ?
N4 C38 C39 C40 93.2(6) . . . . ?
N4 C38 C39 C44 -85.5(6) . . . . ?
C1 P1 C7 C8 -127.7(5) . . . . ?
C1 P1 C7 C12 57.9(4) . . . . ?
C1 P1 C13 N1 -154.8(3) . . . . ?
C1 C2 C3 C4 -1.1(10) . . . . ?
C2 C1 C6 C5 -0.6(8) . . . . ?
C2 C3 C4 C5 1.7(10) . . . . ?
C3 C4 C5 C6 -1.7(10) . . . . ?
C4 C5 C6 C1 1.2(9) . . . . ?
C6 C1 C2 C3 0.6(9) . . . . ?
C7 P1 C1 C2 47.7(5) . . . . ?
C7 P1 C1 C6 -139.8(5) . . . . ?
C7 P1 C13 N1 101.4(4) . . . . ?
C7 C8 C9 C10 -0.4(9) . . . . ?
C8 C7 C12 C11 0.5(8) . . . . ?
C8 C9 C10 C11 0.3(9) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C10 C11 C12 C7 -0.6(8) . . . . ?
C12 C7 C8 C9 0.0(8) . . . . ?
C13 P1 C1 C2 -59.3(5) . . . . ?
C13 P1 C1 C6 113.2(5) . . . . ?
C13 P1 C7 C8 -25.4(5) . . . . ?
C13 P1 C7 C12 160.3(4) . . . . ?
C13 N1 C14 C15 21.4(7) . . . . ?
C13 N1 C14 C19 -156.0(4) . . . . ?
C14 N1 C13 P1 145.2(3) . . . . ?
C14 C15 C16 C17 -0.6(8) . . . . ?
C15 C14 C19 N2 -177.2(4) . . . . ?
C15 C14 C19 C18 1.0(6) . . . . ?
C15 C16 C17 C18 0.5(8) . . . . ?
C16 C17 C18 C19 0.4(7) . . . . ?
C17 C18 C19 N2 176.8(4) . . . . ?
C17 C18 C19 C14 -1.2(6) . . . . ?
C19 N2 C20 P2 64.4(5) . . . . ?
C19 C14 C15 C16 -0.1(7) . . . . ?
C20 P2 C21 C22 117.8(5) . . . . ?
C20 P2 C21 C26 -59.3(7) . . . . ?
C20 P2 C27 C28 -148.4(4) . . . . ?
C20 P2 C27 C32 30.3(5) . . . . ?
C20 N2 C19 C14 -170.6(4) . . . . ?
C20 N2 C19 C18 11.3(6) . . . . ?
C21 P2 C20 N2 -140.7(4) . . . . ?
C21 P2 C27 C28 107.2(4) . . . . ?
C21 P2 C27 C32 -74.1(5) . . . . ?
C21 C22 C23 C24 4.1(16) . . . . ?
C22 C21 C26 C25 1.2(13) . . . . ?
C22 C23 C24 C25 -6(2) . . . . ?
C23 C24 C25 C26 5.0(19) . . . . ?
C24 C25 C26 C21 -2.7(17) . . . . ?
C26 C21 C22 C23 -1.8(11) . . . . ?
C27 P2 C20 N2 112.7(3) . . . . ?
C27 P2 C21 C22 -135.5(5) . . . . ?
C27 P2 C21 C26 47.5(7) . . . . ?
C27 C28 C29 C30 0.0(9) . . . . ?
C28 C27 C32 C31 -0.4(8) . . . . ?
C28 C29 C30 C31 -0.5(10) . . . . ?
C29 C30 C31 C32 0.6(10) . . . . ?
C30 C31 C32 C27 -0.1(10) . . . . ?
C32 C27 C28 C29 0.5(8) . . . . ?
C33 Si1 N1 C13 -99.5(4) . . . . ?
C33 Si1 N1 C14 109.9(3) . . . . ?
C33 Si1 N2 C19 -116.2(3) . . . . ?
C33 Si1 N2 C20 58.4(4) . . . . ?
C34 N3 C38 Si2 173.7(6) . . . . ?
C34 N3 C38 N4 176.9(4) . . . . ?
C34 N3 C38 C39 -3.4(8) . . . . ?
C38 Si2 N3 C34 -172.8(7) . . . . ?
C38 Si2 N4 C45 174.4(8) . . . . ?
C38 N3 C34 C35 58.6(7) . . . . ?
C38 N3 C34 C36 176.9(5) . . . . ?
C38 N3 C34 C37 -65.0(6) . . . . ?
C38 N4 C45 C46 -39.0(11) . . . . ?
C38 N4 C45 C47 77.9(8) . . . . ?
C38 N4 C45 C48 -167.2(6) . . . . ?
C38 C39 C40 C41 -177.6(5) . . . . ?
C38 C39 C44 C43 177.2(5) . . . . ?
C39 C40 C41 C42 -0.4(8) . . . . ?
C40 C39 C44 C43 -1.5(8) . . . . ?
C40 C41 C42 C43 0.1(9) . . . . ?
C41 C42 C43 C44 -0.5(9) . . . . ?
C42 C43 C44 C39 1.2(8) . . . . ?
C44 C39 C40 C41 1.1(8) . . . . ?
C45 N4 C38 Si2 -175.2(7) . . . . ?
C45 N4 C38 N3 -178.3(6) . . . . ?
C45 N4 C38 C39 1.9(9) . . . . ?
Co2 P4 C52 C53 -173.5(3) . . . . ?
Co2 P4 C52 C57 12.1(5) . . . . ?
Co2 P4 C58 C59 -96.9(4) . . . . ?
Co2 P4 C58 C63 75.9(4) . . . . ?
Co2 P4 C64 N5 25.5(3) . . . . ?
Co2 Si3 N5 C64 -26.0(3) . . . . ?
Co2 Si3 N5 C65 123.6(3) . . . . ?
Co2 Si3 N6 C70 -103.4(3) . . . . ?
Co2 Si3 N6 C71 82.8(4) . . . . ?
Co2 Si4 N7 C85 52.7(5) . . . . ?
Co2 Si4 N7 C89 -120.1(3) . . . . ?
Co2 Si4 N8 C89 117.0(3) . . . . ?
Co2 Si4 N8 C96 -62.5(7) . . . . ?
Cl4 Si4 N7 C85 -87.8(5) . . . . ?
Cl4 Si4 N7 C89 99.4(3) . . . . ?
Cl4 Si4 N8 C89 -100.4(3) . . . . ?
Cl4 Si4 N8 C96 80.2(6) . . . . ?
P4 C52 C53 C54 -173.5(5) . . . . ?
P4 C52 C57 C56 173.7(5) . . . . ?
P4 C58 C59 C60 172.9(4) . . . . ?
P4 C58 C63 C62 -173.4(4) . . . . ?
P5 C72 C73 C74 178.3(6) . . . . ?
P5 C72 C77 C76 -177.2(7) . . . . ?
P5 C78 C79 C80 -178.7(4) . . . . ?
P5 C78 C83 C82 177.4(4) . . . . ?
Si3 N5 C64 P4 1.1(4) . . . . ?
Si3 N5 C65 C66 -171.9(4) . . . . ?
Si3 N5 C65 C70 6.2(5) . . . . ?
Si3 N6 C70 C65 -3.4(5) . . . . ?
Si3 N6 C70 C69 175.3(4) . . . . ?
Si3 N6 C71 P5 108.8(4) . . . . ?
Si4 N7 C85 C86 -104.1(5) . . . . ?
Si4 N7 C85 C87 133.9(4) . . . . ?
Si4 N7 C85 C88 15.9(7) . . . . ?
Si4 N7 C89 N8 -5.3(4) . . . . ?
Si4 N7 C89 C90 170.6(5) . . . . ?
Si4 N8 C89 N7 5.3(4) . . . . ?
Si4 N8 C89 C90 -170.8(4) . . . . ?
Si4 N8 C96 C97 -12.7(9) . . . . ?
Si4 N8 C96 C98 105.6(7) . . . . ?
Si4 N8 C96 C99 -130.7(8) . . . . ?
N5 Si3 N6 C70 5.7(3) . . . . ?
N5 Si3 N6 C71 -168.1(4) . . . . ?
N5 C65 C66 C67 179.4(5) . . . . ?
N5 C65 C70 N6 -1.8(5) . . . . ?
N5 C65 C70 C69 179.4(4) . . . . ?
N6 Si3 N5 C64 -156.3(3) . . . . ?
N6 Si3 N5 C65 -6.7(3) . . . . ?
N7 Si4 N8 C89 -3.8(3) . . . . ?
N7 Si4 N8 C96 176.7(7) . . . . ?
N7 C89 C90 C91 -90.5(6) . . . . ?
N7 C89 C90 C95 91.6(6) . . . . ?
N8 Si4 N7 C85 176.7(5) . . . . ?
N8 Si4 N7 C89 3.9(3) . . . . ?
N8 C89 C90 C91 84.7(6) . . . . ?
N8 C89 C90 C95 -93.2(6) . . . . ?
C52 P4 C58 C59 125.8(5) . . . . ?
C52 P4 C58 C63 -61.4(4) . . . . ?
C52 P4 C64 N5 157.6(3) . . . . ?
C52 C53 C54 C55 0.8(10) . . . . ?
C53 C52 C57 C56 -0.6(8) . . . . ?
C53 C54 C55 C56 -2.8(11) . . . . ?
C54 C55 C56 C57 3.1(11) . . . . ?
C55 C56 C57 C52 -1.3(9) . . . . ?
C57 C52 C53 C54 0.9(9) . . . . ?
C58 P4 C52 C53 -42.1(5) . . . . ?
C58 P4 C52 C57 143.5(4) . . . . ?
C58 P4 C64 N5 -97.8(3) . . . . ?
C58 C59 C60 C61 -0.1(9) . . . . ?
C59 C58 C63 C62 -0.3(8) . . . . ?
C59 C60 C61 C62 0.5(9) . . . . ?
C60 C61 C62 C63 -0.8(8) . . . . ?
C61 C62 C63 C58 0.7(8) . . . . ?
C63 C58 C59 C60 0.0(8) . . . . ?
C64 P4 C52 C53 64.3(5) . . . . ?
C64 P4 C52 C57 -110.1(5) . . . . ?
C64 P4 C58 C59 23.7(5) . . . . ?
C64 P4 C58 C63 -163.5(4) . . . . ?
C64 N5 C65 C66 -21.8(7) . . . . ?
C64 N5 C65 C70 156.3(4) . . . . ?
C65 N5 C64 P4 -146.7(3) . . . . ?
C65 C66 C67 C68 0.6(8) . . . . ?
C66 C65 C70 N6 176.5(4) . . . . ?
C66 C65 C70 C69 -2.3(7) . . . . ?
C66 C67 C68 C69 -1.6(8) . . . . ?
C67 C68 C69 C70 0.7(7) . . . . ?
C68 C69 C70 N6 -177.4(4) . . . . ?
C68 C69 C70 C65 1.3(7) . . . . ?
C70 N6 C71 P5 -64.6(5) . . . . ?
C70 C65 C66 C67 1.4(7) . . . . ?
C71 P5 C72 C73 -122.0(5) . . . . ?
C71 P5 C72 C77 57.0(7) . . . . ?
C71 P5 C78 C79 161.5(4) . . . . ?
C71 P5 C78 C83 -16.5(5) . . . . ?
C71 N6 C70 C65 171.0(4) . . . . ?
C71 N6 C70 C69 -10.3(6) . . . . ?
C72 P5 C71 N6 138.4(4) . . . . ?
C72 P5 C78 C79 -93.9(4) . . . . ?
C72 P5 C78 C83 88.1(5) . . . . ?
C72 C73 C74 C75 -1.8(13) . . . . ?
C73 C72 C77 C76 1.8(12) . . . . ?
C73 C74 C75 C76 3.4(17) . . . . ?
C74 C75 C76 C77 -2.4(18) . . . . ?
C75 C76 C77 C72 -0.3(16) . . . . ?
C77 C72 C73 C74 -0.7(11) . . . . ?
C78 P5 C71 N6 -115.8(3) . . . . ?
C78 P5 C72 C73 131.0(5) . . . . ?
C78 P5 C72 C77 -50.1(7) . . . . ?
C78 C79 C80 C81 1.7(8) . . . . ?
C79 C78 C83 C82 -0.6(8) . . . . ?
C79 C80 C81 C82 -1.7(9) . . . . ?
C80 C81 C82 C83 0.7(9) . . . . ?
C81 C82 C83 C78 0.5(9) . . . . ?
C83 C78 C79 C80 -0.5(8) . . . . ?
C84 Si3 N5 C64 99.9(4) . . . . ?
C84 Si3 N5 C65 -110.6(3) . . . . ?
C84 Si3 N6 C70 117.3(3) . . . . ?
C84 Si3 N6 C71 -56.5(4) . . . . ?
C85 N7 C89 Si4 -173.8(6) . . . . ?
C85 N7 C89 N8 -179.0(4) . . . . ?
C85 N7 C89 C90 -3.1(8) . . . . ?
C89 Si4 N7 C85 172.8(7) . . . . ?
C89 Si4 N8 C96 -179.5(8) . . . . ?
C89 N7 C85 C86 66.5(6) . . . . ?
C89 N7 C85 C87 -55.5(6) . . . . ?
C89 N7 C85 C88 -173.5(5) . . . . ?
C89 N8 C96 C97 168.0(5) . . . . ?
C89 N8 C96 C98 -73.7(7) . . . . ?
C89 N8 C96 C99 50.0(10) . . . . ?
C89 C90 C91 C92 -176.6(4) . . . . ?
C89 C90 C95 C94 175.5(5) . . . . ?
C90 C91 C92 C93 0.7(7) . . . . ?
C91 C90 C95 C94 -2.3(7) . . . . ?
C91 C92 C93 C94 -1.6(8) . . . . ?
C92 C93 C94 C95 0.7(8) . . . . ?
C93 C94 C95 C90 1.3(8) . . . . ?
C95 C90 C91 C92 1.3(7) . . . . ?
C96 N8 C89 Si4 179.6(6) . . . . ?
C96 N8 C89 N7 -175.2(5) . . . . ?
C96 N8 C89 C90 8.8(9) . . . . ?
C109 O2 C107 C108 174.5(18) . . . . ?
C103 O1 C105 C106 171(3) . . . . ?
C107 O2 C109 C110 -175(2) . . . . ?
C105 O1 C103 C104 178(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_sun19
_database_code_depnum_ccdc_archive 'CCDC 1551142'
_audit_update_record             
;
2017-05-19 deposited with the CCDC.
2018-01-17 downloaded from the CCDC.
;
_audit_creation_date             2016-03-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C36 H64 Cl3 Co N4 P2 Si2, C5 H12'
_chemical_formula_sum            'C41 H76 Cl3 Co N4 P2 Si2'
_chemical_formula_weight         908.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.8468(3)
_cell_length_b                   19.5827(5)
_cell_length_c                   18.5459(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.406(2)
_cell_angle_gamma                90
_cell_volume                     4891.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17211
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      65.85
_cell_measurement_theta_min      4.91
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.581
_exptl_absorpt_correction_T_max  0.7714
_exptl_absorpt_correction_T_min  0.5008
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1944
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
28 30 -5 0.0206
-5 5 1 0.0181
-15 -14 5 0.0196
15 -13 -1 0.0164
5 -7 30 0.0641
-5 2 -30 0.0610

_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0853
_diffrn_reflns_Laue_measured_fraction_full 0.901
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            22857
_diffrn_reflns_point_group_measured_fraction_full 0.901
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         65.192
_diffrn_reflns_theta_min         4.903
_diffrn_ambient_temperature      150.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '2.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'secondary plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'Cu Genix 3D'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Cu
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4999
_reflns_number_total             7980
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.311
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.875
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         7980
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0466
_refine_ls_restrained_S_all      0.880
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1097
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C40A-C39A = C41A-C40A
 1.54 with sigma of 0.02
 C38A-C37A
 1.54 with sigma of 0.02
 C40B-C41B
 1.54 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A: within 1.7A with sigma of
0.01 and sigma for terminal atoms of 0.03
C37B \\sim C38B \\sim C39B \\sim C40B \\sim C41B: within 1.7A with sigma of
0.01 and sigma for terminal atoms of 0.03
4. Others
 Fixed Sof: C37B(0.5) H37A(0.5) H37B(0.5) H37C(0.5) C38A(0.5) H38C(0.5)
 H38D(0.5) C40B(0.5) H40A(0.5) H40B(0.5) C41B(0.5) H41A(0.5) H41B(0.5)
 H41C(0.5) C37A(0.5) H37D(0.5) H37E(0.5) H37F(0.5) C40A(0.5) H40C(0.5)
 H40D(0.5) C41A(0.5) H41D(0.5) H41E(0.5) H41F(0.5) C39B(0.5) H39A(0.5)
 H39B(0.5) C39A(0.5) H39C(0.5) H39D(0.5) C38B(0.5) H38A(0.5) H38B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C38A(H38C,H38D), C40B(H40A,H40B), C40A(H40C,H40D), C39B(H39A,H39B), C39A(H39C,
 H39D), C38B(H38A,H38B)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C22(H22), C23(H23), C24(H24),
 C25(H25), C26(H26)
5.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C13(H13A,H13B,H13C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C),
 C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37B(H37A,H37B,
 H37C), C41B(H41A,H41B,H41C), C37A(H37D,H37E,H37F), C41A(H41D,H41E,H41F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.25777(4) 0.21037(3) 0.75644(3) 0.03395(16) Uani 1 1 d . . . . .
Cl1 Cl 0.36014(7) 0.11972(5) 0.60835(5) 0.0466(2) Uani 1 1 d . . . . .
Cl2 Cl 0.25381(7) 0.40397(5) 0.76950(6) 0.0472(2) Uani 1 1 d . . . . .
Cl3 Cl 0.19473(7) 0.14178(5) 0.84300(5) 0.0420(2) Uani 1 1 d . . . . .
P1 P 0.36156(7) 0.24938(5) 0.85664(5) 0.0401(2) Uani 1 1 d . . . . .
P2 P 0.14367(7) 0.15774(5) 0.67304(6) 0.0402(2) Uani 1 1 d . . . . .
Si1 Si 0.37992(7) 0.16638(5) 0.71657(6) 0.0351(2) Uani 1 1 d . . . . .
Si2 Si 0.18307(7) 0.30849(5) 0.72945(6) 0.0346(2) Uani 1 1 d . . . . .
N1 N 0.4805(2) 0.10323(15) 0.76326(17) 0.0376(7) Uani 1 1 d . . . . .
N2 N 0.5074(2) 0.20073(15) 0.71831(17) 0.0363(7) Uani 1 1 d . . . . .
N3 N 0.0544(2) 0.33580(15) 0.73901(17) 0.0368(7) Uani 1 1 d . . . . .
N4 N 0.1080(2) 0.34441(15) 0.63873(17) 0.0364(7) Uani 1 1 d . . . . .
C1 C 0.4853(3) 0.0331(2) 0.7937(2) 0.0451(10) Uani 1 1 d . . . . .
C2 C 0.5672(3) 0.0237(2) 0.8633(3) 0.0641(13) Uani 1 1 d . . . . .
H2A H 0.6320 0.0271 0.8508 0.096 Uiso 1 1 calc GR . . . .
H2B H 0.5606 -0.0213 0.8848 0.096 Uiso 1 1 calc GR . . . .
H2C H 0.5617 0.0593 0.8993 0.096 Uiso 1 1 calc GR . . . .
C3 C 0.5008(4) -0.0169(2) 0.7341(3) 0.0612(13) Uani 1 1 d . . . . .
H3A H 0.4481 -0.0107 0.6892 0.092 Uiso 1 1 calc GR . . . .
H3B H 0.4990 -0.0637 0.7522 0.092 Uiso 1 1 calc GR . . . .
H3C H 0.5654 -0.0082 0.7227 0.092 Uiso 1 1 calc GR . . . .
C4 C 0.3858(3) 0.0182(2) 0.8104(3) 0.0590(12) Uani 1 1 d . . . . .
H4A H 0.3736 0.0507 0.8475 0.089 Uiso 1 1 calc GR . . . .
H4B H 0.3857 -0.0284 0.8298 0.089 Uiso 1 1 calc GR . . . .
H4C H 0.3335 0.0226 0.7650 0.089 Uiso 1 1 calc GR . . . .
C5 C 0.5510(3) 0.14461(19) 0.7519(2) 0.0373(9) Uani 1 1 d . . . . .
C6 C 0.6613(3) 0.13353(19) 0.7766(2) 0.0399(9) Uani 1 1 d . . . . .
C7 C 0.7116(3) 0.0937(2) 0.7354(2) 0.0461(10) Uani 1 1 d . . . . .
H7 H 0.6764 0.0721 0.6912 0.055 Uiso 1 1 calc R . . . .
C8 C 0.8142(3) 0.0854(2) 0.7593(3) 0.0486(10) Uani 1 1 d . . . . .
H8 H 0.8490 0.0579 0.7314 0.058 Uiso 1 1 calc R . . . .
C9 C 0.8650(3) 0.1170(2) 0.8230(3) 0.0514(11) Uani 1 1 d . . . . .
H9 H 0.9350 0.1120 0.8387 0.062 Uiso 1 1 calc R . . . .
C10 C 0.8143(3) 0.1562(2) 0.8644(2) 0.0511(11) Uani 1 1 d . . . . .
H10 H 0.8492 0.1774 0.9089 0.061 Uiso 1 1 calc R . . . .
C11 C 0.7124(3) 0.1644(2) 0.8406(2) 0.0465(10) Uani 1 1 d . . . . .
H11 H 0.6776 0.1915 0.8687 0.056 Uiso 1 1 calc R . . . .
C12 C 0.5486(3) 0.2521(2) 0.6742(2) 0.0424(9) Uani 1 1 d . . . . .
C13 C 0.5847(3) 0.2165(2) 0.6115(2) 0.0520(11) Uani 1 1 d . . . . .
H13A H 0.6440 0.1894 0.6326 0.078 Uiso 1 1 calc GR . . . .
H13B H 0.6008 0.2509 0.5778 0.078 Uiso 1 1 calc GR . . . .
H13C H 0.5323 0.1864 0.5841 0.078 Uiso 1 1 calc GR . . . .
C14 C 0.6338(3) 0.2936(2) 0.7213(2) 0.0513(11) Uani 1 1 d . . . . .
H14A H 0.6114 0.3155 0.7620 0.077 Uiso 1 1 calc GR . . . .
H14B H 0.6548 0.3287 0.6904 0.077 Uiso 1 1 calc GR . . . .
H14C H 0.6898 0.2633 0.7416 0.077 Uiso 1 1 calc GR . . . .
C15 C 0.4635(3) 0.2994(2) 0.6410(2) 0.0451(10) Uani 1 1 d . . . . .
H15A H 0.4116 0.2737 0.6067 0.068 Uiso 1 1 calc GR . . . .
H15B H 0.4876 0.3363 0.6140 0.068 Uiso 1 1 calc GR . . . .
H15C H 0.4361 0.3189 0.6806 0.068 Uiso 1 1 calc GR . . . .
C16 C -0.0029(3) 0.3383(2) 0.7979(2) 0.0437(9) Uani 1 1 d . . . . .
C17 C 0.0109(4) 0.4097(2) 0.8318(3) 0.0723(15) Uani 1 1 d . . . . .
H17A H 0.0820 0.4192 0.8496 0.108 Uiso 1 1 calc GR . . . .
H17B H -0.0215 0.4121 0.8734 0.108 Uiso 1 1 calc GR . . . .
H17C H -0.0187 0.4435 0.7942 0.108 Uiso 1 1 calc GR . . . .
C18 C -0.1121(3) 0.3214(3) 0.7688(3) 0.0686(14) Uani 1 1 d . . . . .
H18A H -0.1449 0.3590 0.7377 0.103 Uiso 1 1 calc GR . . . .
H18B H -0.1434 0.3149 0.8106 0.103 Uiso 1 1 calc GR . . . .
H18C H -0.1185 0.2794 0.7394 0.103 Uiso 1 1 calc GR . . . .
C19 C 0.0417(3) 0.2861(2) 0.8554(2) 0.0568(12) Uani 1 1 d . . . . .
H19A H 0.0306 0.2403 0.8338 0.085 Uiso 1 1 calc GR . . . .
H19B H 0.0105 0.2897 0.8975 0.085 Uiso 1 1 calc GR . . . .
H19C H 0.1132 0.2944 0.8722 0.085 Uiso 1 1 calc GR . . . .
C20 C 0.0296(3) 0.35589(18) 0.6690(2) 0.0361(9) Uani 1 1 d . . . . .
C21 C -0.0696(3) 0.38121(19) 0.6277(2) 0.0356(8) Uani 1 1 d . . . . .
C22 C -0.1352(3) 0.3351(2) 0.5854(2) 0.0431(9) Uani 1 1 d . . . . .
H22 H -0.1156 0.2891 0.5810 0.052 Uiso 1 1 calc R . . . .
C23 C -0.2296(3) 0.3567(2) 0.5495(2) 0.0520(11) Uani 1 1 d . . . . .
H23 H -0.2746 0.3255 0.5202 0.062 Uiso 1 1 calc R . . . .
C24 C -0.2581(3) 0.4235(3) 0.5565(2) 0.0533(11) Uani 1 1 d . . . . .
H24 H -0.3229 0.4380 0.5320 0.064 Uiso 1 1 calc R . . . .
C25 C -0.1937(3) 0.4692(2) 0.5985(2) 0.0529(11) Uani 1 1 d . . . . .
H25 H -0.2139 0.5150 0.6032 0.064 Uiso 1 1 calc R . . . .
C26 C -0.0986(3) 0.4482(2) 0.6343(2) 0.0429(9) Uani 1 1 d . . . . .
H26 H -0.0536 0.4798 0.6631 0.052 Uiso 1 1 calc R . . . .
C27 C 0.1298(3) 0.3785(2) 0.5727(2) 0.0368(9) Uani 1 1 d . . . . .
C28 C 0.1343(3) 0.4559(2) 0.5832(2) 0.0461(10) Uani 1 1 d . . . . .
H28A H 0.0677 0.4734 0.5821 0.069 Uiso 1 1 calc GR . . . .
H28B H 0.1593 0.4770 0.5432 0.069 Uiso 1 1 calc GR . . . .
H28C H 0.1788 0.4670 0.6310 0.069 Uiso 1 1 calc GR . . . .
C29 C 0.0542(3) 0.3607(2) 0.5015(2) 0.0468(10) Uani 1 1 d . . . . .
H29A H 0.0465 0.3110 0.4975 0.070 Uiso 1 1 calc GR . . . .
H29B H 0.0773 0.3780 0.4588 0.070 Uiso 1 1 calc GR . . . .
H29C H -0.0098 0.3816 0.5023 0.070 Uiso 1 1 calc GR . . . .
C30 C 0.2322(3) 0.3531(2) 0.5679(2) 0.0455(10) Uani 1 1 d . . . . .
H30A H 0.2818 0.3685 0.6116 0.068 Uiso 1 1 calc GR . . . .
H30B H 0.2487 0.3715 0.5230 0.068 Uiso 1 1 calc GR . . . .
H30C H 0.2321 0.3031 0.5659 0.068 Uiso 1 1 calc GR . . . .
C31 C 0.3081(3) 0.2907(2) 0.9269(2) 0.0478(10) Uani 1 1 d . . . . .
H31A H 0.2748 0.3331 0.9066 0.072 Uiso 1 1 calc GR . . . .
H31B H 0.3611 0.3013 0.9705 0.072 Uiso 1 1 calc GR . . . .
H31C H 0.2599 0.2600 0.9411 0.072 Uiso 1 1 calc GR . . . .
C32 C 0.4361(3) 0.1848(2) 0.9157(2) 0.0545(11) Uani 1 1 d . . . . .
H32A H 0.3925 0.1493 0.9275 0.082 Uiso 1 1 calc GR . . . .
H32B H 0.4730 0.2062 0.9616 0.082 Uiso 1 1 calc GR . . . .
H32C H 0.4830 0.1644 0.8896 0.082 Uiso 1 1 calc GR . . . .
C33 C 0.4604(3) 0.3092(2) 0.8511(2) 0.0511(10) Uani 1 1 d . . . . .
H33A H 0.5091 0.2866 0.8284 0.077 Uiso 1 1 calc GR . . . .
H33B H 0.4931 0.3247 0.9010 0.077 Uiso 1 1 calc GR . . . .
H33C H 0.4322 0.3486 0.8208 0.077 Uiso 1 1 calc GR . . . .
C34 C 0.1200(3) 0.1772(2) 0.5745(2) 0.0480(10) Uani 1 1 d . . . . .
H34A H 0.0940 0.2238 0.5658 0.072 Uiso 1 1 calc GR . . . .
H34B H 0.0712 0.1449 0.5467 0.072 Uiso 1 1 calc GR . . . .
H34C H 0.1819 0.1734 0.5578 0.072 Uiso 1 1 calc GR . . . .
C35 C 0.0171(3) 0.1662(2) 0.6859(3) 0.0521(11) Uani 1 1 d . . . . .
H35A H 0.0152 0.1513 0.7360 0.078 Uiso 1 1 calc GR . . . .
H35B H -0.0279 0.1377 0.6495 0.078 Uiso 1 1 calc GR . . . .
H35C H -0.0039 0.2140 0.6791 0.078 Uiso 1 1 calc GR . . . .
C36 C 0.1512(3) 0.0648(2) 0.6716(3) 0.0527(11) Uani 1 1 d . . . . .
H36A H 0.2107 0.0511 0.6551 0.079 Uiso 1 1 calc GR . . . .
H36B H 0.0921 0.0465 0.6375 0.079 Uiso 1 1 calc GR . . . .
H36C H 0.1550 0.0470 0.7216 0.079 Uiso 1 1 calc GR . . . .
C37B C -0.2388(14) 0.3314(10) 0.9544(11) 0.126(6) Uiso 0.5 1 d . . P A 2
H37A H -0.2790 0.2997 0.9761 0.189 Uiso 0.5 1 calc GR . P A 2
H37B H -0.1756 0.3097 0.9528 0.189 Uiso 0.5 1 calc GR . P A 2
H37C H -0.2747 0.3434 0.9040 0.189 Uiso 0.5 1 calc GR . P A 2
C38A C -0.2383(14) 0.4029(9) 0.9364(12) 0.149(6) Uiso 0.5 1 d D . P B 1
H38C H -0.2190 0.4104 0.8889 0.178 Uiso 0.5 1 calc R . P B 1
H38D H -0.3116 0.4029 0.9275 0.178 Uiso 0.5 1 calc R . P B 1
C40B C -0.2863(16) 0.4976(12) 1.0451(12) 0.147(6) Uiso 0.5 1 d D . P A 2
H40A H -0.2542 0.5356 1.0242 0.177 Uiso 0.5 1 calc R . P A 2
H40B H -0.2456 0.4843 1.0943 0.177 Uiso 0.5 1 calc R . P A 2
C41B C -0.4017(13) 0.5136(12) 1.0461(12) 0.151(7) Uiso 0.5 1 d D . P A 2
H41A H -0.4451 0.4987 0.9992 0.227 Uiso 0.5 1 calc GR . P A 2
H41B H -0.4101 0.5628 1.0524 0.227 Uiso 0.5 1 calc GR . P A 2
H41C H -0.4192 0.4890 1.0873 0.227 Uiso 0.5 1 calc GR . P A 2
C37A C -0.1931(12) 0.3349(8) 0.9743(9) 0.097(4) Uiso 0.5 1 d D . P B 1
H37D H -0.2114 0.2970 0.9394 0.146 Uiso 0.5 1 calc GR . P B 1
H37E H -0.2189 0.3264 1.0184 0.146 Uiso 0.5 1 calc GR . P B 1
H37F H -0.1206 0.3389 0.9888 0.146 Uiso 0.5 1 calc GR . P B 1
C40A C -0.2461(17) 0.4602(17) 1.0499(14) 0.194(8) Uiso 0.5 1 d D . P B 1
H40C H -0.2023 0.4831 1.0929 0.233 Uiso 0.5 1 calc R . P B 1
H40D H -0.2523 0.4122 1.0651 0.233 Uiso 0.5 1 calc R . P B 1
C41A C -0.3500(18) 0.4923(12) 1.0424(13) 0.159(7) Uiso 0.5 1 d D . P B 1
H41D H -0.3560 0.5331 1.0111 0.238 Uiso 0.5 1 calc GR . P B 1
H41E H -0.3588 0.5049 1.0916 0.238 Uiso 0.5 1 calc GR . P B 1
H41F H -0.4011 0.4591 1.0198 0.238 Uiso 0.5 1 calc GR . P B 1
C39B C -0.3132(15) 0.4350(11) 0.9900(12) 0.152(5) Uiso 0.5 1 d . . P A 2
H39A H -0.3661 0.4064 1.0024 0.182 Uiso 0.5 1 calc R . P A 2
H39B H -0.3346 0.4505 0.9379 0.182 Uiso 0.5 1 calc R . P A 2
C39A C -0.1914(17) 0.4576(14) 0.9948(13) 0.182(6) Uiso 0.5 1 d D . P B 1
H39C H -0.1215 0.4456 1.0173 0.219 Uiso 0.5 1 calc R . P B 1
H39D H -0.1927 0.5028 0.9707 0.219 Uiso 0.5 1 calc R . P B 1
C38B C -0.2184(19) 0.3979(15) 1.0030(17) 0.194(7) Uiso 0.5 1 d . . P A 2
H38A H -0.1952 0.3861 1.0561 0.233 Uiso 0.5 1 calc R . P A 2
H38B H -0.1670 0.4263 0.9881 0.233 Uiso 0.5 1 calc R . P A 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
Co1 Cl3 2.4069(10) . ?
Co1 P1 2.2055(12) . ?
Co1 P2 2.1949(12) . ?
Co1 Si1 2.1748(11) . ?
Co1 Si2 2.1844(12) . ?
Cl1 Si1 2.1640(14) . ?
Cl2 Si2 2.1611(14) . ?
P1 C31 1.830(4) . ?
P1 C32 1.827(4) . ?
P1 C33 1.823(4) . ?
P2 C34 1.821(4) . ?
P2 C35 1.831(4) . ?
P2 C36 1.823(4) . ?
Si1 N1 1.913(3) . ?
Si1 N2 1.882(3) . ?
Si1 C5 2.346(4) . ?
Si2 N3 1.908(3) . ?
Si2 N4 1.896(3) . ?
Si2 C20 2.352(4) . ?
N1 C1 1.481(5) . ?
N1 C5 1.323(5) . ?
N2 C5 1.336(5) . ?
N2 C12 1.491(5) . ?
N3 C16 1.492(5) . ?
N3 C20 1.324(5) . ?
N4 C20 1.351(4) . ?
N4 C27 1.486(5) . ?
C1 C2 1.519(6) . ?
C1 C3 1.528(6) . ?
C1 C4 1.510(5) . ?
C5 C6 1.505(5) . ?
C6 C7 1.387(5) . ?
C6 C11 1.372(6) . ?
C7 C8 1.397(6) . ?
C8 C9 1.374(6) . ?
C9 C10 1.387(6) . ?
C10 C11 1.387(5) . ?
C12 C13 1.535(6) . ?
C12 C14 1.529(6) . ?
C12 C15 1.514(5) . ?
C16 C17 1.527(6) . ?
C16 C18 1.519(6) . ?
C16 C19 1.502(6) . ?
C20 C21 1.494(5) . ?
C21 C22 1.387(5) . ?
C21 C26 1.386(5) . ?
C22 C23 1.387(6) . ?
C23 C24 1.382(6) . ?
C24 C25 1.371(6) . ?
C25 C26 1.391(6) . ?
C27 C28 1.528(6) . ?
C27 C29 1.524(5) . ?
C27 C30 1.524(5) . ?
C37B C38B 1.57(3) . ?
C38A C37A 1.566(16) . ?
C38A C39A 1.55(3) . ?
C40B C41B 1.633(17) . ?
C40B C39B 1.58(3) . ?
C40A C41A 1.547(17) . ?
C40A C39A 1.406(17) . ?
C39B C38B 1.47(3) . ?

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
P1 Co1 Cl3 84.12(4) . . ?
P2 Co1 Cl3 83.96(4) . . ?
P2 Co1 P1 168.07(5) . . ?
Si1 Co1 Cl3 115.88(4) . . ?
Si1 Co1 P1 91.00(4) . . ?
Si1 Co1 P2 93.66(4) . . ?
Si1 Co1 Si2 129.40(5) . . ?
Si2 Co1 Cl3 114.71(4) . . ?
Si2 Co1 P1 94.01(4) . . ?
Si2 Co1 P2 91.51(4) . . ?
C31 P1 Co1 117.46(14) . . ?
C32 P1 Co1 115.64(15) . . ?
C32 P1 C31 98.4(2) . . ?
C33 P1 Co1 121.74(15) . . ?
C33 P1 C31 100.9(2) . . ?
C33 P1 C32 98.7(2) . . ?
C34 P2 Co1 122.80(14) . . ?
C34 P2 C35 99.0(2) . . ?
C34 P2 C36 101.1(2) . . ?
C35 P2 Co1 114.86(14) . . ?
C36 P2 Co1 116.38(16) . . ?
C36 P2 C35 98.7(2) . . ?
Co1 Si1 C5 142.35(10) . . ?
Cl1 Si1 Co1 122.78(5) . . ?
Cl1 Si1 C5 94.85(10) . . ?
N1 Si1 Co1 130.09(10) . . ?
N1 Si1 Cl1 93.97(11) . . ?
N1 Si1 C5 34.33(13) . . ?
N2 Si1 Co1 130.74(11) . . ?
N2 Si1 Cl1 94.78(10) . . ?
N2 Si1 N1 69.03(13) . . ?
N2 Si1 C5 34.70(13) . . ?
Co1 Si2 C20 141.62(10) . . ?
Cl2 Si2 Co1 121.97(5) . . ?
Cl2 Si2 C20 96.31(10) . . ?
N3 Si2 Co1 128.91(10) . . ?
N3 Si2 Cl2 94.83(10) . . ?
N3 Si2 C20 34.25(12) . . ?
N4 Si2 Co1 131.51(10) . . ?
N4 Si2 Cl2 95.49(10) . . ?
N4 Si2 N3 69.31(13) . . ?
N4 Si2 C20 35.06(12) . . ?
C1 N1 Si1 137.4(2) . . ?
C5 N1 Si1 91.1(2) . . ?
C5 N1 C1 131.2(3) . . ?
C5 N2 Si1 92.0(2) . . ?
C5 N2 C12 128.3(3) . . ?
C12 N2 Si1 135.1(2) . . ?
C16 N3 Si2 138.1(2) . . ?
C20 N3 Si2 91.6(2) . . ?
C20 N3 C16 130.3(3) . . ?
C20 N4 Si2 91.2(2) . . ?
C20 N4 C27 127.1(3) . . ?
C27 N4 Si2 136.3(2) . . ?
N1 C1 C2 113.2(3) . . ?
N1 C1 C3 108.7(3) . . ?
N1 C1 C4 107.1(3) . . ?
C2 C1 C3 109.6(4) . . ?
C4 C1 C2 109.8(4) . . ?
C4 C1 C3 108.3(4) . . ?
N1 C5 Si1 54.61(18) . . ?
N1 C5 N2 107.9(3) . . ?
N1 C5 C6 126.7(3) . . ?
N2 C5 Si1 53.29(17) . . ?
N2 C5 C6 125.3(3) . . ?
C6 C5 Si1 177.4(3) . . ?
C7 C6 C5 121.1(4) . . ?
C11 C6 C5 118.9(3) . . ?
C11 C6 C7 120.0(4) . . ?
C6 C7 C8 119.6(4) . . ?
C9 C8 C7 120.0(4) . . ?
C8 C9 C10 120.1(4) . . ?
C9 C10 C11 119.8(4) . . ?
C6 C11 C10 120.4(4) . . ?
N2 C12 C13 110.1(3) . . ?
N2 C12 C14 112.8(3) . . ?
N2 C12 C15 106.0(3) . . ?
C14 C12 C13 109.3(3) . . ?
C15 C12 C13 109.2(3) . . ?
C15 C12 C14 109.3(3) . . ?
N3 C16 C17 107.1(3) . . ?
N3 C16 C18 112.8(3) . . ?
N3 C16 C19 107.2(3) . . ?
C18 C16 C17 111.4(4) . . ?
C19 C16 C17 109.8(4) . . ?
C19 C16 C18 108.4(4) . . ?
N3 C20 Si2 54.18(18) . . ?
N3 C20 N4 107.9(3) . . ?
N3 C20 C21 126.8(3) . . ?
N4 C20 Si2 53.70(18) . . ?
N4 C20 C21 125.1(3) . . ?
C21 C20 Si2 175.9(3) . . ?
C22 C21 C20 118.5(3) . . ?
C26 C21 C20 121.3(3) . . ?
C26 C21 C22 120.0(4) . . ?
C21 C22 C23 119.6(4) . . ?
C24 C23 C22 120.1(4) . . ?
C25 C24 C23 120.5(4) . . ?
C24 C25 C26 119.9(4) . . ?
C21 C26 C25 119.9(4) . . ?
N4 C27 C28 110.5(3) . . ?
N4 C27 C29 112.4(3) . . ?
N4 C27 C30 105.8(3) . . ?
C29 C27 C28 109.7(3) . . ?
C29 C27 C30 109.7(3) . . ?
C30 C27 C28 108.6(3) . . ?
C39A C38A C37A 102.4(17) . . ?
C39B C40B C41B 94.1(16) . . ?
C39A C40A C41A 127(2) . . ?
C38B C39B C40B 102.0(18) . . ?
C40A C39A C38A 109(2) . . ?
C39B C38B C37B 106(2) . . ?

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
Co1 Si1 N2 C5 126.27(19) . . . . ?
Co1 Si1 N2 C12 -77.5(4) . . . . ?
Co1 Si2 N4 C20 124.15(19) . . . . ?
Co1 Si2 N4 C27 -82.0(4) . . . . ?
Cl1 Si1 N2 C5 -91.6(2) . . . . ?
Cl1 Si1 N2 C12 64.6(3) . . . . ?
Cl2 Si2 N4 C20 -93.2(2) . . . . ?
Cl2 Si2 N4 C27 60.6(3) . . . . ?
Si1 N1 C1 C2 -142.6(3) . . . . ?
Si1 N1 C1 C3 95.4(4) . . . . ?
Si1 N1 C1 C4 -21.4(5) . . . . ?
Si1 N1 C5 N2 1.1(3) . . . . ?
Si1 N1 C5 C6 177.2(3) . . . . ?
Si1 N2 C5 N1 -1.2(3) . . . . ?
Si1 N2 C5 C6 -177.3(3) . . . . ?
Si1 N2 C12 C13 -94.3(4) . . . . ?
Si1 N2 C12 C14 143.3(3) . . . . ?
Si1 N2 C12 C15 23.7(5) . . . . ?
Si2 N3 C16 C17 94.1(4) . . . . ?
Si2 N3 C16 C18 -143.0(4) . . . . ?
Si2 N3 C16 C19 -23.7(5) . . . . ?
Si2 N3 C20 N4 -0.1(3) . . . . ?
Si2 N3 C20 C21 175.0(3) . . . . ?
Si2 N4 C20 N3 0.1(3) . . . . ?
Si2 N4 C20 C21 -175.2(3) . . . . ?
Si2 N4 C27 C28 -90.3(4) . . . . ?
Si2 N4 C27 C29 146.7(3) . . . . ?
Si2 N4 C27 C30 27.1(5) . . . . ?
N1 Si1 N2 C5 0.8(2) . . . . ?
N1 Si1 N2 C12 157.0(4) . . . . ?
N1 C5 C6 C7 83.1(5) . . . . ?
N1 C5 C6 C11 -97.7(5) . . . . ?
N2 C5 C6 C7 -101.4(5) . . . . ?
N2 C5 C6 C11 77.7(5) . . . . ?
N3 Si2 N4 C20 -0.1(2) . . . . ?
N3 Si2 N4 C27 153.7(4) . . . . ?
N3 C20 C21 C22 -95.1(5) . . . . ?
N3 C20 C21 C26 81.4(5) . . . . ?
N4 C20 C21 C22 79.2(5) . . . . ?
N4 C20 C21 C26 -104.2(4) . . . . ?
C1 N1 C5 Si1 174.5(5) . . . . ?
C1 N1 C5 N2 175.6(4) . . . . ?
C1 N1 C5 C6 -8.3(6) . . . . ?
C5 Si1 N2 C12 156.2(5) . . . . ?
C5 N1 C1 C2 45.6(6) . . . . ?
C5 N1 C1 C3 -76.4(5) . . . . ?
C5 N1 C1 C4 166.8(4) . . . . ?
C5 N2 C12 C13 54.7(5) . . . . ?
C5 N2 C12 C14 -67.7(5) . . . . ?
C5 N2 C12 C15 172.7(4) . . . . ?
C5 C6 C7 C8 178.9(4) . . . . ?
C5 C6 C11 C10 -178.9(4) . . . . ?
C6 C7 C8 C9 -0.4(6) . . . . ?
C7 C6 C11 C10 0.2(6) . . . . ?
C7 C8 C9 C10 1.1(6) . . . . ?
C8 C9 C10 C11 -1.1(6) . . . . ?
C9 C10 C11 C6 0.5(6) . . . . ?
C11 C6 C7 C8 -0.2(6) . . . . ?
C12 N2 C5 Si1 -158.7(4) . . . . ?
C12 N2 C5 N1 -159.9(3) . . . . ?
C12 N2 C5 C6 23.9(6) . . . . ?
C16 N3 C20 Si2 178.6(4) . . . . ?
C16 N3 C20 N4 178.5(3) . . . . ?
C16 N3 C20 C21 -6.4(6) . . . . ?
C20 Si2 N4 C27 153.8(5) . . . . ?
C20 N3 C16 C17 -83.8(5) . . . . ?
C20 N3 C16 C18 39.1(6) . . . . ?
C20 N3 C16 C19 158.4(4) . . . . ?
C20 N4 C27 C28 56.0(5) . . . . ?
C20 N4 C27 C29 -66.9(5) . . . . ?
C20 N4 C27 C30 173.5(3) . . . . ?
C20 C21 C22 C23 176.9(3) . . . . ?
C20 C21 C26 C25 -176.3(3) . . . . ?
C21 C22 C23 C24 -0.5(6) . . . . ?
C22 C21 C26 C25 0.2(5) . . . . ?
C22 C23 C24 C25 0.2(6) . . . . ?
C23 C24 C25 C26 0.3(6) . . . . ?
C24 C25 C26 C21 -0.5(6) . . . . ?
C26 C21 C22 C23 0.3(5) . . . . ?
C27 N4 C20 Si2 -157.5(4) . . . . ?
C27 N4 C20 N3 -157.4(3) . . . . ?
C27 N4 C20 C21 27.3(5) . . . . ?
C40B C39B C38B C37B 176.3(18) . . . . ?
C41B C40B C39B C38B -160.1(18) . . . . ?
C37A C38A C39A C40A -81(2) . . . . ?
C41A C40A C39A C38A -74(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
