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

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

data_210315a
_database_code_depnum_ccdc_archive 'CCDC 2076354'
loop_
_audit_author_name
_audit_author_address
'Wei Huang'
;Shandong University
China
;
_audit_update_record             
;
2021-04-09 deposited with the CCDC.	2023-04-17 downloaded from the CCDC.
;
_audit_creation_date             2021-03-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C39 H63 Cl3 Co N4 P Si3'
_chemical_formula_sum            'C39 H63 Cl3 Co N4 P Si3'
_chemical_formula_weight         868.45
_chemical_melting_point          ?
_chemical_oxdiff_formula         CoC
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.27681(17)
_cell_length_b                   19.2189(3)
_cell_length_c                   15.42856(19)
_cell_angle_alpha                90
_cell_angle_beta                 95.7072(11)
_cell_angle_gamma                90
_cell_volume                     4507.43(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3963
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.0150
_cell_measurement_theta_min      4.8400
_shelx_estimated_absorpt_T_max   0.587
_shelx_estimated_absorpt_T_min   0.587
_exptl_absorpt_coefficient_mu    5.959
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28041
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.583
_diffrn_reflns_theta_min         3.685
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     93.00 164.00   1.00    0.85    --  106.49  38.00  -4.00   71
  2  ω    101.00 178.00   1.00    0.85    --  106.49  19.00 120.00   77
  3  ω     47.00  73.00   1.00    0.10    --   48.45  38.00  -4.00   26
  4  ω     34.00 105.00   1.00    0.85    --  106.49 -77.00  60.00   71
  5  ω     34.00  65.00   1.00    0.85    --  106.49 -57.00  90.00   31
  6  ω     34.00  66.00   1.00    0.85    --  106.49 -57.00 120.00   32
  7  ω     90.00 105.00   1.00    0.85    --  106.49 -77.00-120.00   15
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0545559000
_diffrn_orient_matrix_UB_12      0.0053759000
_diffrn_orient_matrix_UB_13      0.0892764000
_diffrn_orient_matrix_UB_21      -0.0732412000
_diffrn_orient_matrix_UB_22      -0.0381157000
_diffrn_orient_matrix_UB_23      0.0426315000
_diffrn_orient_matrix_UB_31      0.0439032000
_diffrn_orient_matrix_UB_32      -0.0703208000
_diffrn_orient_matrix_UB_33      -0.0163934000
_diffrn_oxdiff_digest_frames     
;
014bd8f8d260f17071027ccc47cf51b6f4000293117
;
_diffrn_oxdiff_digest_hkl        
;
01d8cff3ff9cee1ff4529a37ace71e7c2c9262
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7590
_reflns_number_total             8920
_reflns_odcompleteness_completeness 62.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.596
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         8920
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      1.061
_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)+(0.0526P)²+2.7040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1120
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C36(H36), C2(H2), C35(H35), C3(H3), C34(H34), C32(H32), C21(H21), C6(H6),
 C17(H17), C33(H33), C4(H4), C20(H20), C5(H5), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C9(H9A,H9B,H9C), C24(H24A,H24B,H24C), C7(H7A,H7B,H7C),
 C28(H28A,H28B,H28C), C13(H13A,H13B,H13C), C23(H23A,H23B,H23C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C11(H11A,H11B,H11C), C38(H38A,H38B,H38C), C37(H37A,
 H37B,H37C), C14(H14A,H14B,H14C), C22(H22A,H22B,H22C), C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.23607(2) 0.69854(2) 0.51822(3) 0.02139(11) Uani 1 1 d . . . . .
Cl2 Cl 0.44892(4) 0.73273(4) 0.42251(4) 0.02793(14) Uani 1 1 d . . . . .
Si3 Si 0.22415(4) 0.61898(4) 0.61773(4) 0.02141(15) Uani 1 1 d . . . . .
Cl1 Cl 0.16225(4) 0.79622(4) 0.56379(4) 0.03153(15) Uani 1 1 d . . . . .
Si2 Si 0.30892(4) 0.73580(3) 0.41259(4) 0.01847(14) Uani 1 1 d . . . . .
Cl3 Cl 0.14491(5) 0.52857(4) 0.58941(5) 0.03606(16) Uani 1 1 d . . . . .
Si1 Si 0.35513(4) 0.73095(4) 0.61506(4) 0.02271(15) Uani 1 1 d . . . . .
H1B H 0.329(2) 0.7186(16) 0.701(2) 0.027 Uiso 1 1 d R . . . .
H1A H 0.431(2) 0.6923(15) 0.606(2) 0.027 Uiso 1 1 d R . . . .
P1 P 0.11183(4) 0.66976(5) 0.43677(5) 0.03321(18) Uani 1 1 d . . . . .
N1 N 0.29280(13) 0.70811(11) 0.29668(14) 0.0211(4) Uani 1 1 d . . . . .
N2 N 0.29028(13) 0.81369(11) 0.34119(14) 0.0218(4) Uani 1 1 d . . . . .
C15 C 0.28633(16) 0.59518(13) 0.75664(16) 0.0221(5) Uani 1 1 d . . . . .
N4 N 0.21036(13) 0.62761(11) 0.73553(13) 0.0227(4) Uani 1 1 d . . . . .
N3 N 0.31595(13) 0.57502(11) 0.68157(13) 0.0222(4) Uani 1 1 d . . . . .
C30 C 0.28006(14) 0.77408(13) 0.27047(16) 0.0204(5) Uani 1 1 d . . . . .
C31 C 0.25462(16) 0.79852(14) 0.17956(16) 0.0231(5) Uani 1 1 d . . . . .
C36 C 0.16582(17) 0.79938(15) 0.14795(17) 0.0280(6) Uani 1 1 d . . . . .
H36 H 0.1239 0.7829 0.1826 0.034 Uiso 1 1 calc R . . . .
C8 C 0.38848(17) 0.52645(14) 0.66619(18) 0.0272(6) Uani 1 1 d . . . . .
C1 C 0.39904(17) 0.82337(15) 0.62924(17) 0.0279(6) Uani 1 1 d . . . . .
C2 C 0.47800(18) 0.84445(15) 0.59852(19) 0.0320(6) Uani 1 1 d . . . . .
H2 H 0.5085 0.8134 0.5664 0.038 Uiso 1 1 calc R . . . .
C35 C 0.13974(19) 0.82464(17) 0.0654(2) 0.0374(7) Uani 1 1 d . . . . .
H35 H 0.0805 0.8253 0.0447 0.045 Uiso 1 1 calc R . . . .
C3 C 0.5119(2) 0.91077(17) 0.6150(2) 0.0440(8) Uani 1 1 d . . . . .
H3 H 0.5639 0.9239 0.5927 0.053 Uiso 1 1 calc R . . . .
C16 C 0.33285(17) 0.58508(15) 0.84498(17) 0.0273(6) Uani 1 1 d . . . . .
C29 C 0.27512(17) 0.88968(13) 0.35175(17) 0.0256(5) Uani 1 1 d . . . . .
C25 C 0.31955(18) 0.64740(14) 0.24537(18) 0.0292(6) Uani 1 1 d . . . . .
C34 C 0.2013(2) 0.84859(19) 0.0145(2) 0.0429(8) Uani 1 1 d . . . . .
H34 H 0.1838 0.8650 -0.0413 0.052 Uiso 1 1 calc R . . . .
C10 C 0.47617(19) 0.55010(18) 0.7134(2) 0.0395(7) Uani 1 1 d . . . . .
H10A H 0.4855 0.5983 0.7010 0.059 Uiso 1 1 calc GR . . . .
H10B H 0.5230 0.5229 0.6938 0.059 Uiso 1 1 calc GR . . . .
H10C H 0.4750 0.5440 0.7750 0.059 Uiso 1 1 calc GR . . . .
C9 C 0.3655(2) 0.45283(16) 0.6946(2) 0.0384(7) Uani 1 1 d . . . . .
H9A H 0.3669 0.4512 0.7569 0.058 Uiso 1 1 calc GR . . . .
H9B H 0.4074 0.4204 0.6757 0.058 Uiso 1 1 calc GR . . . .
H9C H 0.3076 0.4408 0.6690 0.058 Uiso 1 1 calc GR . . . .
C24 C 0.2490(2) 0.62964(16) 0.1717(2) 0.0364(7) Uani 1 1 d . . . . .
H24A H 0.1945 0.6200 0.1955 0.055 Uiso 1 1 calc GR . . . .
H24B H 0.2668 0.5895 0.1410 0.055 Uiso 1 1 calc GR . . . .
H24C H 0.2411 0.6683 0.1323 0.055 Uiso 1 1 calc GR . . . .
C32 C 0.31633(18) 0.82328(18) 0.1273(2) 0.0377(7) Uani 1 1 d . . . . .
H32 H 0.3758 0.8228 0.1474 0.045 Uiso 1 1 calc R . . . .
C12 C 0.15187(17) 0.66702(15) 0.78963(18) 0.0289(6) Uani 1 1 d . . . . .
C21 C 0.38940(19) 0.63568(17) 0.8812(2) 0.0366(7) Uani 1 1 d . . . . .
H21 H 0.3967 0.6770 0.8514 0.044 Uiso 1 1 calc R . . . .
C6 C 0.3573(2) 0.87121(17) 0.6790(2) 0.0372(7) Uani 1 1 d . . . . .
H6 H 0.3049 0.8588 0.7008 0.045 Uiso 1 1 calc R . . . .
C17 C 0.32135(19) 0.52307(17) 0.8896(2) 0.0367(7) Uani 1 1 d . . . . .
H17 H 0.2824 0.4893 0.8661 0.044 Uiso 1 1 calc R . . . .
C7 C 0.3949(2) 0.52691(17) 0.56765(19) 0.0360(7) Uani 1 1 d . . . . .
H7A H 0.3394 0.5133 0.5378 0.054 Uiso 1 1 calc GR . . . .
H7B H 0.4397 0.4948 0.5539 0.054 Uiso 1 1 calc GR . . . .
H7C H 0.4097 0.5729 0.5496 0.054 Uiso 1 1 calc GR . . . .
C33 C 0.2895(2) 0.8487(2) 0.0451(2) 0.0491(9) Uani 1 1 d . . . . .
H33 H 0.3309 0.8658 0.0102 0.059 Uiso 1 1 calc R . . . .
C28 C 0.1769(2) 0.90540(17) 0.3411(2) 0.0367(7) Uani 1 1 d . . . . .
H28A H 0.1523 0.8911 0.2843 0.055 Uiso 1 1 calc GR . . . .
H28B H 0.1679 0.9545 0.3479 0.055 Uiso 1 1 calc GR . . . .
H28C H 0.1486 0.8806 0.3846 0.055 Uiso 1 1 calc GR . . . .
C4 C 0.4692(2) 0.95696(18) 0.6640(3) 0.0534(10) Uani 1 1 d . . . . .
H4 H 0.4918 1.0014 0.6749 0.064 Uiso 1 1 calc R . . . .
C20 C 0.4353(2) 0.6244(2) 0.9624(2) 0.0507(9) Uani 1 1 d . . . . .
H20 H 0.4729 0.6585 0.9875 0.061 Uiso 1 1 calc R . . . .
C13 C 0.1455(2) 0.63274(18) 0.8779(2) 0.0394(7) Uani 1 1 d . . . . .
H13A H 0.1341 0.5839 0.8699 0.059 Uiso 1 1 calc GR . . . .
H13B H 0.0986 0.6537 0.9057 0.059 Uiso 1 1 calc GR . . . .
H13C H 0.2000 0.6390 0.9139 0.059 Uiso 1 1 calc GR . . . .
C23 C 0.3331(2) 0.58684(16) 0.3094(2) 0.0383(7) Uani 1 1 d . . . . .
H23A H 0.3806 0.5975 0.3529 0.057 Uiso 1 1 calc GR . . . .
H23B H 0.3471 0.5455 0.2786 0.057 Uiso 1 1 calc GR . . . .
H23C H 0.2802 0.5794 0.3368 0.057 Uiso 1 1 calc GR . . . .
C26 C 0.3135(2) 0.90731(16) 0.4439(2) 0.0421(8) Uani 1 1 d . . . . .
H26A H 0.2852 0.8797 0.4847 0.063 Uiso 1 1 calc GR . . . .
H26B H 0.3042 0.9558 0.4550 0.063 Uiso 1 1 calc GR . . . .
H26C H 0.3755 0.8976 0.4499 0.063 Uiso 1 1 calc GR . . . .
C27 C 0.3216(3) 0.93180(17) 0.2863(3) 0.0497(9) Uani 1 1 d . . . . .
H27A H 0.3820 0.9175 0.2885 0.075 Uiso 1 1 calc GR . . . .
H27B H 0.3189 0.9804 0.3003 0.075 Uiso 1 1 calc GR . . . .
H27C H 0.2932 0.9241 0.2287 0.075 Uiso 1 1 calc GR . . . .
C5 C 0.3919(2) 0.93681(18) 0.6969(3) 0.0506(9) Uani 1 1 d . . . . .
H5 H 0.3632 0.9675 0.7312 0.061 Uiso 1 1 calc R . . . .
C11 C 0.1836(2) 0.74205(17) 0.8024(2) 0.0420(7) Uani 1 1 d . . . . .
H11A H 0.2413 0.7423 0.8332 0.063 Uiso 1 1 calc GR . . . .
H11B H 0.1438 0.7672 0.8353 0.063 Uiso 1 1 calc GR . . . .
H11C H 0.1855 0.7638 0.7466 0.063 Uiso 1 1 calc GR . . . .
C38 C 0.01264(18) 0.6662(2) 0.4936(2) 0.0475(9) Uani 1 1 d . . . . .
H38A H 0.0142 0.6253 0.5294 0.071 Uiso 1 1 calc GR . . . .
H38B H -0.0382 0.6646 0.4517 0.071 Uiso 1 1 calc GR . . . .
H38C H 0.0098 0.7068 0.5295 0.071 Uiso 1 1 calc GR . . . .
C37 C 0.0738(2) 0.7304(2) 0.3501(2) 0.0546(10) Uani 1 1 d . . . . .
H37A H 0.0679 0.7759 0.3743 0.082 Uiso 1 1 calc GR . . . .
H37B H 0.0178 0.7152 0.3228 0.082 Uiso 1 1 calc GR . . . .
H37C H 0.1156 0.7318 0.3077 0.082 Uiso 1 1 calc GR . . . .
C18 C 0.3694(2) 0.5129(2) 0.9701(2) 0.0497(9) Uani 1 1 d . . . . .
H18 H 0.3632 0.4715 1.0000 0.060 Uiso 1 1 calc R . . . .
C14 C 0.06172(19) 0.6666(2) 0.7368(2) 0.0415(8) Uani 1 1 d . . . . .
H14A H 0.0655 0.6903 0.6826 0.062 Uiso 1 1 calc GR . . . .
H14B H 0.0198 0.6899 0.7692 0.062 Uiso 1 1 calc GR . . . .
H14C H 0.0433 0.6194 0.7257 0.062 Uiso 1 1 calc GR . . . .
C19 C 0.4250(2) 0.5626(2) 1.0053(2) 0.0540(10) Uani 1 1 d . . . . .
H19 H 0.4565 0.5548 1.0592 0.065 Uiso 1 1 calc R . . . .
C22 C 0.4067(2) 0.66274(19) 0.2078(2) 0.0431(8) Uani 1 1 d . . . . .
H22A H 0.3970 0.6964 0.1619 0.065 Uiso 1 1 calc GR . . . .
H22B H 0.4292 0.6206 0.1850 0.065 Uiso 1 1 calc GR . . . .
H22C H 0.4483 0.6808 0.2528 0.065 Uiso 1 1 calc GR . . . .
C39 C 0.1036(2) 0.5878(2) 0.3768(2) 0.0545(10) Uani 1 1 d . . . . .
H39A H 0.1376 0.5907 0.3278 0.082 Uiso 1 1 calc GR . . . .
H39B H 0.0432 0.5789 0.3566 0.082 Uiso 1 1 calc GR . . . .
H39C H 0.1257 0.5506 0.4144 0.082 Uiso 1 1 calc GR . . . .
H H 0.280(3) 0.642(2) 0.494(3) 0.056(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 Si3 2.1872(8) . ?
Co1 Cl1 2.3342(8) . ?
Co1 Si2 2.1835(7) . ?
Co1 Si1 2.3212(8) . ?
Co1 P1 2.2390(8) . ?
Cl2 Si2 2.1299(8) . ?
Si3 Cl3 2.1379(9) . ?
Si3 C15 2.302(3) . ?
Si3 N4 1.858(2) . ?
Si3 N3 1.837(2) . ?
Si2 N1 1.859(2) . ?
Si2 N2 1.864(2) . ?
Si2 C30 2.313(3) . ?
Si1 C1 1.904(3) . ?
P1 C38 1.826(3) . ?
P1 C37 1.824(3) . ?
P1 C39 1.825(4) . ?
N1 C30 1.339(3) . ?
N1 C25 1.490(3) . ?
N2 C30 1.327(3) . ?
N2 C29 1.490(3) . ?
C15 N4 1.329(3) . ?
C15 N3 1.342(3) . ?
C15 C16 1.486(4) . ?
N4 C12 1.489(3) . ?
N3 C8 1.486(3) . ?
C30 C31 1.494(3) . ?
C31 C36 1.395(4) . ?
C31 C32 1.385(4) . ?
C36 C35 1.384(4) . ?
C8 C10 1.529(4) . ?
C8 C9 1.532(4) . ?
C8 C7 1.533(4) . ?
C1 C2 1.399(4) . ?
C1 C6 1.392(4) . ?
C2 C3 1.390(4) . ?
C35 C34 1.364(5) . ?
C3 C4 1.372(5) . ?
C16 C21 1.381(4) . ?
C16 C17 1.396(4) . ?
C29 C28 1.523(4) . ?
C29 C26 1.521(4) . ?
C29 C27 1.524(4) . ?
C25 C24 1.526(4) . ?
C25 C23 1.527(4) . ?
C25 C22 1.533(4) . ?
C34 C33 1.382(5) . ?
C32 C33 1.383(4) . ?
C12 C13 1.525(4) . ?
C12 C11 1.528(4) . ?
C12 C14 1.529(4) . ?
C21 C20 1.390(5) . ?
C6 C5 1.384(5) . ?
C17 C18 1.391(5) . ?
C4 C5 1.386(6) . ?
C20 C19 1.378(6) . ?
C18 C19 1.356(6) . ?

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
Si3 Co1 Cl1 105.93(3) . . ?
Si3 Co1 Si1 81.39(3) . . ?
Si3 Co1 P1 95.52(3) . . ?
Si2 Co1 Si3 146.86(3) . . ?
Si2 Co1 Cl1 104.98(3) . . ?
Si2 Co1 Si1 88.14(3) . . ?
Si2 Co1 P1 97.39(3) . . ?
Si1 Co1 Cl1 87.79(3) . . ?
P1 Co1 Cl1 87.70(3) . . ?
P1 Co1 Si1 173.61(3) . . ?
Co1 Si3 C15 137.47(7) . . ?
Cl3 Si3 Co1 120.65(4) . . ?
Cl3 Si3 C15 101.63(7) . . ?
N4 Si3 Co1 130.53(8) . . ?
N4 Si3 Cl3 98.94(8) . . ?
N4 Si3 C15 35.25(9) . . ?
N3 Si3 Co1 125.83(7) . . ?
N3 Si3 Cl3 97.02(8) . . ?
N3 Si3 C15 35.64(9) . . ?
N3 Si3 N4 70.81(9) . . ?
Co1 Si2 C30 138.46(6) . . ?
Cl2 Si2 Co1 121.33(3) . . ?
Cl2 Si2 C30 99.92(6) . . ?
N1 Si2 Co1 126.56(7) . . ?
N1 Si2 Cl2 95.58(7) . . ?
N1 Si2 N2 70.33(9) . . ?
N1 Si2 C30 35.37(9) . . ?
N2 Si2 Co1 130.19(7) . . ?
N2 Si2 Cl2 99.09(7) . . ?
N2 Si2 C30 34.99(9) . . ?
C1 Si1 Co1 124.68(8) . . ?
C38 P1 Co1 115.95(12) . . ?
C37 P1 Co1 116.37(12) . . ?
C37 P1 C38 99.02(16) . . ?
C37 P1 C39 100.3(2) . . ?
C39 P1 Co1 120.64(13) . . ?
C39 P1 C38 101.10(18) . . ?
C30 N1 Si2 91.19(15) . . ?
C30 N1 C25 128.3(2) . . ?
C25 N1 Si2 135.93(17) . . ?
C30 N2 Si2 91.36(16) . . ?
C30 N2 C29 130.2(2) . . ?
C29 N2 Si2 137.64(17) . . ?
N4 C15 Si3 53.79(12) . . ?
N4 C15 N3 106.6(2) . . ?
N4 C15 C16 127.8(2) . . ?
N3 C15 Si3 52.93(12) . . ?
N3 C15 C16 125.6(2) . . ?
C16 C15 Si3 174.47(19) . . ?
C15 N4 Si3 90.96(15) . . ?
C15 N4 C12 131.2(2) . . ?
C12 N4 Si3 136.60(17) . . ?
C15 N3 Si3 91.43(15) . . ?
C15 N3 C8 129.8(2) . . ?
C8 N3 Si3 138.15(17) . . ?
N1 C30 Si2 53.44(12) . . ?
N1 C30 C31 126.7(2) . . ?
N2 C30 Si2 53.65(13) . . ?
N2 C30 N1 107.1(2) . . ?
N2 C30 C31 126.2(2) . . ?
C31 C30 Si2 175.92(17) . . ?
C36 C31 C30 119.0(2) . . ?
C32 C31 C30 121.8(2) . . ?
C32 C31 C36 119.1(2) . . ?
C35 C36 C31 120.4(3) . . ?
N3 C8 C10 111.7(2) . . ?
N3 C8 C9 109.8(2) . . ?
N3 C8 C7 106.1(2) . . ?
C10 C8 C9 110.7(2) . . ?
C10 C8 C7 109.3(2) . . ?
C9 C8 C7 109.2(2) . . ?
C2 C1 Si1 122.5(2) . . ?
C6 C1 Si1 120.3(2) . . ?
C6 C1 C2 116.9(3) . . ?
C3 C2 C1 121.5(3) . . ?
C34 C35 C36 119.8(3) . . ?
C4 C3 C2 120.3(3) . . ?
C21 C16 C15 120.1(3) . . ?
C21 C16 C17 120.4(3) . . ?
C17 C16 C15 119.5(3) . . ?
N2 C29 C28 110.2(2) . . ?
N2 C29 C26 105.7(2) . . ?
N2 C29 C27 111.1(2) . . ?
C28 C29 C27 110.0(3) . . ?
C26 C29 C28 109.9(2) . . ?
C26 C29 C27 109.8(3) . . ?
N1 C25 C24 111.1(2) . . ?
N1 C25 C23 106.3(2) . . ?
N1 C25 C22 110.2(2) . . ?
C24 C25 C23 110.6(2) . . ?
C24 C25 C22 109.7(3) . . ?
C23 C25 C22 108.9(2) . . ?
C35 C34 C33 120.6(3) . . ?
C33 C32 C31 119.9(3) . . ?
N4 C12 C13 112.1(2) . . ?
N4 C12 C11 110.6(2) . . ?
N4 C12 C14 104.9(2) . . ?
C13 C12 C11 109.9(3) . . ?
C13 C12 C14 109.9(2) . . ?
C11 C12 C14 109.3(3) . . ?
C16 C21 C20 119.6(3) . . ?
C5 C6 C1 121.7(3) . . ?
C18 C17 C16 118.6(3) . . ?
C34 C33 C32 120.2(3) . . ?
C3 C4 C5 119.4(3) . . ?
C19 C20 C21 119.7(3) . . ?
C6 C5 C4 120.2(3) . . ?
C19 C18 C17 120.8(3) . . ?
C18 C19 C20 120.8(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.538
_oxdiff_exptl_absorpt_empirical_full_min 0.657
####################################################################### 
# 
# 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_210319a
_database_code_depnum_ccdc_archive 'CCDC 2079047'
loop_
_audit_author_name
_audit_author_address
'Wei Huang'
;Shandong university
China
;
_audit_update_record             
;
2021-04-21 deposited with the CCDC.	2023-04-17 downloaded from the CCDC.
;
_audit_creation_date             2021-04-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H35 Cl Co P3 Si'
_chemical_formula_sum            'C15 H35 Cl Co P3 Si'
_chemical_formula_weight         430.81
_chemical_melting_point          ?
_chemical_oxdiff_formula         CoC
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'
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           15
_space_group_name_H-M_alt        'I 1 2/c 1'
_space_group_name_Hall           '-I 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   27.1266(7)
_cell_length_b                   12.8624(3)
_cell_length_c                   12.9099(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.062(2)
_cell_angle_gamma                90
_cell_volume                     4501.52(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6134
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.6430
_cell_measurement_theta_min      4.8220
_shelx_estimated_absorpt_T_max   0.449
_shelx_estimated_absorpt_T_min   0.449
_exptl_absorpt_coefficient_mu    9.529
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13144
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.080
_diffrn_reflns_theta_max         67.080
_diffrn_reflns_theta_min         3.260
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     29.00  78.00   1.00    0.80    --   48.45  72.00 128.00   49
  2  ω      2.00  69.00   1.00    0.80    --   48.45 -72.00  -1.00   67
  3  ω    -69.00  11.00   1.00    0.80    --  -48.45  72.00 128.00   80
  4  ω   -120.00 -74.00   1.00    0.80    --  -48.45-125.00  60.00   46
  5  ω   -106.00 -28.00   1.00    0.80    --  -48.45 -72.00  -1.00   78
  6  ω    -81.00 -56.00   1.00    3.99    --  -86.25  72.00 128.00   25
  7  ω   -158.00-133.00   1.00    3.99    --  -86.25 -72.00  -1.00   25
  8  ω     86.00 171.00   1.00    3.99    --  106.49  72.00 128.00   85
  9  ω     94.00 177.00   1.00    3.99    --  106.49  19.00  90.00   83
 10  ω     94.00 171.00   1.00    3.99    --  106.49  19.00-150.00   77
 11  ω     38.00 105.00   1.00    3.99    --  106.49 -77.00  60.00   67
 12  ω     47.00  91.00   1.00    3.99    --  106.49 -72.00  -1.00   44
 13  ω     40.00 101.00   1.00    3.99    --  106.49 -77.00 -60.00   61
 14  ω     34.00 101.00   1.00    3.99    --  106.49 -77.00-120.00   67
 15  ω     36.00 106.00   1.00    3.99    --  106.49 -99.00-150.00   70
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0463950000
_diffrn_orient_matrix_UB_12      0.0425068000
_diffrn_orient_matrix_UB_13      0.0475071000
_diffrn_orient_matrix_UB_21      -0.0551677000
_diffrn_orient_matrix_UB_22      0.0867864000
_diffrn_orient_matrix_UB_23      -0.0300730000
_diffrn_orient_matrix_UB_31      -0.0951344000
_diffrn_orient_matrix_UB_32      -0.0707992000
_diffrn_orient_matrix_UB_33      -0.0083553000
_diffrn_oxdiff_digest_frames     
;
011bd4f28ddb80efc0692d2c7f061aa9ba00030b8e5
;
_diffrn_oxdiff_digest_hkl        
;
01b9aa27e84872630bd5bb4791c0c30bade88a
;
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3525
_reflns_number_total             3996
_reflns_odcompleteness_completeness 98.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.919
_refine_diff_density_min         -1.767
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.859
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3996
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      0.859
_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)+(0.0693P)²+47.3247P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1470
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Co1) = Uanis(P1)
3.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C2(H2), C3(H3), C6(H6)
3.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C11(H11A,H11B,H11C), C15(H15A,H15B,H15C), C13(H13A,H13B,
 H13C), C12(H12A,H12B,H12C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C8(H8A,H8B,
 H8C), C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.37561(2) 0.75409(5) 0.51466(5) 0.02174(18) Uani 1 1 d . . . . .
P3 P 0.37602(4) 0.87350(8) 0.63954(8) 0.0254(3) Uani 1 1 d . . . . .
Si1 Si 0.37240(4) 0.62536(8) 0.62954(8) 0.0234(3) Uani 1 1 d . . . . .
H1A H 0.4120(16) 0.628(3) 0.702(3) 0.028 Uiso 1 1 d R . . . .
H1B H 0.3304(16) 0.629(3) 0.697(3) 0.028 Uiso 1 1 d R . . . .
Cl1 Cl 0.37989(4) 0.86986(8) 0.37280(7) 0.0323(3) Uani 1 1 d . . . . .
P2 P 0.29597(4) 0.74587(8) 0.47607(9) 0.0285(3) Uani 1 1 d . . . . .
P1 P 0.45524(4) 0.73127(8) 0.49619(8) 0.02174(18) Uani 1 1 d . . . . .
C4 C 0.37432(16) 0.2748(4) 0.5249(4) 0.0332(10) Uani 1 1 d . . . . .
H4 H 0.374798 0.205087 0.505811 0.040 Uiso 1 1 calc R . . . .
C5 C 0.36934(16) 0.3511(3) 0.4492(3) 0.0305(9) Uani 1 1 d . . . . .
H5 H 0.366191 0.332882 0.379510 0.037 Uiso 1 1 calc R . . . .
C1 C 0.37324(14) 0.4852(3) 0.5824(3) 0.0240(8) Uani 1 1 d . . . . .
C2 C 0.37779(18) 0.4059(3) 0.6558(3) 0.0341(10) Uani 1 1 d . . . . .
H2 H 0.380429 0.423010 0.725743 0.041 Uiso 1 1 calc R . . . .
C14 C 0.25310(17) 0.6801(5) 0.5593(4) 0.0491(13) Uani 1 1 d . . . . .
H14A H 0.263140 0.609090 0.568812 0.074 Uiso 1 1 calc GR . . . .
H14B H 0.220544 0.682222 0.527695 0.074 Uiso 1 1 calc GR . . . .
H14C H 0.253018 0.714391 0.625379 0.074 Uiso 1 1 calc GR . . . .
C11 C 0.3237(2) 0.8788(4) 0.7255(4) 0.0431(12) Uani 1 1 d . . . . .
H11A H 0.293950 0.892898 0.685362 0.065 Uiso 1 1 calc GR . . . .
H11B H 0.329080 0.932968 0.775826 0.065 Uiso 1 1 calc GR . . . .
H11C H 0.320588 0.813326 0.760394 0.065 Uiso 1 1 calc GR . . . .
C3 C 0.37849(17) 0.3014(4) 0.6265(4) 0.0354(10) Uani 1 1 d . . . . .
H3 H 0.381828 0.249903 0.676836 0.043 Uiso 1 1 calc R . . . .
C15 C 0.2824(2) 0.6782(5) 0.3548(4) 0.0516(14) Uani 1 1 d . . . . .
H15A H 0.300473 0.709720 0.300514 0.077 Uiso 1 1 calc GR . . . .
H15B H 0.247656 0.682685 0.337988 0.077 Uiso 1 1 calc GR . . . .
H15C H 0.291741 0.606542 0.361836 0.077 Uiso 1 1 calc GR . . . .
C13 C 0.26420(18) 0.8691(4) 0.4530(4) 0.0444(12) Uani 1 1 d . . . . .
H13A H 0.264297 0.908471 0.516212 0.067 Uiso 1 1 calc GR . . . .
H13B H 0.230787 0.855935 0.429687 0.067 Uiso 1 1 calc GR . . . .
H13C H 0.280806 0.907748 0.401085 0.067 Uiso 1 1 calc GR . . . .
C6 C 0.36912(15) 0.4553(3) 0.4789(3) 0.0278(9) Uani 1 1 d . . . . .
H6 H 0.366127 0.506374 0.428021 0.033 Uiso 1 1 calc R . . . .
C12 C 0.3789(2) 1.0074(4) 0.5963(4) 0.0419(12) Uani 1 1 d . . . . .
H12A H 0.406560 1.016132 0.552895 0.063 Uiso 1 1 calc GR . . . .
H12B H 0.382498 1.052477 0.655391 0.063 Uiso 1 1 calc GR . . . .
H12C H 0.349039 1.024577 0.557801 0.063 Uiso 1 1 calc GR . . . .
C9 C 0.49328(18) 0.8481(4) 0.4902(4) 0.0464(12) Uani 1 1 d . . . . .
H9A H 0.477521 0.897681 0.444357 0.070 Uiso 1 1 calc GR . . . .
H9B H 0.525022 0.830265 0.464826 0.070 Uiso 1 1 calc GR . . . .
H9C H 0.497282 0.877699 0.558223 0.070 Uiso 1 1 calc GR . . . .
C10 C 0.42567(19) 0.8716(4) 0.7391(4) 0.0443(12) Uani 1 1 d . . . . .
H10A H 0.425448 0.806219 0.774979 0.066 Uiso 1 1 calc GR . . . .
H10B H 0.420827 0.927016 0.787553 0.066 Uiso 1 1 calc GR . . . .
H10C H 0.456801 0.880594 0.707205 0.066 Uiso 1 1 calc GR . . . .
C8 C 0.49277(17) 0.6511(4) 0.5843(4) 0.0437(12) Uani 1 1 d . . . . .
H8A H 0.491528 0.678688 0.653281 0.066 Uiso 1 1 calc GR . . . .
H8B H 0.526277 0.651146 0.562805 0.066 Uiso 1 1 calc GR . . . .
H8C H 0.480298 0.581275 0.583367 0.066 Uiso 1 1 calc GR . . . .
C7 C 0.46887(18) 0.6694(5) 0.3740(4) 0.0463(13) Uani 1 1 d . . . . .
H7A H 0.453988 0.601664 0.371074 0.069 Uiso 1 1 calc GR . . . .
H7B H 0.503946 0.662746 0.368762 0.069 Uiso 1 1 calc GR . . . .
H7C H 0.455892 0.710962 0.317632 0.069 Uiso 1 1 calc GR . . . .
H H 0.373(2) 0.662(5) 0.450(5) 0.064(18) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P3 2.2265(12) . ?
Co1 Si1 2.2267(12) . ?
Co1 Cl1 2.3664(11) . ?
Co1 P2 2.2021(13) . ?
Co1 P1 2.2014(12) . ?
Co1 H 1.45(6) . ?
P3 C11 1.835(5) . ?
P3 C12 1.813(5) . ?
P3 C10 1.829(5) . ?
Si1 H1A 1.40(4) . ?
Si1 H1B 1.46(4) . ?
Si1 C1 1.903(4) . ?
P2 C14 1.820(5) . ?
P2 C15 1.817(5) . ?
P2 C13 1.823(5) . ?
P1 C9 1.826(5) . ?
P1 C8 1.819(5) . ?
P1 C7 1.817(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(6) . ?
C4 C3 1.357(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(6) . ?
C1 C2 1.394(6) . ?
C1 C6 1.391(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.397(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C3 H3 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C6 H6 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?

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
P3 Co1 Si1 91.72(5) . . ?
P3 Co1 Cl1 97.31(4) . . ?
P3 Co1 H 168(2) . . ?
Si1 Co1 Cl1 170.96(5) . . ?
Si1 Co1 H 77(2) . . ?
Cl1 Co1 H 94(2) . . ?
P2 Co1 P3 100.15(5) . . ?
P2 Co1 Si1 93.06(5) . . ?
P2 Co1 Cl1 86.00(4) . . ?
P2 Co1 H 78(2) . . ?
P1 Co1 P3 101.01(5) . . ?
P1 Co1 Si1 92.01(4) . . ?
P1 Co1 Cl1 85.66(4) . . ?
P1 Co1 P2 158.06(5) . . ?
P1 Co1 H 82(2) . . ?
C11 P3 Co1 118.68(17) . . ?
C12 P3 Co1 115.58(16) . . ?
C12 P3 C11 101.1(2) . . ?
C12 P3 C10 101.0(2) . . ?
C10 P3 Co1 118.98(17) . . ?
C10 P3 C11 98.1(3) . . ?
Co1 Si1 H1A 112.3(18) . . ?
Co1 Si1 H1B 115.1(17) . . ?
H1A Si1 H1B 101(2) . . ?
C1 Si1 Co1 119.35(12) . . ?
C1 Si1 H1A 102.6(18) . . ?
C1 Si1 H1B 104.0(18) . . ?
C14 P2 Co1 122.08(17) . . ?
C14 P2 C13 101.1(3) . . ?
C15 P2 Co1 112.65(19) . . ?
C15 P2 C14 99.9(3) . . ?
C15 P2 C13 101.3(3) . . ?
C13 P2 Co1 116.69(17) . . ?
C9 P1 Co1 116.94(18) . . ?
C8 P1 Co1 122.48(17) . . ?
C8 P1 C9 100.9(2) . . ?
C7 P1 Co1 112.56(17) . . ?
C7 P1 C9 101.0(3) . . ?
C7 P1 C8 99.7(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(4) . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.1(4) . . ?
C6 C5 H5 120.4 . . ?
C2 C1 Si1 118.5(3) . . ?
C6 C1 Si1 124.6(3) . . ?
C6 C1 C2 116.9(4) . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.5(4) . . ?
C3 C2 H2 119.3 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P3 C11 H11A 109.5 . . ?
P3 C11 H11B 109.5 . . ?
P3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
P2 C15 H15A 109.5 . . ?
P2 C15 H15B 109.5 . . ?
P2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C5 C6 H6 119.0 . . ?
C1 C6 C5 121.9(4) . . ?
C1 C6 H6 119.0 . . ?
P3 C12 H12A 109.5 . . ?
P3 C12 H12B 109.5 . . ?
P3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C10 H10A 109.5 . . ?
P3 C10 H10B 109.5 . . ?
P3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C8 H8A 109.5 . . ?
P1 C8 H8B 109.5 . . ?
P1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 C1 C2 C3 179.8(4) . . . . ?
Si1 C1 C6 C5 -179.2(3) . . . . ?
C4 C5 C6 C1 -0.7(6) . . . . ?
C5 C4 C3 C2 0.0(7) . . . . ?
C1 C2 C3 C4 -0.5(7) . . . . ?
C2 C1 C6 C5 0.2(6) . . . . ?
C3 C4 C5 C6 0.6(7) . . . . ?
C6 C1 C2 C3 0.4(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.945
_oxdiff_exptl_absorpt_empirical_full_min 0.627
