#------------------------------------------------------------------------------
#$Date: 2021-04-05 16:56:17 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/79/7127967.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7127967
loop_
_publ_author_name
'So, Jongho'
'Kim, Seji'
'Cho, Kyung-Bin'
'Lee, Yunho'
_publ_section_title
;
 Metal-ligand cooperative transformation of alkyl azide to isocyanate
 occurring at a Co-Si moiety.
;
_journal_issue                   26
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3219
_journal_page_last               3222
_journal_paper_doi               10.1039/d0cc08012h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C50 H78 Co2 N2 P4 Si2'
_chemical_formula_sum            'C50 H78 Co2 N2 P4 Si2'
_chemical_formula_weight         1005.06
_chemical_name_systematic        {(MeSiP2)Co}2(N2)
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-09-19 deposited with the CCDC.	2021-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                98.615(2)
_cell_angle_beta                 98.070(2)
_cell_angle_gamma                104.748(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9844(4)
_cell_length_b                   13.1181(4)
_cell_length_c                   17.6206(6)
_cell_measurement_reflns_used    117939
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      36.590
_cell_measurement_theta_min      1.190
_cell_volume                     2602.12(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            117929
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.590
_diffrn_reflns_theta_min         2.202
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   0.7472
_exptl_transmission_factor_min   0.6700
_refine_diff_density_max         0.882
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         24622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0486P)²+0.2320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0964
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17883
_reflns_number_total             24622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc08012h2.cif
_cod_data_source_block           0727A-1_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7127967--7127973.cif.
;
_cod_original_cell_volume        2602.11(15)
_cod_database_code               7127967
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.78110(2) 0.55577(2) 0.26573(2) 0.01484(3) Uani 1 1 d . . . . .
C1 C 0.97104(10) 0.73108(9) 0.18543(6) 0.0186(2) Uani 1 1 d . . . . .
N1 N 0.68535(8) 0.42323(8) 0.26030(5) 0.01708(17) Uani 1 1 d . . . . .
Si1 Si 0.82736(3) 0.71085(2) 0.22304(2) 0.01612(6) Uani 1 1 d . . . . .
P1 P 0.91808(3) 0.52322(2) 0.20547(2) 0.01715(5) Uani 1 1 d . . . . .
Co2 Co 0.47950(2) 0.23542(2) 0.23757(2) 0.01550(3) Uani 1 1 d . . . . .
C2 C 1.01592(10) 0.64174(9) 0.18218(7) 0.0189(2) Uani 1 1 d . . . . .
N2 N 0.61276(8) 0.34349(8) 0.24832(6) 0.01789(17) Uani 1 1 d . . . . .
Si2 Si 0.30416(3) 0.18268(3) 0.27175(2) 0.01670(6) Uani 1 1 d . . . . .
P2 P 0.74924(3) 0.65457(2) 0.36612(2) 0.01849(6) Uani 1 1 d . . . . .
P3 P 0.52129(2) 0.12113(2) 0.30739(2) 0.01823(6) Uani 1 1 d . . . . .
C3 C 1.12634(11) 0.64801(11) 0.16229(8) 0.0264(2) Uani 1 1 d . . . . .
H3 H 1.156246 0.587389 0.160444 0.032 Uiso 1 1 calc R U . . .
P4 P 0.37495(2) 0.24466(2) 0.12889(2) 0.01686(5) Uani 1 1 d . . . . .
C4 C 1.19218(11) 0.74242(11) 0.14527(8) 0.0286(3) Uani 1 1 d . . . . .
H4 H 1.267762 0.746810 0.133014 0.034 Uiso 1 1 calc R U . . .
C7 C 0.84220(9) 0.82882(9) 0.30453(7) 0.0184(2) Uani 1 1 d . . . . .
C6 C 1.03760(11) 0.82403(10) 0.16519(7) 0.0251(2) Uani 1 1 d . . . . .
H6 H 1.006939 0.883973 0.164439 0.030 Uiso 1 1 calc R U . . .
C5 C 1.14781(12) 0.83028(11) 0.14614(8) 0.0277(3) Uani 1 1 d . . . . .
H5 H 1.192399 0.894581 0.133789 0.033 Uiso 1 1 calc R U . . .
C9 C 0.80696(13) 0.87848(11) 0.43616(8) 0.0303(3) Uani 1 1 d . . . . .
H9 H 0.779002 0.857859 0.481023 0.036 Uiso 1 1 calc R U . . .
C8 C 0.80452(10) 0.79998(10) 0.37198(7) 0.0217(2) Uani 1 1 d . . . . .
C10 C 0.85037(12) 0.98634(11) 0.43383(9) 0.0316(3) Uani 1 1 d . . . . .
H10 H 0.854457 1.039777 0.477770 0.038 Uiso 1 1 calc R U . . .
C11 C 0.88788(11) 1.01620(10) 0.36720(9) 0.0271(3) Uani 1 1 d . . . . .
H11 H 0.918019 1.090086 0.365717 0.032 Uiso 1 1 calc R U . . .
C12 C 0.88137(10) 0.93818(10) 0.30274(8) 0.0225(2) Uani 1 1 d . . . . .
H12 H 0.903924 0.959514 0.256636 0.027 Uiso 1 1 calc R U . . .
C13 C 0.71566(12) 0.72801(11) 0.14170(8) 0.0261(2) Uani 1 1 d . . . . .
H13A H 0.741968 0.800217 0.130259 0.039 Uiso 1 1 calc R U . . .
H13B H 0.639471 0.718315 0.158169 0.039 Uiso 1 1 calc R U . . .
H13C H 0.707907 0.674334 0.094709 0.039 Uiso 1 1 calc R U . . .
C14 C 1.02214(11) 0.46215(11) 0.25787(8) 0.0258(2) Uani 1 1 d . . . . .
H14 H 1.077275 0.448404 0.222506 0.031 Uiso 1 1 calc R U . . .
C15 C 1.09560(14) 0.53884(14) 0.33212(9) 0.0374(3) Uani 1 1 d . . . . .
H15A H 1.155794 0.508130 0.354998 0.056 Uiso 1 1 calc R U . . .
H15B H 1.044662 0.549634 0.369692 0.056 Uiso 1 1 calc R U . . .
H15C H 1.133488 0.608006 0.319324 0.056 Uiso 1 1 calc R U . . .
C16 C 0.95769(14) 0.35402(12) 0.27502(10) 0.0361(3) Uani 1 1 d . . . . .
H16A H 1.014560 0.323119 0.301876 0.054 Uiso 1 1 calc R U . . .
H16B H 0.916172 0.305078 0.225833 0.054 Uiso 1 1 calc R U . . .
H16C H 0.901012 0.364526 0.308333 0.054 Uiso 1 1 calc R U . . .
C17 C 0.86419(11) 0.42789(10) 0.10913(7) 0.0229(2) Uani 1 1 d . . . . .
H17 H 0.807861 0.362345 0.118457 0.028 Uiso 1 1 calc R U . . .
C18 C 0.79418(12) 0.47701(11) 0.05270(8) 0.0279(3) Uani 1 1 d . . . . .
H18A H 0.759721 0.424563 0.003951 0.042 Uiso 1 1 calc R U . . .
H18B H 0.846553 0.541399 0.041549 0.042 Uiso 1 1 calc R U . . .
H18C H 0.731439 0.496525 0.076448 0.042 Uiso 1 1 calc R U . . .
C19 C 0.95805(13) 0.39008(12) 0.07138(8) 0.0327(3) Uani 1 1 d . . . . .
H19A H 0.920524 0.338418 0.022670 0.049 Uiso 1 1 calc R U . . .
H19B H 0.999390 0.355679 0.107269 0.049 Uiso 1 1 calc R U . . .
H19C H 1.014256 0.451971 0.060062 0.049 Uiso 1 1 calc R U . . .
C20 C 0.82115(13) 0.63387(11) 0.46136(7) 0.0290(3) Uani 1 1 d . . . . .
H20 H 0.778481 0.656956 0.502653 0.035 Uiso 1 1 calc R U . . .
C21 C 0.95047(14) 0.70040(14) 0.48456(9) 0.0396(3) Uani 1 1 d . . . . .
H21A H 0.987403 0.680227 0.531076 0.059 Uiso 1 1 calc R U . . .
H21B H 0.955105 0.776973 0.495976 0.059 Uiso 1 1 calc R U . . .
H21C H 0.991449 0.686474 0.441456 0.059 Uiso 1 1 calc R U . . .
C22 C 0.81210(15) 0.51433(13) 0.45789(9) 0.0383(3) Uani 1 1 d . . . . .
H22A H 0.846592 0.503998 0.508989 0.057 Uiso 1 1 calc R U . . .
H22B H 0.854590 0.490380 0.418296 0.057 Uiso 1 1 calc R U . . .
H22C H 0.729338 0.472313 0.444189 0.057 Uiso 1 1 calc R U . . .
C23 C 0.59700(11) 0.64836(11) 0.38219(8) 0.0275(3) Uani 1 1 d . . . . .
H23 H 0.603684 0.702763 0.430110 0.033 Uiso 1 1 calc R U . . .
C24 C 0.53069(13) 0.68117(13) 0.31357(10) 0.0369(3) Uani 1 1 d . . . . .
H24A H 0.451051 0.678672 0.322103 0.055 Uiso 1 1 calc R U . . .
H24B H 0.526457 0.631530 0.265106 0.055 Uiso 1 1 calc R U . . .
H24C H 0.572073 0.754348 0.309536 0.055 Uiso 1 1 calc R U . . .
C25 C 0.52980(13) 0.53924(12) 0.39595(9) 0.0355(3) Uani 1 1 d . . . . .
H25A H 0.449976 0.540197 0.401917 0.053 Uiso 1 1 calc R U . . .
H25B H 0.570167 0.524111 0.443506 0.053 Uiso 1 1 calc R U . . .
H25C H 0.526111 0.483333 0.351272 0.053 Uiso 1 1 calc R U . . .
C26 C 0.28946(10) 0.05743(10) 0.31584(7) 0.0200(2) Uani 1 1 d . . . . .
C27 C 0.39410(10) 0.02866(10) 0.33070(7) 0.0215(2) Uani 1 1 d . . . . .
C28 C 0.39700(12) -0.06164(12) 0.36401(9) 0.0316(3) Uani 1 1 d . . . . .
H28 H 0.468830 -0.079333 0.375450 0.038 Uiso 1 1 calc R U . . .
C29 C 0.29488(14) -0.12481(12) 0.38014(9) 0.0361(3) Uani 1 1 d . . . . .
H29 H 0.296143 -0.187355 0.400929 0.043 Uiso 1 1 calc R U . . .
C30 C 0.19059(12) -0.09700(13) 0.36602(8) 0.0335(3) Uani 1 1 d . . . . .
H30 H 0.120638 -0.140528 0.377091 0.040 Uiso 1 1 calc R U . . .
C31 C 0.18864(11) -0.00579(12) 0.33581(8) 0.0284(3) Uani 1 1 d . . . . .
H31 H 0.117728 0.014348 0.328457 0.034 Uiso 1 1 calc R U . . .
C32 C 0.17975(9) 0.15558(9) 0.18519(6) 0.01692(19) Uani 1 1 d . . . . .
C33 C 0.21660(9) 0.18132(9) 0.11648(7) 0.01806(19) Uani 1 1 d . . . . .
C34 C 0.13477(11) 0.16813(10) 0.04818(7) 0.0234(2) Uani 1 1 d . . . . .
H34 H 0.160763 0.186440 0.002193 0.028 Uiso 1 1 calc R U . . .
C35 C 0.01569(11) 0.12831(10) 0.04770(7) 0.0248(2) Uani 1 1 d . . . . .
H35 H -0.039772 0.116933 0.000913 0.030 Uiso 1 1 calc R U . . .
C36 C -0.02226(10) 0.10513(10) 0.11573(8) 0.0243(2) Uani 1 1 d . . . . .
H36 H -0.103879 0.079200 0.115657 0.029 Uiso 1 1 calc R U . . .
C37 C 0.05859(10) 0.11970(10) 0.18384(7) 0.0211(2) Uani 1 1 d . . . . .
H37 H 0.031474 0.105150 0.230313 0.025 Uiso 1 1 calc R U . . .
C38 C 0.27173(11) 0.28477(12) 0.34740(8) 0.0280(3) Uani 1 1 d . . . . .
H38A H 0.196827 0.252854 0.362466 0.042 Uiso 1 1 calc R U . . .
H38B H 0.266926 0.348107 0.325303 0.042 Uiso 1 1 calc R U . . .
H38C H 0.334686 0.306084 0.393531 0.042 Uiso 1 1 calc R U . . .
C39 C 0.59971(11) 0.02954(11) 0.26067(8) 0.0242(2) Uani 1 1 d . . . . .
H39 H 0.637579 -0.001371 0.302388 0.029 Uiso 1 1 calc R U . . .
C40 C 0.51394(14) -0.06351(13) 0.20015(9) 0.0374(3) Uani 1 1 d . . . . .
H40A H 0.557128 -0.110451 0.176955 0.056 Uiso 1 1 calc R U . . .
H40B H 0.474773 -0.034853 0.159112 0.056 Uiso 1 1 calc R U . . .
H40C H 0.455041 -0.104746 0.225658 0.056 Uiso 1 1 calc R U . . .
C41 C 0.69595(13) 0.09032(13) 0.22220(9) 0.0357(3) Uani 1 1 d . . . . .
H41A H 0.736916 0.040754 0.199737 0.054 Uiso 1 1 calc R U . . .
H41B H 0.752037 0.148304 0.261462 0.054 Uiso 1 1 calc R U . . .
H41C H 0.660583 0.120840 0.180761 0.054 Uiso 1 1 calc R U . . .
C42 C 0.60955(11) 0.17074(11) 0.40876(7) 0.0242(2) Uani 1 1 d . . . . .
H42 H 0.611280 0.106943 0.433170 0.029 Uiso 1 1 calc R U . . .
C43 C 0.54804(13) 0.23909(13) 0.45664(8) 0.0328(3) Uani 1 1 d . . . . .
H43A H 0.593987 0.265865 0.509738 0.049 Uiso 1 1 calc R U . . .
H43B H 0.469488 0.195171 0.458847 0.049 Uiso 1 1 calc R U . . .
H43C H 0.541253 0.299974 0.431987 0.049 Uiso 1 1 calc R U . . .
C44 C 0.73592(11) 0.23413(12) 0.41068(9) 0.0309(3) Uani 1 1 d . . . . .
H44A H 0.775127 0.264927 0.464968 0.046 Uiso 1 1 calc R U . . .
H44B H 0.736316 0.292063 0.381387 0.046 Uiso 1 1 calc R U . . .
H44C H 0.777590 0.186160 0.386920 0.046 Uiso 1 1 calc R U . . .
C45 C 0.41435(11) 0.18277(11) 0.03755(7) 0.0236(2) Uani 1 1 d . . . . .
H45 H 0.380572 0.212427 -0.006500 0.028 Uiso 1 1 calc R U . . .
C46 C 0.36212(14) 0.06073(12) 0.01863(9) 0.0359(3) Uani 1 1 d . . . . .
H46A H 0.385601 0.030984 -0.029014 0.054 Uiso 1 1 calc R U . . .
H46B H 0.276262 0.043084 0.010669 0.054 Uiso 1 1 calc R U . . .
H46C H 0.391007 0.029881 0.062115 0.054 Uiso 1 1 calc R U . . .
C47 C 0.54757(12) 0.21102(14) 0.04218(9) 0.0351(3) Uani 1 1 d . . . . .
H47A H 0.564701 0.185088 -0.008797 0.053 Uiso 1 1 calc R U . . .
H47B H 0.582068 0.176887 0.081588 0.053 Uiso 1 1 calc R U . . .
H47C H 0.581177 0.289143 0.056702 0.053 Uiso 1 1 calc R U . . .
C48 C 0.36485(11) 0.37829(10) 0.10769(7) 0.0232(2) Uani 1 1 d . . . . .
H48 H 0.305934 0.364503 0.058454 0.028 Uiso 1 1 calc R U . . .
C49 C 0.31788(13) 0.43406(12) 0.17352(9) 0.0331(3) Uani 1 1 d . . . . .
H49A H 0.315051 0.505220 0.164169 0.050 Uiso 1 1 calc R U . . .
H49B H 0.369780 0.441832 0.223523 0.050 Uiso 1 1 calc R U . . .
H49C H 0.238700 0.390880 0.175083 0.050 Uiso 1 1 calc R U . . .
C50 C 0.47977(12) 0.45087(12) 0.09567(9) 0.0324(3) Uani 1 1 d . . . . .
H50A H 0.468659 0.520261 0.087746 0.049 Uiso 1 1 calc R U . . .
H50B H 0.503812 0.416969 0.049681 0.049 Uiso 1 1 calc R U . . .
H50C H 0.540730 0.462053 0.141863 0.049 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Co1 P2 105.04(3) . . ?
N1 Co1 P1 102.83(3) . . ?
P2 Co1 P1 143.479(13) . . ?
N1 Co1 Si1 151.31(3) . . ?
P2 Co1 Si1 83.642(13) . . ?
P1 Co1 Si1 83.129(12) . . ?
C6 C1 C2 118.07(11) . . ?
C6 C1 Si1 127.99(9) . . ?
C2 C1 Si1 113.85(8) . . ?
N2 N1 Co1 169.17(9) . . ?
C13 Si1 C7 103.48(5) . . ?
C13 Si1 C1 106.12(6) . . ?
C7 Si1 C1 108.71(5) . . ?
C13 Si1 Co1 116.35(4) . . ?
C7 Si1 Co1 110.64(4) . . ?
C1 Si1 Co1 111.05(4) . . ?
C2 P1 C14 102.91(6) . . ?
C2 P1 C17 103.74(5) . . ?
C14 P1 C17 102.53(6) . . ?
C2 P1 Co1 114.73(4) . . ?
C14 P1 Co1 116.23(4) . . ?
C17 P1 Co1 114.96(4) . . ?
N2 Co2 P4 103.56(3) . . ?
N2 Co2 P3 107.23(3) . . ?
P4 Co2 P3 142.346(14) . . ?
N2 Co2 Si2 146.39(3) . . ?
P4 Co2 Si2 83.245(12) . . ?
P3 Co2 Si2 83.001(12) . . ?
C3 C2 C1 120.35(11) . . ?
C3 C2 P1 125.61(9) . . ?
C1 C2 P1 114.03(8) . . ?
N1 N2 Co2 167.68(9) . . ?
C38 Si2 C32 104.21(5) . . ?
C38 Si2 C26 105.31(6) . . ?
C32 Si2 C26 109.22(5) . . ?
C38 Si2 Co2 114.89(4) . . ?
C32 Si2 Co2 111.53(4) . . ?
C26 Si2 Co2 111.23(4) . . ?
C8 P2 C20 103.35(6) . . ?
C8 P2 C23 98.63(6) . . ?
C20 P2 C23 102.52(6) . . ?
C8 P2 Co1 115.02(4) . . ?
C20 P2 Co1 113.26(5) . . ?
C23 P2 Co1 121.53(4) . . ?
C27 P3 C39 103.43(6) . . ?
C27 P3 C42 98.11(6) . . ?
C39 P3 C42 103.24(6) . . ?
C27 P3 Co2 114.91(4) . . ?
C39 P3 Co2 114.63(4) . . ?
C42 P3 Co2 120.00(4) . . ?
C4 C3 C2 120.27(12) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C33 P4 C45 103.55(5) . . ?
C33 P4 C48 96.95(5) . . ?
C45 P4 C48 102.20(6) . . ?
C33 P4 Co2 115.33(4) . . ?
C45 P4 Co2 115.67(4) . . ?
C48 P4 Co2 120.24(4) . . ?
C5 C4 C3 120.09(12) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C12 C7 C8 118.05(11) . . ?
C12 C7 Si1 127.39(9) . . ?
C8 C7 Si1 114.51(8) . . ?
C5 C6 C1 121.35(12) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C4 C5 C6 119.79(12) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C10 C9 C8 119.68(13) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C7 C8 C9 120.98(12) . . ?
C7 C8 P2 114.21(8) . . ?
C9 C8 P2 124.78(10) . . ?
C9 C10 C11 119.96(12) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.10(12) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 121.14(12) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 111.61(12) . . ?
C15 C14 P1 111.38(9) . . ?
C16 C14 P1 111.13(9) . . ?
C15 C14 H14 107.5 . . ?
C16 C14 H14 107.5 . . ?
P1 C14 H14 107.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 110.56(11) . . ?
C18 C17 P1 109.37(8) . . ?
C19 C17 P1 115.96(9) . . ?
C18 C17 H17 106.8 . . ?
C19 C17 H17 106.8 . . ?
P1 C17 H17 106.8 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C22 109.72(13) . . ?
C21 C20 P2 112.22(10) . . ?
C22 C20 P2 110.24(9) . . ?
C21 C20 H20 108.2 . . ?
C22 C20 H20 108.2 . . ?
P2 C20 H20 108.2 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 111.50(12) . . ?
C25 C23 P2 113.36(10) . . ?
C24 C23 P2 109.30(9) . . ?
C25 C23 H23 107.5 . . ?
C24 C23 H23 107.5 . . ?
P2 C23 H23 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C31 118.13(11) . . ?
C27 C26 Si2 114.15(8) . . ?
C31 C26 Si2 127.71(9) . . ?
C26 C27 C28 120.59(11) . . ?
C26 C27 P3 114.21(9) . . ?
C28 C27 P3 125.15(9) . . ?
C29 C28 C27 119.81(13) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.20(13) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 119.96(13) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C26 121.21(12) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
C37 C32 C33 117.94(10) . . ?
C37 C32 Si2 127.81(9) . . ?
C33 C32 Si2 114.14(8) . . ?
C34 C33 C32 120.81(10) . . ?
C34 C33 P4 124.93(9) . . ?
C32 C33 P4 113.96(8) . . ?
C35 C34 C33 119.96(11) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.88(11) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 120.25(11) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C32 121.08(11) . . ?
C36 C37 H37 119.5 . . ?
C32 C37 H37 119.5 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C41 C39 C40 109.72(12) . . ?
C41 C39 P3 111.43(9) . . ?
C40 C39 P3 111.18(9) . . ?
C41 C39 H39 108.1 . . ?
C40 C39 H39 108.1 . . ?
P3 C39 H39 108.1 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C44 C42 C43 110.52(12) . . ?
C44 C42 P3 113.07(9) . . ?
C43 C42 P3 108.92(8) . . ?
C44 C42 H42 108.1 . . ?
C43 C42 H42 108.1 . . ?
P3 C42 H42 108.1 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C47 109.72(11) . . ?
C46 C45 P4 111.74(9) . . ?
C47 C45 P4 111.78(9) . . ?
C46 C45 H45 107.8 . . ?
C47 C45 H45 107.8 . . ?
P4 C45 H45 107.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C50 C48 C49 110.81(12) . . ?
C50 C48 P4 114.24(9) . . ?
C49 C48 P4 108.67(9) . . ?
C50 C48 H48 107.6 . . ?
C49 C48 H48 107.6 . . ?
P4 C48 H48 107.6 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
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 N1 1.8034(10) . ?
Co1 P2 2.1701(3) . ?
Co1 P1 2.1713(3) . ?
Co1 Si1 2.2391(4) . ?
C1 C6 1.4019(17) . ?
C1 C2 1.4055(16) . ?
C1 Si1 1.9013(12) . ?
N1 N2 1.1466(13) . ?
Si1 C13 1.8995(12) . ?
Si1 C7 1.9002(12) . ?
P1 C2 1.8328(12) . ?
P1 C14 1.8591(12) . ?
P1 C17 1.8729(12) . ?
Co2 N2 1.8106(10) . ?
Co2 P4 2.1737(3) . ?
Co2 P3 2.1849(3) . ?
Co2 Si2 2.2354(3) . ?
C2 C3 1.4015(16) . ?
Si2 C38 1.8966(13) . ?
Si2 C32 1.8987(11) . ?
Si2 C26 1.8995(12) . ?
P2 C8 1.8348(12) . ?
P2 C20 1.8659(13) . ?
P2 C23 1.8688(13) . ?
P3 C27 1.8297(12) . ?
P3 C39 1.8709(12) . ?
P3 C42 1.8719(12) . ?
C3 C4 1.3880(19) . ?
C3 H3 0.9500 . ?
P4 C33 1.8346(11) . ?
P4 C45 1.8681(12) . ?
P4 C48 1.8757(12) . ?
C4 C5 1.386(2) . ?
C4 H4 0.9500 . ?
C7 C12 1.3980(16) . ?
C7 C8 1.3992(17) . ?
C6 C5 1.3933(18) . ?
C6 H6 0.9500 . ?
C5 H5 0.9500 . ?
C9 C10 1.387(2) . ?
C9 C8 1.4025(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.3892(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.526(2) . ?
C14 C16 1.528(2) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.5299(18) . ?
C17 C19 1.5327(17) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.535(2) . ?
C20 C22 1.535(2) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C25 1.526(2) . ?
C23 C24 1.529(2) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.4007(16) . ?
C26 C31 1.4028(17) . ?
C27 C28 1.4044(17) . ?
C28 C29 1.385(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(2) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.4034(15) . ?
C32 C33 1.4040(16) . ?
C33 C34 1.3999(16) . ?
C34 C35 1.3876(17) . ?
C34 H34 0.9500 . ?
C35 C36 1.3887(19) . ?
C35 H35 0.9500 . ?
C36 C37 1.3879(17) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C41 1.5293(19) . ?
C39 C40 1.532(2) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44 1.5240(18) . ?
C42 C43 1.5308(19) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.529(2) . ?
C45 C47 1.5318(18) . ?
C45 H45 1.0000 . ?
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 C50 1.5241(18) . ?
C48 C49 1.5285(19) . ?
C48 H48 1.0000 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
