#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:48:21 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257536 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/51/7705160.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_7705160
loop_
_publ_author_name
'He, Zhiyuan'
'Xue, Xiaolian'
'Liu, Yilan'
'Yu, Na'
'Krogman, Jeremy P.'
_publ_section_title
;
 Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt
 for the synthesis of mono- and bis-silylene complexes.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12586
_journal_page_last               12591
_journal_paper_doi               10.1039/d0dt00570c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C36 H52 Cl2 Co N4 Si2, 0.5(Cl6 Co2), 2(C6 H6)'
_chemical_formula_sum            'C48 H64 Cl5 Co2 N4 Si2'
_chemical_formula_weight         1048.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-01-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-02-14 deposited with the CCDC.	2020-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.706(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.502(2)
_cell_length_b                   13.2285(9)
_cell_length_c                   18.1814(15)
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.369
_cell_measurement_theta_min      2.530
_cell_volume                     5643.2(7)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      149.99
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36261
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_min         2.309
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.900
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0866 before and 0.0599 after correction. The Ratio of minimum to maximum transmission is 0.3768. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_description       trapezoid
_exptl_crystal_F_000             2188
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Benzene'
_exptl_crystal_size_max          0.231
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.151
_refine_diff_density_max         2.130
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5730
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1451P)²+14.0619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2220
_refine_ls_wR_factor_ref         0.2481
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4111
_reflns_number_total             5730
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00570c2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7705159--7705168.cif.'
_cod_original_cell_volume        5643.3(8)
_cod_database_code               7705160
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.876
_shelx_estimated_absorpt_t_min   0.819
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 C26, H26, C27, H27, C28, H28, C29, H29, C30, H30, C31, H31
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C26A, H26A, C27A, H27A, C28A, H28A, C29A, H29A, C30A, H30A, C31A, H31A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Sof(C29A)=Sof(H29A)=Sof(C28A)=Sof(H28A)=Sof(C27A)=Sof(H27A)=Sof(C26A)=
 Sof(H26A)=Sof(C31A)=Sof(H31A)=Sof(C30A)=Sof(H30A)=1-FVAR(1)
 Sof(C26)=Sof(H26)=Sof(C31)=Sof(H31)=Sof(C30)=Sof(H30)=Sof(C29)=Sof(H29)=
 Sof(C28)=Sof(H28)=Sof(C27)=Sof(H27)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C23(H23), C24(H24), C25(H25)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C26(H26), C31(H31), C30(H30), C29(H29), C28(H28), C27(H27),
  C29A(H29A), C28A(H28A), C27A(H27A), C26A(H26A), C31A(H31A), C30A(H30A)
4.c Fitted hexagon refined as free rotating group:
 C26(C31,C30,C29,C28,C27), C29A(C28A,C27A,C26A,C31A,C30A)
4.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.45285(4) 0.5000 0.77819(6) 0.0699(4) Uani 1 2 d S T P . .
Co2 Co 0.05853(4) 0.5000 0.08283(7) 0.0583(3) Uani 1 2 d S T P . .
Cl1 Cl 0.51478(11) 0.5000 0.64080(18) 0.198(3) Uani 1 2 d S T P . .
Cl2 Cl 0.29553(7) 0.5000 0.61668(10) 0.0593(4) Uani 1 2 d S T P . .
Cl3 Cl 0.13788(7) 0.5000 0.06888(12) 0.0601(4) Uani 1 2 d S T P . .
Cl4 Cl 0.06834(7) 0.5000 0.21576(10) 0.0498(4) Uani 1 2 d S T P . .
Cl5 Cl 0.0000 0.36491(12) 0.0000 0.0570(4) Uani 1 2 d S T P . .
Si1 Si 0.43850(10) 0.5000 0.65194(15) 0.1021(11) Uani 1 2 d S T P . .
Si2 Si 0.36285(8) 0.5000 0.73911(11) 0.0500(4) Uani 1 2 d S T P . .
N1 N 0.3950(2) 0.5808(6) 0.5626(3) 0.096(2) Uani 1 1 d . . . . .
N2 N 0.33309(17) 0.4194(3) 0.7918(2) 0.0498(9) Uani 1 1 d . . . . .
C1 C 0.3729(3) 0.5000 0.5147(5) 0.087(3) Uani 1 2 d S T P . .
C2 C 0.3344(4) 0.5000 0.4242(5) 0.084(3) Uani 1 2 d S T P . .
C3 C 0.2744(3) 0.5000 0.3917(6) 0.075(2) Uani 1 2 d S T P . .
H3 H 0.2572 0.5000 0.4273 0.090 Uiso 1 2 calc RS T P . .
C4 C 0.2416(4) 0.5000 0.3057(7) 0.085(3) Uani 1 2 d S T P . .
H4 H 0.2012 0.5000 0.2821 0.102 Uiso 1 2 calc RS T P . .
C5 C 0.2666(5) 0.5000 0.2546(5) 0.082(3) Uani 1 2 d S T P . .
H5 H 0.2435 0.5000 0.1960 0.098 Uiso 1 2 calc RS T P . .
C6 C 0.3230(5) 0.5000 0.2865(5) 0.092(3) Uani 1 2 d S T P . .
H6 H 0.3396 0.5000 0.2500 0.111 Uiso 1 2 calc RS T P . .
C7 C 0.3573(5) 0.5000 0.3687(6) 0.100(3) Uani 1 2 d S T P . .
H7 H 0.3974 0.5000 0.3894 0.120 Uiso 1 2 calc RS T P . .
C8 C 0.3899(4) 0.6903(8) 0.5436(4) 0.113(3) Uani 1 1 d . . . . .
C9 C 0.3282(4) 0.7268(7) 0.5140(5) 0.120(3) Uani 1 1 d . . . . .
H9A H 0.3030 0.6944 0.4610 0.180 Uiso 1 1 calc GR . . . .
H9B H 0.3264 0.8004 0.5066 0.180 Uiso 1 1 calc GR . . . .
H9C H 0.3159 0.7090 0.5555 0.180 Uiso 1 1 calc GR . . . .
C10 C 0.4100(6) 0.7164(10) 0.4797(6) 0.172(6) Uani 1 1 d . . . . .
H10A H 0.4452 0.6794 0.4927 0.259 Uiso 1 1 calc GR . . . .
H10B H 0.4172 0.7893 0.4812 0.259 Uiso 1 1 calc GR . . . .
H10C H 0.3806 0.6974 0.4241 0.259 Uiso 1 1 calc GR . . . .
C11 C 0.4291(4) 0.7453(9) 0.6251(5) 0.136(4) Uani 1 1 d . . . . .
H11A H 0.4138 0.7375 0.6646 0.204 Uiso 1 1 calc GR . . . .
H11B H 0.4309 0.8172 0.6138 0.204 Uiso 1 1 calc GR . . . .
H11C H 0.4674 0.7160 0.6488 0.204 Uiso 1 1 calc GR . . . .
C12 C 0.3181(3) 0.5000 0.8208(4) 0.0465(13) Uani 1 2 d S T P . .
C13 C 0.2913(3) 0.5000 0.8770(4) 0.0468(13) Uani 1 2 d S T P . .
C14 C 0.3266(3) 0.5000 0.9630(4) 0.0523(15) Uani 1 2 d S T P . .
H14 H 0.3669 0.5000 0.9845 0.063 Uiso 1 2 calc RS T P . .
C15 C 0.3034(4) 0.5000 1.0158(5) 0.0650(19) Uani 1 2 d S T P . .
H15 H 0.3274 0.5000 1.0741 0.078 Uiso 1 2 calc RS T P . .
C16 C 0.2440(4) 0.5000 0.9844(6) 0.068(2) Uani 1 2 d S T P . .
H16 H 0.2277 0.5000 1.0211 0.082 Uiso 1 2 calc RS T P . .
C17 C 0.2096(3) 0.5000 0.8999(6) 0.068(2) Uani 1 2 d S T P . .
H17 H 0.1694 0.5000 0.8784 0.082 Uiso 1 2 calc RS T P . .
C18 C 0.2329(3) 0.5000 0.8460(5) 0.0548(15) Uani 1 2 d S T P . .
H18 H 0.2088 0.5000 0.7876 0.066 Uiso 1 2 calc RS T P . .
C19 C 0.3198(3) 0.3100(4) 0.7937(3) 0.0620(13) Uani 1 1 d . . . . .
C20 C 0.3328(4) 0.2765(5) 0.8810(4) 0.097(2) Uani 1 1 d . . . . .
H20A H 0.3724 0.2927 0.9198 0.146 Uiso 1 1 calc GR . . . .
H20B H 0.3268 0.2035 0.8813 0.146 Uiso 1 1 calc GR . . . .
H20C H 0.3073 0.3119 0.8979 0.146 Uiso 1 1 calc GR . . . .
C21 C 0.2568(3) 0.2931(4) 0.7351(5) 0.0823(18) Uani 1 1 d . . . . .
H21A H 0.2339 0.3294 0.7560 0.123 Uiso 1 1 calc GR . . . .
H21B H 0.2483 0.2207 0.7319 0.123 Uiso 1 1 calc GR . . . .
H21C H 0.2478 0.3184 0.6797 0.123 Uiso 1 1 calc GR . . . .
C22 C 0.3559(3) 0.2524(4) 0.7636(4) 0.0798(17) Uani 1 1 d . . . . .
H22A H 0.3456 0.2729 0.7066 0.120 Uiso 1 1 calc GR . . . .
H22B H 0.3491 0.1797 0.7648 0.120 Uiso 1 1 calc GR . . . .
H22C H 0.3962 0.2671 0.7998 0.120 Uiso 1 1 calc GR . . . .
C23 C 0.4760(2) 0.5530(5) 0.8985(3) 0.0818(19) Uani 1 1 d . . . . .
H23 H 0.4466 0.5889 0.9086 0.098 Uiso 1 1 calc R . . . .
C24 C 0.5067(3) 0.6080(7) 0.8685(4) 0.0856(19) Uani 1 1 d . . . . .
H24 H 0.4996 0.6821 0.8575 0.103 Uiso 1 1 calc R . . . .
C25 C 0.5375(2) 0.5532(6) 0.8347(4) 0.097(3) Uani 1 1 d . . . . .
H25 H 0.5518 0.5900 0.8000 0.117 Uiso 1 1 calc R . . . .
C26 C 0.1635(3) 0.2276(5) 0.8436(6) 0.065(2) Uani 0.697(15) 1 d . U . A 1
H26 H 0.1959 0.1873 0.8546 0.078 Uiso 0.697(15) 1 calc R U . A 1
C31 C 0.1263(5) 0.2558(8) 0.7626(4) 0.068(3) Uani 0.697(15) 1 d G U . A 1
H31 H 0.1333 0.2348 0.7182 0.082 Uiso 0.697(15) 1 calc R U . A 1
C30 C 0.0789(3) 0.3148(8) 0.7465(5) 0.082(3) Uani 0.697(15) 1 d G U . A 1
H30 H 0.0535 0.3341 0.6911 0.099 Uiso 0.697(15) 1 calc R U . A 1
C29 C 0.0687(3) 0.3456(5) 0.8115(9) 0.081(3) Uani 0.697(15) 1 d G U . A 1
H29 H 0.0363 0.3860 0.8005 0.097 Uiso 0.697(15) 1 calc R U . A 1
C28 C 0.1059(5) 0.3174(7) 0.8925(7) 0.077(3) Uani 0.697(15) 1 d G U . A 1
H28 H 0.0989 0.3384 0.9370 0.093 Uiso 0.697(15) 1 calc R U . A 1
C27 C 0.1533(4) 0.2584(7) 0.9086(3) 0.069(3) Uani 0.697(15) 1 d G U . A 1
H27 H 0.1787 0.2391 0.9640 0.083 Uiso 0.697(15) 1 calc R U . A 1
C29A C 0.0820(9) 0.3511(14) 0.8551(14) 0.065(5) Uani 0.303(15) 1 d . U . A 2
H29A H 0.0609 0.3897 0.8754 0.078 Uiso 0.303(15) 1 calc R U . A 2
C28A C 0.1315(11) 0.3015(19) 0.9103(6) 0.080(7) Uani 0.303(15) 1 d G U . A 2
H28A H 0.1442 0.3063 0.9684 0.096 Uiso 0.303(15) 1 calc R U . A 2
C27A C 0.1623(6) 0.2449(14) 0.8805(19) 0.081(6) Uani 0.303(15) 1 d G U . A 2
H27A H 0.1961 0.2111 0.9183 0.097 Uiso 0.303(15) 1 calc R U . A 2
C26A C 0.1436(11) 0.2379(15) 0.795(2) 0.081(7) Uani 0.303(15) 1 d G U . A 2
H26A H 0.1647 0.1993 0.7751 0.097 Uiso 0.303(15) 1 calc R U . A 2
C31A C 0.0942(13) 0.2875(18) 0.7403(9) 0.080(7) Uani 0.303(15) 1 d G U . A 2
H31A H 0.0815 0.2827 0.6822 0.096 Uiso 0.303(15) 1 calc R U . A 2
C30A C 0.0634(7) 0.3440(13) 0.7701(11) 0.072(6) Uani 0.303(15) 1 d G U . A 2
H30A H 0.0296 0.3779 0.7323 0.087 Uiso 0.303(15) 1 calc R U . A 2
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'
Si Si 0.0817 0.0704 '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
Si1 Co1 Si2 91.66(9) . . ?
C23 Co1 Si1 159.4(2) . . ?
C23 Co1 Si1 159.35(19) 6_565 . ?
C23 Co1 Si2 94.92(17) 6_565 . ?
C23 Co1 Si2 94.92(17) . . ?
C23 Co1 C23 39.0(4) 6_565 . ?
C23 Co1 C24 38.0(2) . . ?
C23 Co1 C24 69.9(3) . 6_565 ?
C23 Co1 C24 38.0(2) 6_565 6_565 ?
C23 Co1 C24 69.9(3) 6_565 . ?
C23 Co1 C25 69.6(3) . . ?
C23 Co1 C25 82.8(2) . 6_565 ?
C23 Co1 C25 82.8(2) 6_565 . ?
C23 Co1 C25 69.6(3) 6_565 6_565 ?
C24 Co1 Si1 122.9(2) . . ?
C24 Co1 Si1 122.9(2) 6_565 . ?
C24 Co1 Si2 119.66(19) 6_565 . ?
C24 Co1 Si2 119.66(19) . . ?
C24 Co1 C24 83.6(4) . 6_565 ?
C25 Co1 Si1 98.07(19) . . ?
C25 Co1 Si1 98.07(19) 6_565 . ?
C25 Co1 Si2 158.0(2) . . ?
C25 Co1 Si2 158.0(2) 6_565 . ?
C25 Co1 C24 39.2(3) . . ?
C25 Co1 C24 39.2(3) 6_565 6_565 ?
C25 Co1 C24 70.8(3) 6_565 . ?
C25 Co1 C24 70.8(3) . 6_565 ?
C25 Co1 C25 39.1(5) . 6_565 ?
Cl3 Co2 Cl4 117.75(7) . . ?
Cl3 Co2 Cl5 107.37(5) . 5_565 ?
Cl3 Co2 Cl5 107.37(5) . . ?
Cl4 Co2 Cl5 112.62(4) . . ?
Cl4 Co2 Cl5 112.62(4) . 5_565 ?
Cl5 Co2 Cl5 96.98(6) 5_565 . ?
Co2 Cl5 Co2 83.02(6) . 5_565 ?
Co1 Si1 C1 146.7(2) . . ?
Cl1 Si1 Co1 113.52(13) . . ?
Cl1 Si1 C1 99.8(2) . . ?
N1 Si1 Co1 132.3(2) 6_565 . ?
N1 Si1 Co1 132.3(2) . . ?
N1 Si1 Cl1 98.61(19) 6_565 . ?
N1 Si1 Cl1 98.61(19) . . ?
N1 Si1 N1 71.3(5) . 6_565 ?
Co1 Si2 C12 127.95(18) . . ?
Cl2 Si2 Co1 127.83(10) . . ?
Cl2 Si2 C12 104.22(19) . . ?
N2 Si2 Co1 120.46(14) . . ?
N2 Si2 Co1 120.46(14) 6_565 . ?
N2 Si2 Cl2 101.12(15) . . ?
N2 Si2 Cl2 101.12(15) 6_565 . ?
N2 Si2 N2 70.9(2) 6_565 . ?
C1 N1 Si1 90.9(5) . . ?
C1 N1 C8 131.9(5) . . ?
C8 N1 Si1 136.8(5) . . ?
C12 N2 Si2 91.2(3) . . ?
C12 N2 C19 130.7(4) . . ?
C19 N2 Si2 137.5(3) . . ?
N1 C1 Si1 53.5(4) 6_565 . ?
N1 C1 Si1 53.5(4) . . ?
N1 C1 N1 106.9(8) . 6_565 ?
N1 C1 C2 126.5(4) 6_565 . ?
N1 C1 C2 126.5(4) . . ?
C2 C1 Si1 175.3(6) . . ?
C3 C2 C1 121.6(8) . . ?
C7 C2 C1 119.8(8) . . ?
C7 C2 C3 118.5(8) . . ?
C4 C3 C2 117.6(9) . . ?
C5 C4 C3 121.0(9) . . ?
C6 C5 C4 120.3(9) . . ?
C5 C6 C7 121.9(10) . . ?
C6 C7 C2 120.7(10) . . ?
N1 C8 C9 110.8(6) . . ?
N1 C8 C10 111.9(9) . . ?
N1 C8 C11 106.8(7) . . ?
C10 C8 C9 110.7(9) . . ?
C10 C8 C11 107.9(7) . . ?
C11 C8 C9 108.6(8) . . ?
N2 C12 Si2 53.4(3) 6_565 . ?
N2 C12 Si2 53.4(3) . . ?
N2 C12 N2 106.8(5) . 6_565 ?
N2 C12 C13 126.6(3) . . ?
N2 C12 C13 126.6(3) 6_565 . ?
C13 C12 Si2 177.7(5) . . ?
C14 C13 C12 118.7(6) . . ?
C18 C13 C12 121.4(6) . . ?
C18 C13 C14 119.9(6) . . ?
C15 C14 C13 120.1(7) . . ?
C14 C15 C16 120.2(8) . . ?
C17 C16 C15 119.5(7) . . ?
C16 C17 C18 120.7(7) . . ?
C13 C18 C17 119.8(7) . . ?
N2 C19 C20 111.3(4) . . ?
N2 C19 C21 108.6(4) . . ?
N2 C19 C22 106.6(4) . . ?
C21 C19 C20 109.2(6) . . ?
C22 C19 C20 110.9(5) . . ?
C22 C19 C21 110.2(5) . . ?
C23 C23 Co1 70.49(19) 6_565 . ?
C24 C23 Co1 72.8(4) . . ?
C24 C23 C23 121.8(4) . 6_565 ?
C23 C24 Co1 69.3(4) . . ?
C23 C24 C25 117.6(7) . . ?
C25 C24 Co1 69.0(4) . . ?
C24 C25 Co1 71.8(4) . . ?
C25 C25 Co1 70.5(2) 6_565 . ?
C25 C25 C24 120.5(4) 6_565 . ?
C31 C26 C27 120.0 . . ?
C26 C31 C30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28A C29A C30A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C31A C26A C27A 120.0 . . ?
C26A C31A C30A 120.0 . . ?
C31A C30A C29A 120.0 . . ?
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 Si1 2.145(3) . ?
Co1 Si2 2.149(2) . ?
Co1 C23 2.099(6) . ?
Co1 C23 2.099(6) 6_565 ?
Co1 C24 2.143(7) 6_565 ?
Co1 C24 2.143(7) . ?
Co1 C25 2.107(6) . ?
Co1 C25 2.107(6) 6_565 ?
Co2 Cl3 2.2322(19) . ?
Co2 Cl4 2.3075(19) . ?
Co2 Cl5 2.3865(13) . ?
Co2 Cl5 2.3865(13) 5_565 ?
Cl1 Si1 2.123(3) . ?
Cl2 Si2 2.108(2) . ?
Cl5 Co2 2.3866(13) 5_565 ?
Si1 N1 1.835(7) . ?
Si1 N1 1.835(7) 6_565 ?
Si1 C1 2.283(9) . ?
Si2 N2 1.838(4) 6_565 ?
Si2 N2 1.838(4) . ?
Si2 C12 2.290(7) . ?
N1 C1 1.331(8) . ?
N1 C8 1.480(12) . ?
N2 C12 1.328(5) . ?
N2 C19 1.494(6) . ?
C1 N1 1.331(8) 6_565 ?
C1 C2 1.479(11) . ?
C2 C3 1.416(12) . ?
C2 C7 1.397(12) . ?
C3 C4 1.391(13) . ?
C4 C5 1.371(15) . ?
C5 C6 1.328(15) . ?
C6 C7 1.340(13) . ?
C8 C9 1.543(13) . ?
C8 C10 1.526(9) . ?
C8 C11 1.540(10) . ?
C12 N2 1.328(5) 6_565 ?
C12 C13 1.492(9) . ?
C13 C14 1.399(9) . ?
C13 C18 1.380(9) . ?
C14 C15 1.362(10) . ?
C15 C16 1.402(12) . ?
C16 C17 1.374(12) . ?
C17 C18 1.381(11) . ?
C19 C20 1.524(8) . ?
C19 C21 1.522(9) . ?
C19 C22 1.510(7) . ?
C23 C23 1.402(14) 6_565 ?
C23 C24 1.381(9) . ?
C24 C25 1.426(10) . ?
C25 C25 1.409(17) 6_565 ?
C26 C31 1.3900 . ?
C26 C27 1.3900 . ?
C31 C30 1.3900 . ?
C30 C29 1.3900 . ?
C29 C28 1.3900 . ?
C28 C27 1.3900 . ?
C29A C28A 1.3900 . ?
C29A C30A 1.3900 . ?
C28A C27A 1.3900 . ?
C27A C26A 1.3900 . ?
C26A C31A 1.3900 . ?
C31A C30A 1.3900 . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 310.4 44.4 ?
2 0.500 0.000 0.500 310.4 44.4 ?
