#------------------------------------------------------------------------------
#$Date: 2022-02-19 01:59:24 +0200 (Sat, 19 Feb 2022) $
#$Revision: 273037 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/95/7709571.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_7709571
loop_
_publ_author_name
'Yin, Zhu-Bao'
'Wei, Junnian'
'Xi, Zhenfeng'
_publ_section_title
;
 Trisyl-based multidentate ligands: synthesis and their transition-metal
 complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00049K
_journal_year                    2022
_chemical_formula_moiety         'C38 H94 Cl2 Co2 N4 Si6'
_chemical_formula_sum            'C38 H94 Cl2 Co2 N4 Si6'
_chemical_formula_weight         964.47
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2021-12-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-12-02 deposited with the CCDC.	2022-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                100.857(5)
_cell_angle_beta                 92.800(5)
_cell_angle_gamma                99.344(5)
_cell_formula_units_Z            1
_cell_length_a                   9.0540(6)
_cell_length_b                   12.2175(7)
_cell_length_c                   12.6523(8)
_cell_measurement_reflns_used    6480
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      29.6620
_cell_measurement_theta_min      3.0940
_cell_volume                     1351.71(15)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  42.00   0.50    2.00    --    2.00  77.00   0.00  138
  2  ω     48.00  90.00   0.50    2.00    --    2.00  77.00   0.00   84
  3  ω    -84.00 -28.00   0.50    2.00    --    2.00 -37.00   0.00  112
  4  ω    -87.00  -6.00   0.50    2.00    --    2.00 -57.00-180.00  162
  5  ω     56.00  88.00   0.50    2.00    --    2.00  37.00-150.00   64
  6  ω    -20.00  30.00   0.50    2.00    --    2.00  57.00-180.00  100
  7  ω     -5.00  24.00   0.50    2.00    --    2.00 -57.00 -60.00   58
  8  ω     20.00  91.00   0.50    2.00    --    2.00  19.00 -90.00  142
  9  ω     19.00  73.00   0.50    2.00    --    2.00  57.00 120.00  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0062826000
_diffrn_orient_matrix_UB_12      0.0179126000
_diffrn_orient_matrix_UB_13      0.0569640000
_diffrn_orient_matrix_UB_21      -0.0223785000
_diffrn_orient_matrix_UB_22      -0.0568520000
_diffrn_orient_matrix_UB_23      0.0056636000
_diffrn_orient_matrix_UB_31      0.0761961000
_diffrn_orient_matrix_UB_32      -0.0071952000
_diffrn_orient_matrix_UB_33      0.0018752000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24454
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.609
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.269
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         6194
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0678
_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)+(0.0749P)²+3.3627P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1819
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4972
_reflns_number_total             6194
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00049k2.cif
_cod_data_source_block           exp_6928
_cod_database_code               7709571
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'C H N Si Co Cl'
_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   0.918
_shelx_estimated_absorpt_t_min   0.918
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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.a Ternary CH refined with riding coordinates:
 C14(H14), C17(H17)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B), C13(H13A,H13B)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,
 H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,
 H11C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,
 H19B,H19C)
;
_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 1.534
_oxdiff_exptl_absorpt_empirical_full_min 0.604
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 0.53078(6) 0.42328(4) 0.37996(4) 0.03262(16) Uani 1 1 d . . . . .
Cl1 Cl 0.37190(11) 0.55251(9) 0.43873(8) 0.0402(2) Uani 1 1 d . . . . .
Si1 Si 0.26273(13) 0.24700(10) 0.22403(10) 0.0407(3) Uani 1 1 d . . . . .
Si2 Si 0.50810(13) 0.16013(9) 0.35133(10) 0.0380(3) Uani 1 1 d . . . . .
Si3 Si 0.59659(13) 0.28631(10) 0.16651(9) 0.0397(3) Uani 1 1 d . . . . .
N1 N 0.6962(4) 0.5046(3) 0.2982(3) 0.0455(9) Uani 1 1 d . . . . .
N2 N 0.9378(4) 0.7083(3) 0.2508(3) 0.0394(8) Uani 1 1 d . . . . .
C1 C 0.2073(6) 0.3730(5) 0.1779(5) 0.0663(15) Uani 1 1 d . . . . .
H1A H 0.2252 0.4370 0.2369 0.099 Uiso 1 1 calc GR . . . .
H1B H 0.1026 0.3565 0.1533 0.099 Uiso 1 1 calc GR . . . .
H1C H 0.2657 0.3901 0.1199 0.099 Uiso 1 1 calc GR . . . .
C2 C 0.1318(5) 0.2247(6) 0.3290(5) 0.0663(15) Uani 1 1 d . . . . .
H2A H 0.1488 0.1598 0.3574 0.100 Uiso 1 1 calc GR . . . .
H2B H 0.0302 0.2122 0.2978 0.100 Uiso 1 1 calc GR . . . .
H2C H 0.1484 0.2903 0.3862 0.100 Uiso 1 1 calc GR . . . .
C3 C 0.2030(7) 0.1224(5) 0.1085(5) 0.0725(17) Uani 1 1 d . . . . .
H3A H 0.2639 0.1315 0.0497 0.109 Uiso 1 1 calc GR . . . .
H3B H 0.0995 0.1185 0.0851 0.109 Uiso 1 1 calc GR . . . .
H3C H 0.2153 0.0539 0.1320 0.109 Uiso 1 1 calc GR . . . .
C4 C 0.4656(4) 0.2692(3) 0.2745(3) 0.0315(7) Uani 1 1 d . . . . .
C5 C 0.4096(6) 0.1613(5) 0.4794(4) 0.0541(12) Uani 1 1 d . . . . .
H5A H 0.4334 0.2354 0.5244 0.081 Uiso 1 1 calc GR . . . .
H5B H 0.4423 0.1072 0.5172 0.081 Uiso 1 1 calc GR . . . .
H5C H 0.3031 0.1418 0.4618 0.081 Uiso 1 1 calc GR . . . .
C6 C 0.7118(5) 0.1811(4) 0.4000(4) 0.0535(12) Uani 1 1 d . . . . .
H6A H 0.7712 0.1735 0.3391 0.080 Uiso 1 1 calc GR . . . .
H6B H 0.7267 0.1253 0.4418 0.080 Uiso 1 1 calc GR . . . .
H6C H 0.7416 0.2554 0.4441 0.080 Uiso 1 1 calc GR . . . .
C7 C 0.4555(6) 0.0111(4) 0.2722(5) 0.0589(13) Uani 1 1 d . . . . .
H7A H 0.3483 -0.0080 0.2585 0.088 Uiso 1 1 calc GR . . . .
H7B H 0.4903 -0.0400 0.3129 0.088 Uiso 1 1 calc GR . . . .
H7C H 0.5010 0.0050 0.2049 0.088 Uiso 1 1 calc GR . . . .
C8 C 0.5182(7) 0.3205(6) 0.0383(4) 0.0679(15) Uani 1 1 d . . . . .
H8A H 0.4477 0.2564 -0.0003 0.102 Uiso 1 1 calc GR . . . .
H8B H 0.5985 0.3380 -0.0059 0.102 Uiso 1 1 calc GR . . . .
H8C H 0.4684 0.3845 0.0557 0.102 Uiso 1 1 calc GR . . . .
C9 C 0.6936(6) 0.1653(5) 0.1121(5) 0.0651(15) Uani 1 1 d . . . . .
H9A H 0.7430 0.1421 0.1709 0.098 Uiso 1 1 calc GR . . . .
H9B H 0.7665 0.1889 0.0647 0.098 Uiso 1 1 calc GR . . . .
H9C H 0.6209 0.1030 0.0730 0.098 Uiso 1 1 calc GR . . . .
C10 C 0.7529(5) 0.4068(4) 0.2297(4) 0.0458(10) Uani 1 1 d . . . . .
H10A H 0.8225 0.3787 0.2743 0.055 Uiso 1 1 calc R . . . .
H10B H 0.8074 0.4339 0.1729 0.055 Uiso 1 1 calc R . . . .
C11 C 0.6193(6) 0.5684(4) 0.2293(4) 0.0567(12) Uani 1 1 d . . . . .
H11A H 0.5377 0.5180 0.1851 0.085 Uiso 1 1 calc GR . . . .
H11B H 0.6896 0.6002 0.1841 0.085 Uiso 1 1 calc GR . . . .
H11C H 0.5813 0.6281 0.2745 0.085 Uiso 1 1 calc GR . . . .
C12 C 0.8156(5) 0.5814(4) 0.3728(4) 0.0494(11) Uani 1 1 d . . . . .
H12A H 0.8458 0.5405 0.4264 0.059 Uiso 1 1 calc R . . . .
H12B H 0.7717 0.6435 0.4104 0.059 Uiso 1 1 calc R . . . .
C13 C 0.9576(5) 0.6325(4) 0.3270(4) 0.0469(10) Uani 1 1 d . . . . .
H13A H 1.0275 0.6746 0.3869 0.056 Uiso 1 1 calc R . . . .
H13B H 1.0035 0.5710 0.2904 0.056 Uiso 1 1 calc R . . . .
C14 C 0.8856(6) 0.8143(4) 0.2972(4) 0.0504(11) Uani 1 1 d . . . . .
H14 H 0.8026 0.7930 0.3403 0.060 Uiso 1 1 calc R . . . .
C15 C 0.8208(8) 0.8664(6) 0.2105(6) 0.0753(17) Uani 1 1 d . . . . .
H15A H 0.9002 0.8965 0.1709 0.113 Uiso 1 1 calc GR . . . .
H15B H 0.7709 0.9263 0.2432 0.113 Uiso 1 1 calc GR . . . .
H15C H 0.7500 0.8097 0.1623 0.113 Uiso 1 1 calc GR . . . .
C16 C 1.0014(9) 0.9008(5) 0.3734(5) 0.0788(19) Uani 1 1 d . . . . .
H16A H 1.0395 0.8661 0.4286 0.118 Uiso 1 1 calc GR . . . .
H16B H 0.9555 0.9629 0.4061 0.118 Uiso 1 1 calc GR . . . .
H16C H 1.0825 0.9280 0.3337 0.118 Uiso 1 1 calc GR . . . .
C17 C 1.0680(5) 0.7228(4) 0.1865(4) 0.0464(10) Uani 1 1 d . . . . .
H17 H 1.0698 0.7941 0.1614 0.056 Uiso 1 1 calc R . . . .
C18 C 1.0447(8) 0.6273(6) 0.0862(5) 0.0718(16) Uani 1 1 d . . . . .
H18A H 1.0527 0.5570 0.1075 0.108 Uiso 1 1 calc GR . . . .
H18B H 1.1199 0.6433 0.0377 0.108 Uiso 1 1 calc GR . . . .
H18C H 0.9469 0.6219 0.0506 0.108 Uiso 1 1 calc GR . . . .
C19 C 1.2238(6) 0.7270(5) 0.2423(5) 0.0627(14) Uani 1 1 d . . . . .
H19A H 1.2312 0.6539 0.2576 0.094 Uiso 1 1 calc GR . . . .
H19B H 1.2380 0.7822 0.3085 0.094 Uiso 1 1 calc GR . . . .
H19C H 1.2996 0.7473 0.1956 0.094 Uiso 1 1 calc GR . . . .
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
Cl1 Co1 Cl1 88.41(4) . 2_666 ?
N1 Co1 Cl1 107.39(11) . . ?
N1 Co1 Cl1 107.31(12) . 2_666 ?
C4 Co1 Cl1 125.31(11) . 2_666 ?
C4 Co1 Cl1 125.38(10) . . ?
C4 Co1 N1 101.62(14) . . ?
Co1 Cl1 Co1 91.59(4) . 2_666 ?
C1 Si1 C3 106.4(3) . . ?
C2 Si1 C1 102.3(3) . . ?
C2 Si1 C3 105.7(3) . . ?
C2 Si1 C4 113.6(2) . . ?
C4 Si1 C1 113.5(2) . . ?
C4 Si1 C3 114.3(2) . . ?
C4 Si2 C5 114.06(19) . . ?
C4 Si2 C6 112.8(2) . . ?
C4 Si2 C7 113.6(2) . . ?
C6 Si2 C5 103.2(2) . . ?
C6 Si2 C7 107.0(2) . . ?
C7 Si2 C5 105.3(3) . . ?
C4 Si3 C8 117.4(2) . . ?
C4 Si3 C9 118.4(2) . . ?
C4 Si3 C10 105.70(18) . . ?
C8 Si3 C10 107.8(3) . . ?
C9 Si3 C8 101.5(3) . . ?
C9 Si3 C10 105.1(2) . . ?
C10 N1 Co1 102.9(3) . . ?
C11 N1 Co1 106.8(3) . . ?
C11 N1 C10 111.0(4) . . ?
C12 N1 Co1 112.2(3) . . ?
C12 N1 C10 112.8(4) . . ?
C12 N1 C11 110.8(4) . . ?
C14 N2 C13 115.5(4) . . ?
C17 N2 C13 111.2(3) . . ?
C17 N2 C14 114.8(3) . . ?
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 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 Co1 111.56(17) . . ?
Si2 C4 Co1 105.55(19) . . ?
Si2 C4 Si1 112.82(19) . . ?
Si2 C4 Si3 112.17(18) . . ?
Si3 C4 Co1 100.68(17) . . ?
Si3 C4 Si1 113.2(2) . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.0 . . ?
Si3 C10 H10B 109.0 . . ?
N1 C10 Si3 112.9(3) . . ?
N1 C10 H10A 109.0 . . ?
N1 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 107.6 . . ?
N1 C12 H12B 107.6 . . ?
N1 C12 C13 118.9(4) . . ?
H12A C12 H12B 107.0 . . ?
C13 C12 H12A 107.6 . . ?
C13 C12 H12B 107.6 . . ?
N2 C13 C12 116.3(4) . . ?
N2 C13 H13A 108.2 . . ?
N2 C13 H13B 108.2 . . ?
C12 C13 H13A 108.2 . . ?
C12 C13 H13B 108.2 . . ?
H13A C13 H13B 107.4 . . ?
N2 C14 H14 106.3 . . ?
N2 C14 C15 111.6(4) . . ?
N2 C14 C16 114.8(4) . . ?
C15 C14 H14 106.3 . . ?
C15 C14 C16 111.0(5) . . ?
C16 C14 H14 106.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17 107.3 . . ?
N2 C17 C18 109.0(4) . . ?
N2 C17 C19 117.6(4) . . ?
C18 C17 H17 107.3 . . ?
C18 C17 C19 107.8(4) . . ?
C19 C17 H17 107.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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 Cl1 2.3484(10) . ?
Co1 Cl1 2.3640(12) 2_666 ?
Co1 N1 2.087(4) . ?
Co1 C4 2.071(4) . ?
Cl1 Co1 2.3640(11) 2_666 ?
Si1 C1 1.878(6) . ?
Si1 C2 1.852(5) . ?
Si1 C3 1.887(5) . ?
Si1 C4 1.874(4) . ?
Si2 C4 1.868(4) . ?
Si2 C5 1.886(5) . ?
Si2 C6 1.876(5) . ?
Si2 C7 1.879(5) . ?
Si3 C4 1.871(4) . ?
Si3 C8 1.884(6) . ?
Si3 C9 1.879(5) . ?
Si3 C10 1.892(4) . ?
N1 C10 1.515(5) . ?
N1 C11 1.491(7) . ?
N1 C12 1.475(6) . ?
N2 C13 1.481(6) . ?
N2 C14 1.477(6) . ?
N2 C17 1.471(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.524(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14 0.9800 . ?
C14 C15 1.508(8) . ?
C14 C16 1.518(8) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17 0.9800 . ?
C17 C18 1.534(8) . ?
C17 C19 1.535(7) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
