#------------------------------------------------------------------------------
#$Date: 2024-12-06 20:44:13 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296553 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/70/7717003.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_7717003
loop_
_publ_author_name
'Fan, Qingqing'
'Li, Qingshuang'
'Sun, Hongjian'
'Li, Xiaoyan'
_publ_section_title
;
 Dinitrogen silylation catalyzed by silylene cobalt(I) and silylene
 iron(I) chlorides.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16261
_journal_page_last               16270
_journal_paper_doi               10.1039/d4dt02057j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C44 H80 Cl3 Co N4 P2 Si2'
_chemical_formula_sum            'C44 H80 Cl3 Co N4 P2 Si2'
_chemical_formula_weight         948.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2024-06-28
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-06-28 deposited with the CCDC.	2024-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.3210(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.4451(2)
_cell_length_b                   10.29200(10)
_cell_length_c                   25.0566(3)
_cell_measurement_reflns_used    21194
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.1510
_cell_measurement_theta_min      3.6960
_cell_volume                     5249.99(10)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00 -23.00   0.50    0.50    --  -91.75  77.00   0.00  164
  2  ω    -56.00 -20.00   0.50    0.50    --  -91.75  57.00 -30.00   72
  3  ω    -64.00 -24.00   0.50    0.50    --  -91.75  57.00   0.00   80
  4  ω    -45.00 -20.00   0.50    0.50    --  -91.75  57.00  30.00   50
  5  ω    -66.00 -31.00   0.50    0.50    --  -91.75  57.00  60.00   70
  6  ω    -61.00 -19.00   0.50    0.50    --  -91.75  57.00-120.00   84
  7  ω    -66.00 -22.00   0.50    0.50    --  -91.75  57.00 -60.00   88
  8  ω   -121.00 -37.00   0.50    0.10    --  -48.42 -36.00  77.00  168
  9  ω   -121.00 -74.00   0.50    0.10    --  -48.42-125.00  30.00   94
 10  ω   -122.00 -95.00   0.50    0.50    --  -91.75 -36.00  77.00   54
 11  ω     55.00  80.00   0.50    0.10    --   48.42  36.00-126.00   50
 12  ω    113.00 141.00   0.50    0.50    --  106.65  36.00-126.00   56
 13  ω     92.00 173.00   0.50    0.50    --  106.65  57.00-120.00  162
 14  ω    129.00 170.00   0.50    0.50    --  106.65  38.00 -30.00   82
 15  ω     51.00 104.00   0.50    0.50    --  106.65 -77.00 120.00  106
 16  ω     34.00  66.00   0.50    0.50    --  106.65 -57.00 150.00   64
 17  ω     40.00  66.00   0.50    0.50    --  106.65 -57.00 120.00   52
 18  ω     37.00  63.00   0.50    0.50    --  106.65 -57.00  90.00   52
 19  ω     47.00 104.00   0.50    0.50    --  106.65 -77.00  60.00  114
 20  ω    -11.00  36.00   0.50    0.10    --   48.42 -36.00  77.00   94
 21  ω     34.00  66.00   0.50    0.50    --  106.65 -57.00-180.00   64
 22  ω     52.00  78.00   0.50    0.50    --  106.65-125.00 -30.00   52
 23  ω     86.00 111.00   0.50    0.50    --  106.65-125.00 -30.00   50
 24  ω    -39.00 -10.00   0.50    0.10    --  -48.42  36.00-126.00   58
 25  ω    -43.00  23.00   0.50    0.10    --  -48.42  38.00 -90.00  132
 26  ω    -24.00  26.00   0.50    0.10    --  -48.42  19.00  30.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39439
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.424
_diffrn_reflns_theta_min         3.668
_exptl_absorpt_coefficient_mu    5.221
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64414
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_description       block
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         10368
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0372
_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)+(0.0475P)²+3.3138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0973
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9403
_reflns_number_total             10368
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02057j2.cif
_cod_data_source_block           231108b_auto
_cod_depositor_comments
'Adding full bibliography for 7717003--7717006.cif.'
_cod_original_cell_volume        5249.98(10)
_cod_database_code               7717003
_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.
;
_shelx_estimated_absorpt_t_max   0.745
_shelx_estimated_absorpt_t_min   0.623
_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. Restrained distances
 C4-C3 \\sim C4-C3A \\sim C4-C2 \\sim C4-C2A \\sim C4-C1 \\sim C4-C1A
 with sigma of 0.02
 C3A-C1A \\sim C3A-C2A \\sim C2A-C1A
 with sigma of 0.02
 C3-C2 \\sim C3-C1 \\sim C2-C1
 with sigma of 0.02
 C5-C1 \\sim C5-C3 \\sim C5-C2
 with sigma of 0.02
 C5-C1A \\sim C5-C2A \\sim C5-C3A
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C3, C2, C1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C1A, C3A, C2A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Sof(C2A)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=
 Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=1-FVAR(1)
 Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(H2C)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C3)=
 Sof(H3A)=Sof(H3B)=Sof(H3C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C36(H36), C39(H39), C37(H37), C40(H40), C9(H9), C6(H6), C7(H7), C10(H10)
5.b Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C42(H42A,H42B,H42C), C23(H23A,H23B,H23C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C24(H24A,H24B,H24C), C21(H21A,H21B,H21C), C13(H13A,
 H13B,H13C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C27(H27A,H27B,H27C),
 C31(H31A,H31B,H31C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C30(H30A,H30B,
 H30C), C22(H22A,H22B,H22C), C32(H32A,H32B,H32C), C14(H14A,H14B,H14C), C12(H12A,
 H12B,H12C), C19(H19A,H19B,H19C), C17(H17A,H17B,H17C), C2(H2A,H2B,H2C), C1(H1A,
 H1B,H1C), C3(H3A,H3B,H3C), C2A(H2AA,H2AB,H2AC), C1A(H1AA,H1AB,H1AC), C3A(H3AA,
 H3AB,H3AC)
;
_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
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.73395(2) 0.49199(3) 0.48110(2) 0.01719(8) Uani 1 1 d . . . . .
Cl2 Cl 0.70470(2) 0.71663(4) 0.48206(2) 0.02162(10) Uani 1 1 d . . . . .
Cl3 Cl 0.68837(3) 0.30491(5) 0.34224(2) 0.03112(12) Uani 1 1 d . . . . .
P1 P 0.62793(2) 0.46405(5) 0.44260(2) 0.01962(11) Uani 1 1 d . . . . .
Cl1 Cl 0.82378(3) 0.32902(6) 0.62045(2) 0.03416(13) Uani 1 1 d . . . . .
Si1 Si 0.75606(3) 0.42428(5) 0.40678(2) 0.01977(12) Uani 1 1 d . . . . .
Si2 Si 0.73316(3) 0.38206(5) 0.55582(2) 0.01908(11) Uani 1 1 d . . . . .
P2 P 0.83442(3) 0.56557(6) 0.51778(2) 0.02706(12) Uani 1 1 d . . . . .
N3 N 0.68570(9) 0.41221(17) 0.60778(7) 0.0239(4) Uani 1 1 d . . . . .
N4 N 0.68544(8) 0.23344(16) 0.56349(7) 0.0216(3) Uani 1 1 d . . . . .
N1 N 0.78563(9) 0.51920(17) 0.35364(7) 0.0243(4) Uani 1 1 d . . . . .
N2 N 0.83119(9) 0.34578(18) 0.39607(7) 0.0264(4) Uani 1 1 d . . . . .
C36 C 0.54575(10) 0.2250(2) 0.58603(8) 0.0243(4) Uani 1 1 d . . . . .
H36 H 0.535293 0.255836 0.548515 0.029 Uiso 1 1 calc R U . . .
C39 C 0.57438(11) 0.1380(2) 0.69477(9) 0.0267(4) Uani 1 1 d . . . . .
H39 H 0.584668 0.109647 0.732639 0.032 Uiso 1 1 calc R U . . .
C8 C 0.87809(10) 0.4342(2) 0.32226(9) 0.0253(4) Uani 1 1 d . . . . .
C35 C 0.60954(10) 0.2370(2) 0.62204(8) 0.0224(4) Uani 1 1 d . . . . .
C37 C 0.49690(10) 0.1685(2) 0.60391(8) 0.0236(4) Uani 1 1 d . . . . .
H37 H 0.453591 0.161535 0.578427 0.028 Uiso 1 1 calc R U . . .
C40 C 0.62354(11) 0.1940(2) 0.67722(9) 0.0265(4) Uani 1 1 d . . . . .
H40 H 0.666664 0.202858 0.702847 0.032 Uiso 1 1 calc R U . . .
C38 C 0.51040(10) 0.12184(19) 0.65870(8) 0.0226(4) Uani 1 1 d . . . . .
C9 C 0.94059(11) 0.4856(2) 0.34368(9) 0.0285(5) Uani 1 1 d . . . . .
H9 H 0.955443 0.516284 0.381334 0.034 Uiso 1 1 calc R U . . .
C6 C 0.89840(11) 0.3972(2) 0.23453(9) 0.0307(5) Uani 1 1 d . . . . .
H6 H 0.883293 0.366335 0.196910 0.037 Uiso 1 1 calc R U . . .
C34 C 0.66053(10) 0.29369(19) 0.59988(8) 0.0211(4) Uani 1 1 d . . . . .
C11 C 0.83251(10) 0.4332(2) 0.35667(9) 0.0249(4) Uani 1 1 d . . . . .
C7 C 0.85724(11) 0.3886(2) 0.26755(9) 0.0301(5) Uani 1 1 d . . . . .
H7 H 0.814759 0.351363 0.252544 0.036 Uiso 1 1 calc R U . . .
C44 C 0.45918(10) 0.0531(2) 0.67951(9) 0.0245(4) Uani 1 1 d . . . . .
C28 C 0.72871(12) 0.0776(2) 0.51317(10) 0.0314(5) Uani 1 1 d . . . . .
H28A H 0.732831 -0.014464 0.504864 0.047 Uiso 1 1 calc R U . . .
H28B H 0.772548 0.115705 0.528937 0.047 Uiso 1 1 calc R U . . .
H28C H 0.704796 0.123367 0.478474 0.047 Uiso 1 1 calc R U . . .
C10 C 0.98184(11) 0.4928(2) 0.31081(10) 0.0287(5) Uani 1 1 d . . . . .
H10 H 1.024794 0.527550 0.326416 0.034 Uiso 1 1 calc R U . . .
C5 C 0.96118(10) 0.4499(2) 0.25515(9) 0.0259(4) Uani 1 1 d D . . . .
C42 C 0.39372(11) 0.0369(2) 0.63284(10) 0.0299(5) Uani 1 1 d . . . . .
H42A H 0.400613 -0.012645 0.601769 0.045 Uiso 1 1 calc R U . . .
H42B H 0.375792 0.122669 0.619244 0.045 Uiso 1 1 calc R U . . .
H42C H 0.362775 -0.009676 0.647559 0.045 Uiso 1 1 calc R U . . .
C23 C 0.57760(11) 0.5291(2) 0.48318(9) 0.0291(5) Uani 1 1 d . . . . .
H23A H 0.584479 0.477143 0.517338 0.044 Uiso 1 1 calc R U . . .
H23B H 0.531169 0.525491 0.460467 0.044 Uiso 1 1 calc R U . . .
H23C H 0.590144 0.619415 0.493505 0.044 Uiso 1 1 calc R U . . .
C25 C 0.58932(11) 0.5465(2) 0.37556(9) 0.0279(4) Uani 1 1 d . . . . .
H25A H 0.600024 0.639302 0.379590 0.042 Uiso 1 1 calc R U . . .
H25B H 0.541574 0.535344 0.364631 0.042 Uiso 1 1 calc R U . . .
H25C H 0.605706 0.509006 0.346570 0.042 Uiso 1 1 calc R U . . .
C29 C 0.69133(11) 0.09029(19) 0.55548(9) 0.0249(4) Uani 1 1 d . . . . .
C15 C 0.76482(10) 0.6352(2) 0.31700(9) 0.0262(4) Uani 1 1 d . . . . .
C33 C 0.67619(12) 0.5193(2) 0.64419(9) 0.0272(5) Uani 1 1 d . . . . .
C26 C 0.62526(12) 0.0205(2) 0.53292(10) 0.0319(5) Uani 1 1 d . . . . .
H26A H 0.597144 0.067315 0.500100 0.048 Uiso 1 1 calc R U . . .
H26B H 0.603904 0.017765 0.562208 0.048 Uiso 1 1 calc R U . . .
H26C H 0.632409 -0.068328 0.521999 0.048 Uiso 1 1 calc R U . . .
C24 C 0.59088(11) 0.3032(2) 0.42761(10) 0.0291(5) Uani 1 1 d . . . . .
H24A H 0.611456 0.255140 0.403824 0.044 Uiso 1 1 calc R U . . .
H24B H 0.543707 0.312063 0.408016 0.044 Uiso 1 1 calc R U . . .
H24C H 0.597555 0.256038 0.462945 0.044 Uiso 1 1 calc R U . . .
C4 C 1.00431(12) 0.4666(2) 0.21685(10) 0.0340(5) Uani 1 1 d D . . . .
C16 C 0.86151(13) 0.2140(2) 0.40523(11) 0.0361(5) Uani 1 1 d . . . . .
C21 C 0.85322(12) 0.6544(3) 0.58432(10) 0.0370(5) Uani 1 1 d . . . . .
H21A H 0.897934 0.689288 0.594312 0.056 Uiso 1 1 calc R U . . .
H21B H 0.849825 0.595363 0.613972 0.056 Uiso 1 1 calc R U . . .
H21C H 0.821954 0.726000 0.580261 0.056 Uiso 1 1 calc R U . . .
C13 C 0.72726(13) 0.7231(2) 0.34474(11) 0.0397(6) Uani 1 1 d . . . . .
H13A H 0.756635 0.752764 0.381121 0.060 Uiso 1 1 calc R U . . .
H13B H 0.690469 0.674852 0.350470 0.060 Uiso 1 1 calc R U . . .
H13C H 0.710393 0.798316 0.320540 0.060 Uiso 1 1 calc R U . . .
C41 C 0.48533(13) -0.0818(2) 0.70179(11) 0.0385(6) Uani 1 1 d . . . . .
H41A H 0.451920 -0.128385 0.713451 0.058 Uiso 1 1 calc R U . . .
H41B H 0.525211 -0.072205 0.734064 0.058 Uiso 1 1 calc R U . . .
H41C H 0.495546 -0.130863 0.672067 0.058 Uiso 1 1 calc R U . . .
C43 C 0.44736(13) 0.1314(3) 0.72762(10) 0.0364(5) Uani 1 1 d . . . . .
H43A H 0.431917 0.218744 0.714214 0.055 Uiso 1 1 calc R U . . .
H43B H 0.488484 0.137926 0.758843 0.055 Uiso 1 1 calc R U . . .
H43C H 0.414145 0.087533 0.740514 0.055 Uiso 1 1 calc R U . . .
C27 C 0.73130(14) 0.0273(2) 0.61123(11) 0.0381(6) Uani 1 1 d . . . . .
H27A H 0.739418 -0.064152 0.604789 0.057 Uiso 1 1 calc R U . . .
H27B H 0.706692 0.033085 0.638139 0.057 Uiso 1 1 calc R U . . .
H27C H 0.773324 0.072817 0.626367 0.057 Uiso 1 1 calc R U . . .
C31 C 0.71389(15) 0.4866(3) 0.70561(10) 0.0416(6) Uani 1 1 d . . . . .
H31A H 0.692699 0.413064 0.717840 0.062 Uiso 1 1 calc R U . . .
H31B H 0.713774 0.562187 0.729356 0.062 Uiso 1 1 calc R U . . .
H31C H 0.759287 0.463556 0.708882 0.062 Uiso 1 1 calc R U . . .
C18 C 0.93674(13) 0.2220(3) 0.42598(13) 0.0495(7) Uani 1 1 d . . . . .
H18A H 0.952124 0.259793 0.396468 0.074 Uiso 1 1 calc R U . . .
H18B H 0.955144 0.134595 0.435078 0.074 Uiso 1 1 calc R U . . .
H18C H 0.951009 0.276726 0.459650 0.074 Uiso 1 1 calc R U . . .
C20 C 0.90557(12) 0.4576(3) 0.53232(11) 0.0430(6) Uani 1 1 d . . . . .
H20A H 0.906797 0.417496 0.497190 0.064 Uiso 1 1 calc R U . . .
H20B H 0.902161 0.389689 0.558669 0.064 Uiso 1 1 calc R U . . .
H20C H 0.945859 0.507818 0.548877 0.064 Uiso 1 1 calc R U . . .
C30 C 0.60407(13) 0.5448(3) 0.63781(11) 0.0411(6) Uani 1 1 d . . . . .
H30A H 0.580168 0.564746 0.598437 0.062 Uiso 1 1 calc R U . . .
H30B H 0.600759 0.618500 0.661525 0.062 Uiso 1 1 calc R U . . .
H30C H 0.584980 0.467391 0.649379 0.062 Uiso 1 1 calc R U . . .
C22 C 0.86078(13) 0.6890(3) 0.47690(11) 0.0440(6) Uani 1 1 d . . . . .
H22A H 0.905417 0.717587 0.497664 0.066 Uiso 1 1 calc R U . . .
H22B H 0.830821 0.763428 0.470432 0.066 Uiso 1 1 calc R U . . .
H22C H 0.860234 0.652114 0.440694 0.066 Uiso 1 1 calc R U . . .
C32 C 0.70618(16) 0.6399(2) 0.62732(12) 0.0464(7) Uani 1 1 d . . . . .
H32A H 0.753533 0.627034 0.635451 0.070 Uiso 1 1 calc R U . . .
H32B H 0.698528 0.714814 0.648615 0.070 Uiso 1 1 calc R U . . .
H32C H 0.685837 0.655852 0.587008 0.070 Uiso 1 1 calc R U . . .
C14 C 0.82244(13) 0.7126(3) 0.30946(13) 0.0454(7) Uani 1 1 d . . . . .
H14A H 0.806273 0.794957 0.290516 0.068 Uiso 1 1 calc R U . . .
H14B H 0.843459 0.662171 0.286679 0.068 Uiso 1 1 calc R U . . .
H14C H 0.854468 0.730228 0.346366 0.068 Uiso 1 1 calc R U . . .
C12 C 0.71917(16) 0.5920(3) 0.26001(11) 0.0505(7) Uani 1 1 d . . . . .
H12A H 0.683675 0.538880 0.265337 0.076 Uiso 1 1 calc R U . . .
H12B H 0.743984 0.540790 0.240605 0.076 Uiso 1 1 calc R U . . .
H12C H 0.700460 0.668610 0.237391 0.076 Uiso 1 1 calc R U . . .
C19 C 0.83783(16) 0.1324(3) 0.35163(13) 0.0491(7) Uani 1 1 d . . . . .
H19A H 0.789701 0.130489 0.338318 0.074 Uiso 1 1 calc R U . . .
H19B H 0.854733 0.043627 0.359609 0.074 Uiso 1 1 calc R U . . .
H19C H 0.853871 0.170756 0.322607 0.074 Uiso 1 1 calc R U . . .
C17 C 0.83794(15) 0.1508(3) 0.45026(12) 0.0459(7) Uani 1 1 d . . . . .
H17A H 0.850038 0.205604 0.483944 0.069 Uiso 1 1 calc R U . . .
H17B H 0.858503 0.065207 0.459646 0.069 Uiso 1 1 calc R U . . .
H17C H 0.790091 0.140811 0.436216 0.069 Uiso 1 1 calc R U . . .
C2 C 1.0745(4) 0.4948(16) 0.2498(4) 0.062(3) Uani 0.57(2) 1 d D . P A 1
H2A H 1.077320 0.579653 0.268121 0.094 Uiso 0.57(2) 1 calc R U P A 1
H2B H 1.101119 0.495862 0.224316 0.094 Uiso 0.57(2) 1 calc R U P A 1
H2C H 1.090996 0.427360 0.278336 0.094 Uiso 0.57(2) 1 calc R U P A 1
C1 C 1.0012(6) 0.3433(8) 0.1819(5) 0.055(3) Uani 0.57(2) 1 d D . P A 1
H1A H 1.018244 0.269613 0.206983 0.083 Uiso 0.57(2) 1 calc R U P A 1
H1B H 1.027788 0.355243 0.156807 0.083 Uiso 0.57(2) 1 calc R U P A 1
H1C H 0.955501 0.326186 0.159435 0.083 Uiso 0.57(2) 1 calc R U P A 1
C3 C 0.9753(7) 0.5780(12) 0.1765(5) 0.073(3) Uani 0.57(2) 1 d D . P A 1
H3A H 0.930388 0.555771 0.153590 0.110 Uiso 0.57(2) 1 calc R U P A 1
H3B H 1.002241 0.592661 0.151908 0.110 Uiso 0.57(2) 1 calc R U P A 1
H3C H 0.974511 0.657145 0.198021 0.110 Uiso 0.57(2) 1 calc R U P A 1
C2A C 1.0759(5) 0.4319(19) 0.2486(6) 0.056(3) Uani 0.43(2) 1 d D . P A 2
H2AA H 1.092452 0.489610 0.281115 0.084 Uiso 0.43(2) 1 calc R U P A 2
H2AB H 1.102575 0.442363 0.223548 0.084 Uiso 0.43(2) 1 calc R U P A 2
H2AC H 1.078317 0.341583 0.261488 0.084 Uiso 0.43(2) 1 calc R U P A 2
C1A C 0.9809(10) 0.390(2) 0.1633(6) 0.088(6) Uani 0.43(2) 1 d D . P A 2
H1AA H 0.978734 0.297673 0.172191 0.133 Uiso 0.43(2) 1 calc R U P A 2
H1AB H 1.011584 0.401781 0.141808 0.133 Uiso 0.43(2) 1 calc R U P A 2
H1AC H 0.937206 0.420379 0.141007 0.133 Uiso 0.43(2) 1 calc R U P A 2
C3A C 1.0031(10) 0.6115(11) 0.2017(9) 0.077(5) Uani 0.43(2) 1 d D . P A 2
H3AA H 0.957846 0.638129 0.182005 0.116 Uiso 0.43(2) 1 calc R U P A 2
H3AB H 1.030357 0.625860 0.177369 0.116 Uiso 0.43(2) 1 calc R U P A 2
H3AC H 1.020370 0.662759 0.236193 0.116 Uiso 0.43(2) 1 calc R U P 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 0.0181 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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Co1 Cl2 83.83(2) . . ?
P1 Co1 Si2 91.30(2) . . ?
P1 Co1 P2 167.35(3) . . ?
Si1 Co1 Cl2 116.46(2) . . ?
Si1 Co1 P1 93.23(2) . . ?
Si1 Co1 Si2 128.90(2) . . ?
Si1 Co1 P2 91.12(2) . . ?
Si2 Co1 Cl2 114.63(2) . . ?
Si2 Co1 P2 95.20(2) . . ?
P2 Co1 Cl2 83.60(2) . . ?
C23 P1 Co1 114.82(8) . . ?
C23 P1 C25 99.50(10) . . ?
C25 P1 Co1 116.76(7) . . ?
C24 P1 Co1 122.30(8) . . ?
C24 P1 C23 98.72(11) . . ?
C24 P1 C25 100.93(11) . . ?
Co1 Si1 Cl3 122.81(3) . . ?
N1 Si1 Co1 129.88(6) . . ?
N1 Si1 Cl3 93.47(6) . . ?
N2 Si1 Co1 132.96(6) . . ?
N2 Si1 Cl3 92.99(6) . . ?
N2 Si1 N1 68.69(8) . . ?
Cl1 Si2 Co1 121.40(3) . . ?
N3 Si2 Co1 130.25(6) . . ?
N3 Si2 Cl1 94.37(6) . . ?
N4 Si2 Co1 131.04(6) . . ?
N4 Si2 Cl1 96.16(6) . . ?
N4 Si2 N3 68.90(7) . . ?
C21 P2 Co1 117.37(8) . . ?
C20 P2 Co1 121.43(10) . . ?
C20 P2 C21 100.99(12) . . ?
C20 P2 C22 98.51(13) . . ?
C22 P2 Co1 116.15(9) . . ?
C22 P2 C21 98.32(12) . . ?
C34 N3 Si2 91.61(12) . . ?
C34 N3 C33 130.37(17) . . ?
C33 N3 Si2 138.03(14) . . ?
C34 N4 Si2 92.24(12) . . ?
C34 N4 C29 127.80(16) . . ?
C29 N4 Si2 135.55(13) . . ?
C11 N1 Si1 91.75(13) . . ?
C11 N1 C15 130.37(17) . . ?
C15 N1 Si1 137.65(14) . . ?
C11 N2 Si1 91.94(13) . . ?
C11 N2 C16 127.89(17) . . ?
C16 N2 Si1 135.65(15) . . ?
C35 C36 H36 119.4 . . ?
C35 C36 C37 121.13(18) . . ?
C37 C36 H36 119.4 . . ?
C40 C39 H39 118.9 . . ?
C40 C39 C38 122.29(19) . . ?
C38 C39 H39 118.9 . . ?
C9 C8 C11 120.60(19) . . ?
C9 C8 C7 119.10(19) . . ?
C7 C8 C11 120.24(19) . . ?
C36 C35 C40 118.56(19) . . ?
C36 C35 C34 118.77(18) . . ?
C40 C35 C34 122.66(19) . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121.09(19) . . ?
C38 C37 H37 119.5 . . ?
C39 C40 C35 119.9(2) . . ?
C39 C40 H40 120.0 . . ?
C35 C40 H40 120.0 . . ?
C39 C38 C37 116.97(19) . . ?
C39 C38 C44 119.98(18) . . ?
C37 C38 C44 123.03(19) . . ?
C8 C9 H9 119.6 . . ?
C8 C9 C10 120.8(2) . . ?
C10 C9 H9 119.6 . . ?
C7 C6 H6 119.1 . . ?
C7 C6 C5 121.7(2) . . ?
C5 C6 H6 119.1 . . ?
N3 C34 N4 107.23(17) . . ?
N3 C34 C35 128.09(18) . . ?
N4 C34 C35 124.47(18) . . ?
N1 C11 N2 107.41(17) . . ?
N1 C11 C8 125.85(19) . . ?
N2 C11 C8 126.74(19) . . ?
C8 C7 C6 120.0(2) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C38 C44 C41 108.82(18) . . ?
C38 C44 C43 109.79(17) . . ?
C42 C44 C38 112.03(17) . . ?
C42 C44 C41 108.79(18) . . ?
C42 C44 C43 108.64(19) . . ?
C41 C44 C43 108.70(19) . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C5 121.0(2) . . ?
C5 C10 H10 119.5 . . ?
C6 C5 C10 117.42(19) . . ?
C6 C5 C4 120.90(19) . . ?
C10 C5 C4 121.6(2) . . ?
C44 C42 H42A 109.5 . . ?
C44 C42 H42B 109.5 . . ?
C44 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
P1 C23 H23A 109.5 . . ?
P1 C23 H23B 109.5 . . ?
P1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P1 C25 H25A 109.5 . . ?
P1 C25 H25B 109.5 . . ?
P1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N4 C29 C28 105.24(16) . . ?
N4 C29 C26 113.84(17) . . ?
N4 C29 C27 109.88(18) . . ?
C28 C29 C26 109.36(18) . . ?
C28 C29 C27 109.39(19) . . ?
C26 C29 C27 109.01(18) . . ?
N1 C15 C13 107.18(17) . . ?
N1 C15 C14 113.38(18) . . ?
N1 C15 C12 108.93(19) . . ?
C13 C15 C14 108.2(2) . . ?
C13 C15 C12 109.0(2) . . ?
C12 C15 C14 110.0(2) . . ?
N3 C33 C31 108.79(18) . . ?
N3 C33 C30 113.15(19) . . ?
N3 C33 C32 106.50(17) . . ?
C30 C33 C31 109.9(2) . . ?
C32 C33 C31 108.9(2) . . ?
C32 C33 C30 109.6(2) . . ?
C29 C26 H26A 109.5 . . ?
C29 C26 H26B 109.5 . . ?
C29 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
P1 C24 H24A 109.5 . . ?
P1 C24 H24B 109.5 . . ?
P1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C2 C4 C5 112.0(4) . . ?
C2 C4 C1 109.3(5) . . ?
C2 C4 C3 110.4(5) . . ?
C1 C4 C5 109.7(4) . . ?
C3 C4 C5 107.3(4) . . ?
C3 C4 C1 107.9(5) . . ?
C2A C4 C5 110.5(5) . . ?
C2A C4 C3A 106.9(6) . . ?
C1A C4 C5 113.7(6) . . ?
C1A C4 C2A 109.9(7) . . ?
C1A C4 C3A 108.3(7) . . ?
C3A C4 C5 107.2(5) . . ?
N2 C16 C18 111.4(2) . . ?
N2 C16 C19 110.9(2) . . ?
N2 C16 C17 105.85(18) . . ?
C19 C16 C18 110.5(2) . . ?
C17 C16 C18 109.3(2) . . ?
C17 C16 C19 108.7(2) . . ?
P2 C21 H21A 109.5 . . ?
P2 C21 H21B 109.5 . . ?
P2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C13 H13A 109.5 . . ?
C15 C13 H13B 109.5 . . ?
C15 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C44 C41 H41A 109.5 . . ?
C44 C41 H41B 109.5 . . ?
C44 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C29 C27 H27A 109.5 . . ?
C29 C27 H27B 109.5 . . ?
C29 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C31 H31A 109.5 . . ?
C33 C31 H31B 109.5 . . ?
C33 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P2 C20 H20A 109.5 . . ?
P2 C20 H20B 109.5 . . ?
P2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C33 C30 H30A 109.5 . . ?
C33 C30 H30B 109.5 . . ?
C33 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C22 H22A 109.5 . . ?
P2 C22 H22B 109.5 . . ?
P2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C12 H12A 109.5 . . ?
C15 C12 H12B 109.5 . . ?
C15 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C2A H2AA 109.5 . . ?
C4 C2A H2AB 109.5 . . ?
C4 C2A H2AC 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
C4 C1A H1AA 109.5 . . ?
C4 C1A H1AB 109.5 . . ?
C4 C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C4 C3A H3AA 109.5 . . ?
C4 C3A H3AB 109.5 . . ?
C4 C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 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 Cl2 2.3977(5) . ?
Co1 P1 2.1918(6) . ?
Co1 Si1 2.1754(6) . ?
Co1 Si2 2.1924(6) . ?
Co1 P2 2.1943(6) . ?
Cl3 Si1 2.1808(7) . ?
P1 C23 1.827(2) . ?
P1 C25 1.831(2) . ?
P1 C24 1.823(2) . ?
Cl1 Si2 2.1722(7) . ?
Si1 N1 1.9132(18) . ?
Si1 N2 1.8955(18) . ?
Si2 N3 1.9129(17) . ?
Si2 N4 1.8835(17) . ?
P2 C21 1.832(2) . ?
P2 C20 1.829(3) . ?
P2 C22 1.829(3) . ?
N3 C34 1.323(3) . ?
N3 C33 1.486(3) . ?
N4 C34 1.344(3) . ?
N4 C29 1.498(3) . ?
N1 C11 1.324(3) . ?
N1 C15 1.487(3) . ?
N2 C11 1.342(3) . ?
N2 C16 1.490(3) . ?
C36 H36 0.9500 . ?
C36 C35 1.387(3) . ?
C36 C37 1.390(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.388(3) . ?
C39 C38 1.396(3) . ?
C8 C9 1.383(3) . ?
C8 C11 1.493(3) . ?
C8 C7 1.384(3) . ?
C35 C40 1.392(3) . ?
C35 C34 1.492(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.396(3) . ?
C40 H40 0.9500 . ?
C38 C44 1.529(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(3) . ?
C6 C5 1.391(3) . ?
C7 H7 0.9500 . ?
C44 C42 1.528(3) . ?
C44 C41 1.535(3) . ?
C44 C43 1.536(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C29 1.522(3) . ?
C10 H10 0.9500 . ?
C10 C5 1.396(3) . ?
C5 C4 1.537(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C29 C26 1.529(3) . ?
C29 C27 1.534(3) . ?
C15 C13 1.517(3) . ?
C15 C14 1.531(3) . ?
C15 C12 1.522(3) . ?
C33 C31 1.534(3) . ?
C33 C30 1.527(3) . ?
C33 C32 1.518(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C4 C2 1.500(8) . ?
C4 C1 1.531(7) . ?
C4 C3 1.527(7) . ?
C4 C2A 1.532(9) . ?
C4 C1A 1.500(9) . ?
C4 C3A 1.537(9) . ?
C16 C18 1.534(4) . ?
C16 C19 1.529(4) . ?
C16 C17 1.520(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2A H2AA 0.9800 . ?
C2A H2AB 0.9800 . ?
C2A H2AC 0.9800 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 Si1 N2 C11 -128.20(12) . . . . ?
Co1 Si1 N2 C16 75.8(2) . . . . ?
Co1 Si2 N4 C34 -124.51(11) . . . . ?
Co1 Si2 N4 C29 79.2(2) . . . . ?
Cl3 Si1 N2 C11 89.62(12) . . . . ?
Cl3 Si1 N2 C16 -66.4(2) . . . . ?
Cl1 Si2 N4 C34 93.42(11) . . . . ?
Cl1 Si2 N4 C29 -62.88(19) . . . . ?
Si1 N1 C11 N2 -4.11(17) . . . . ?
Si1 N1 C11 C8 175.78(19) . . . . ?
Si1 N1 C15 C13 27.1(3) . . . . ?
Si1 N1 C15 C14 146.4(2) . . . . ?
Si1 N1 C15 C12 -90.7(3) . . . . ?
Si1 N2 C11 N1 4.15(17) . . . . ?
Si1 N2 C11 C8 -175.7(2) . . . . ?
Si1 N2 C16 C18 -142.83(19) . . . . ?
Si1 N2 C16 C19 93.6(2) . . . . ?
Si1 N2 C16 C17 -24.1(3) . . . . ?
Si2 N3 C34 N4 1.53(16) . . . . ?
Si2 N3 C34 C35 -173.40(19) . . . . ?
Si2 N3 C33 C31 -106.7(2) . . . . ?
Si2 N3 C33 C30 130.9(2) . . . . ?
Si2 N3 C33 C32 10.5(3) . . . . ?
Si2 N4 C34 N3 -1.55(16) . . . . ?
Si2 N4 C34 C35 173.60(17) . . . . ?
Si2 N4 C29 C28 -25.3(3) . . . . ?
Si2 N4 C29 C26 -145.05(17) . . . . ?
Si2 N4 C29 C27 92.4(2) . . . . ?
N3 Si2 N4 C34 1.10(12) . . . . ?
N3 Si2 N4 C29 -155.2(2) . . . . ?
N1 Si1 N2 C11 -2.94(12) . . . . ?
N1 Si1 N2 C16 -159.0(2) . . . . ?
C36 C35 C40 C39 1.3(3) . . . . ?
C36 C35 C34 N3 103.0(3) . . . . ?
C36 C35 C34 N4 -71.1(3) . . . . ?
C36 C37 C38 C39 1.8(3) . . . . ?
C36 C37 C38 C44 -176.97(19) . . . . ?
C39 C38 C44 C42 -176.08(19) . . . . ?
C39 C38 C44 C41 -55.7(3) . . . . ?
C39 C38 C44 C43 63.1(3) . . . . ?
C8 C9 C10 C5 0.7(3) . . . . ?
C35 C36 C37 C38 -0.1(3) . . . . ?
C37 C36 C35 C40 -1.5(3) . . . . ?
C37 C36 C35 C34 177.61(19) . . . . ?
C37 C38 C44 C42 2.6(3) . . . . ?
C37 C38 C44 C41 123.0(2) . . . . ?
C37 C38 C44 C43 -118.2(2) . . . . ?
C40 C39 C38 C37 -2.0(3) . . . . ?
C40 C39 C38 C44 176.8(2) . . . . ?
C40 C35 C34 N3 -77.9(3) . . . . ?
C40 C35 C34 N4 107.9(2) . . . . ?
C38 C39 C40 C35 0.4(3) . . . . ?
C9 C8 C11 N1 97.8(3) . . . . ?
C9 C8 C11 N2 -82.4(3) . . . . ?
C9 C8 C7 C6 -1.3(3) . . . . ?
C9 C10 C5 C6 -1.4(3) . . . . ?
C9 C10 C5 C4 175.4(2) . . . . ?
C6 C5 C4 C2 -166.6(7) . . . . ?
C6 C5 C4 C1 -44.9(6) . . . . ?
C6 C5 C4 C3 72.1(8) . . . . ?
C6 C5 C4 C2A -140.1(8) . . . . ?
C6 C5 C4 C1A -15.9(12) . . . . ?
C6 C5 C4 C3A 103.8(10) . . . . ?
C34 N3 C33 C31 73.9(3) . . . . ?
C34 N3 C33 C30 -48.5(3) . . . . ?
C34 N3 C33 C32 -168.9(2) . . . . ?
C34 N4 C29 C28 -174.8(2) . . . . ?
C34 N4 C29 C26 65.5(3) . . . . ?
C34 N4 C29 C27 -57.1(3) . . . . ?
C34 C35 C40 C39 -177.8(2) . . . . ?
C11 N1 C15 C13 -160.0(2) . . . . ?
C11 N1 C15 C14 -40.7(3) . . . . ?
C11 N1 C15 C12 82.1(3) . . . . ?
C11 N2 C16 C18 68.1(3) . . . . ?
C11 N2 C16 C19 -55.4(3) . . . . ?
C11 N2 C16 C17 -173.1(2) . . . . ?
C11 C8 C9 C10 -176.6(2) . . . . ?
C11 C8 C7 C6 176.0(2) . . . . ?
C7 C8 C9 C10 0.6(3) . . . . ?
C7 C8 C11 N1 -79.5(3) . . . . ?
C7 C8 C11 N2 100.4(3) . . . . ?
C7 C6 C5 C10 0.7(3) . . . . ?
C7 C6 C5 C4 -176.1(2) . . . . ?
C10 C5 C4 C2 16.8(8) . . . . ?
C10 C5 C4 C1 138.5(6) . . . . ?
C10 C5 C4 C3 -104.5(8) . . . . ?
C10 C5 C4 C2A 43.3(9) . . . . ?
C10 C5 C4 C1A 167.5(12) . . . . ?
C10 C5 C4 C3A -72.8(10) . . . . ?
C5 C6 C7 C8 0.6(4) . . . . ?
C29 N4 C34 N3 157.58(19) . . . . ?
C29 N4 C34 C35 -27.3(3) . . . . ?
C15 N1 C11 N2 -179.3(2) . . . . ?
C15 N1 C11 C8 0.6(4) . . . . ?
C33 N3 C34 N4 -178.9(2) . . . . ?
C33 N3 C34 C35 6.2(4) . . . . ?
C16 N2 C11 N1 163.1(2) . . . . ?
C16 N2 C11 C8 -16.8(4) . . . . ?
