#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:20:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179056 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/18/4301842.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_4301842
loop_
_publ_author_name
'Wayne A. Chomitz'
'John Arnold'
_publ_section_title
;
Substitution and Reaction Chemistry of Cobalt Complexes Supported by [N2P2]
Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3274
_journal_page_last               3286
_journal_paper_doi               10.1021/ic802337t
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C26 H62 Co N2 P2 Si2'
_chemical_formula_sum            'C26 H62 Co N2 P2 Si2'
_chemical_formula_weight         579.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.3500(10)
_cell_angle_beta                 99.4850(10)
_cell_angle_gamma                103.8940(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6829(5)
_cell_length_b                   9.8323(6)
_cell_length_c                   21.6331(12)
_cell_measurement_reflns_used    5480
_cell_measurement_temperature    262(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.2
_cell_volume                     1735.09(17)
_computing_cell_refinement       'Bruker SAINT v7.07'
_computing_data_collection       'Bruker SMART v5.631'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      262(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0142
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11180
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            lime-green
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             634
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.330
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.330
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                5916
_reflns_number_total             6891
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802337t_si_002.cif
_cod_data_source_block           wac6068xs
_cod_database_code               4301842
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.41164(3) 0.05729(3) -0.218619(13) 0.02298(11) Uani 1 1 d . . .
Si1 Si -0.50607(7) 0.00229(6) -0.34645(3) 0.02526(15) Uani 1 1 d . . .
Si2 Si -0.10498(8) 0.29758(7) -0.11196(3) 0.03175(17) Uani 1 1 d . . .
P1 P -0.52581(7) -0.12991(6) -0.16553(3) 0.02460(14) Uani 1 1 d . . .
P2 P -0.11215(7) -0.30478(6) -0.37688(3) 0.02414(14) Uani 1 1 d . . .
N1 N -0.5548(2) 0.10194(19) -0.28592(9) 0.0263(4) Uani 1 1 d . . .
N2 N -0.4454(2) -0.12200(18) -0.30140(8) 0.0224(4) Uani 1 1 d . . .
C1 C -0.6468(3) 0.2093(2) -0.28736(11) 0.0319(5) Uani 1 1 d . . .
C2 C -0.5881(3) 0.3152(3) -0.32928(15) 0.0470(7) Uani 1 1 d . . .
H2A H -0.4747 0.3614 -0.3135 0.070 Uiso 1 1 calc R . .
H2B H -0.6479 0.3856 -0.3282 0.070 Uiso 1 1 calc R . .
H2C H -0.6048 0.2652 -0.3724 0.070 Uiso 1 1 calc R . .
C3 C -0.6227(4) 0.2912(3) -0.21936(14) 0.0521(8) Uani 1 1 d . . .
H3A H -0.5093 0.3359 -0.2028 0.078 Uiso 1 1 calc R . .
H3B H -0.6631 0.2263 -0.1929 0.078 Uiso 1 1 calc R . .
H3C H -0.6807 0.3630 -0.2196 0.078 Uiso 1 1 calc R . .
C4 C -0.8276(3) 0.1379(3) -0.31388(14) 0.0440(7) Uani 1 1 d . . .
H4A H -0.8671 0.0707 -0.2883 0.066 Uiso 1 1 calc R . .
H4B H -0.8429 0.0889 -0.3571 0.066 Uiso 1 1 calc R . .
H4C H -0.8861 0.2093 -0.3129 0.066 Uiso 1 1 calc R . .
C5 C -0.6688(3) -0.0929(3) -0.41834(11) 0.0388(6) Uani 1 1 d . . .
H5A H -0.6323 -0.0715 -0.4563 0.058 Uiso 1 1 calc R . .
H5B H -0.7648 -0.0621 -0.4158 0.058 Uiso 1 1 calc R . .
H5C H -0.6928 -0.1940 -0.4198 0.058 Uiso 1 1 calc R . .
C6 C -0.3287(3) 0.0928(3) -0.37834(12) 0.0359(5) Uani 1 1 d . . .
H6A H -0.3574 0.0758 -0.4241 0.054 Uiso 1 1 calc R . .
H6B H -0.2386 0.0554 -0.3654 0.054 Uiso 1 1 calc R . .
H6C H -0.2993 0.1937 -0.3618 0.054 Uiso 1 1 calc R . .
C7 C -0.5839(3) -0.2390(2) -0.29616(10) 0.0254(4) Uani 1 1 d . . .
H7A H -0.5961 -0.3211 -0.3292 0.031 Uiso 1 1 calc R . .
H7B H -0.6825 -0.2084 -0.3037 0.031 Uiso 1 1 calc R . .
C8 C -0.5639(3) -0.2842(2) -0.23070(10) 0.0281(5) Uani 1 1 d . . .
H8A H -0.4740 -0.3269 -0.2253 0.034 Uiso 1 1 calc R . .
H8B H -0.6614 -0.3552 -0.2290 0.034 Uiso 1 1 calc R . .
C9 C -0.7228(3) -0.1454(3) -0.14097(11) 0.0305(5) Uani 1 1 d . . .
H9A H -0.7622 -0.2418 -0.1327 0.037 Uiso 1 1 calc R . .
C10 C -0.8479(3) -0.1218(3) -0.19399(13) 0.0417(6) Uani 1 1 d . . .
H10A H -0.9491 -0.1303 -0.1805 0.062 Uiso 1 1 calc R . .
H10B H -0.8631 -0.1922 -0.2318 0.062 Uiso 1 1 calc R . .
H10C H -0.8100 -0.0282 -0.2030 0.062 Uiso 1 1 calc R . .
C11 C -0.7009(4) -0.0373(4) -0.07951(13) 0.0504(7) Uani 1 1 d . . .
H11A H -0.8035 -0.0460 -0.0671 0.076 Uiso 1 1 calc R . .
H11B H -0.6601 0.0576 -0.0867 0.076 Uiso 1 1 calc R . .
H11C H -0.6254 -0.0556 -0.0462 0.076 Uiso 1 1 calc R . .
C12 C -0.3966(3) -0.1738(3) -0.09801(11) 0.0328(5) Uani 1 1 d . . .
H12A H -0.3820 -0.0986 -0.0607 0.039 Uiso 1 1 calc R . .
C13 C -0.4722(3) -0.3159(3) -0.07961(14) 0.0470(7) Uani 1 1 d . . .
H13A H -0.3992 -0.3315 -0.0446 0.071 Uiso 1 1 calc R . .
H13B H -0.4922 -0.3923 -0.1155 0.071 Uiso 1 1 calc R . .
H13C H -0.5727 -0.3130 -0.0672 0.071 Uiso 1 1 calc R . .
C14 C -0.2289(3) -0.1678(3) -0.11174(14) 0.0440(6) Uani 1 1 d . . .
H14A H -0.1634 -0.1906 -0.0765 0.066 Uiso 1 1 calc R . .
H14B H -0.1787 -0.0735 -0.1175 0.066 Uiso 1 1 calc R . .
H14C H -0.2388 -0.2356 -0.1499 0.066 Uiso 1 1 calc R . .
C15 C -0.2979(3) -0.1679(2) -0.30794(10) 0.0248(4) Uani 1 1 d . . .
H15A H -0.2680 -0.2108 -0.2717 0.030 Uiso 1 1 calc R . .
H15B H -0.2102 -0.0838 -0.3059 0.030 Uiso 1 1 calc R . .
C16 C -0.3126(3) -0.2735(2) -0.36897(11) 0.0278(5) Uani 1 1 d . . .
H16A H -0.3548 -0.2368 -0.4055 0.033 Uiso 1 1 calc R . .
H16B H -0.3887 -0.3634 -0.3687 0.033 Uiso 1 1 calc R . .
C17 C -0.1296(3) -0.3328(2) -0.46489(10) 0.0289(5) Uani 1 1 d . . .
H17A H -0.0329 -0.3607 -0.4734 0.035 Uiso 1 1 calc R . .
C18 C -0.1225(3) -0.1919(3) -0.48762(12) 0.0402(6) Uani 1 1 d . . .
H18A H -0.1315 -0.2072 -0.5331 0.060 Uiso 1 1 calc R . .
H18B H -0.0212 -0.1236 -0.4672 0.060 Uiso 1 1 calc R . .
H18C H -0.2104 -0.1562 -0.4769 0.060 Uiso 1 1 calc R . .
C19 C -0.2763(3) -0.4499(3) -0.50521(12) 0.0406(6) Uani 1 1 d . . .
H19A H -0.2733 -0.4552 -0.5496 0.061 Uiso 1 1 calc R . .
H19B H -0.3743 -0.4280 -0.4976 0.061 Uiso 1 1 calc R . .
H19C H -0.2733 -0.5400 -0.4936 0.061 Uiso 1 1 calc R . .
C20 C -0.1421(3) -0.4888(2) -0.36104(11) 0.0304(5) Uani 1 1 d . . .
H20A H -0.2484 -0.5478 -0.3854 0.036 Uiso 1 1 calc R . .
C21 C -0.0106(3) -0.5531(3) -0.38177(15) 0.0475(7) Uani 1 1 d . . .
H21A H -0.0273 -0.6482 -0.3733 0.071 Uiso 1 1 calc R . .
H21B H 0.0940 -0.4954 -0.3583 0.071 Uiso 1 1 calc R . .
H21C H -0.0161 -0.5561 -0.4266 0.071 Uiso 1 1 calc R . .
C22 C -0.1369(4) -0.4858(3) -0.28990(12) 0.0428(6) Uani 1 1 d . . .
H22A H -0.1525 -0.5811 -0.2818 0.064 Uiso 1 1 calc R . .
H22B H -0.2215 -0.4473 -0.2776 0.064 Uiso 1 1 calc R . .
H22C H -0.0336 -0.4270 -0.2657 0.064 Uiso 1 1 calc R . .
C23 C -0.1743(3) 0.1678(2) -0.18786(11) 0.0297(5) Uani 1 1 d . . .
H23A H -0.1123 0.0981 -0.1853 0.036 Uiso 1 1 calc R . .
H23B H -0.1434 0.2186 -0.2211 0.036 Uiso 1 1 calc R . .
C24 C 0.1036(7) 0.3088(8) -0.0718(2) 0.198(4) Uani 1 1 d . . .
H24A H 0.1335 0.3777 -0.0326 0.298 Uiso 1 1 calc R . .
H24B H 0.1770 0.3373 -0.0992 0.298 Uiso 1 1 calc R . .
H24C H 0.1089 0.2171 -0.0627 0.298 Uiso 1 1 calc R . .
C25 C -0.2302(9) 0.2560(6) -0.0543(2) 0.205(5) Uani 1 1 d . . .
H25A H -0.3409 0.2489 -0.0727 0.307 Uiso 1 1 calc R . .
H25B H -0.1933 0.3303 -0.0169 0.307 Uiso 1 1 calc R . .
H25C H -0.2226 0.1668 -0.0427 0.307 Uiso 1 1 calc R . .
C26 C -0.1039(9) 0.4789(4) -0.1229(2) 0.142(3) Uani 1 1 d . . .
H26A H -0.2102 0.4795 -0.1438 0.213 Uiso 1 1 calc R . .
H26B H -0.0273 0.5103 -0.1487 0.213 Uiso 1 1 calc R . .
H26C H -0.0735 0.5420 -0.0820 0.213 Uiso 1 1 calc R . .
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'
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 C23 122.93(9) . . ?
N1 Co1 N2 76.56(7) . . ?
C23 Co1 N2 111.41(8) . . ?
N1 Co1 P1 117.71(6) . . ?
C23 Co1 P1 119.27(7) . . ?
N2 Co1 P1 84.63(5) . . ?
N1 Co1 Si1 38.81(5) . . ?
C23 Co1 Si1 112.82(7) . . ?
N2 Co1 Si1 41.36(5) . . ?
P1 Co1 Si1 115.68(2) . . ?
N1 Si1 N2 96.53(9) . . ?
N1 Si1 C6 116.34(10) . . ?
N2 Si1 C6 108.17(10) . . ?
N1 Si1 C5 118.69(11) . . ?
N2 Si1 C5 110.85(10) . . ?
C6 Si1 C5 105.66(12) . . ?
N1 Si1 Co1 45.52(6) . . ?
N2 Si1 Co1 56.13(6) . . ?
C6 Si1 Co1 106.76(8) . . ?
C5 Si1 Co1 147.52(9) . . ?
C25 Si2 C26 106.6(3) . . ?
C25 Si2 C23 112.98(15) . . ?
C26 Si2 C23 112.17(15) . . ?
C25 Si2 C24 105.7(4) . . ?
C26 Si2 C24 105.8(3) . . ?
C23 Si2 C24 112.94(16) . . ?
C8 P1 C9 104.81(11) . . ?
C8 P1 C12 104.02(11) . . ?
C9 P1 C12 104.02(11) . . ?
C8 P1 Co1 99.10(7) . . ?
C9 P1 Co1 122.13(8) . . ?
C12 P1 Co1 120.05(8) . . ?
C20 P2 C17 102.70(11) . . ?
C20 P2 C16 100.77(10) . . ?
C17 P2 C16 101.63(10) . . ?
C1 N1 Si1 130.08(15) . . ?
C1 N1 Co1 132.95(15) . . ?
Si1 N1 Co1 95.67(8) . . ?
C15 N2 C7 113.73(17) . . ?
C15 N2 Si1 121.08(14) . . ?
C7 N2 Si1 113.09(14) . . ?
C15 N2 Co1 114.92(13) . . ?
C7 N2 Co1 106.86(12) . . ?
Si1 N2 Co1 82.50(7) . . ?
N1 C1 C3 108.51(19) . . ?
N1 C1 C2 111.4(2) . . ?
C3 C1 C2 108.7(2) . . ?
N1 C1 C4 110.7(2) . . ?
C3 C1 C4 109.5(2) . . ?
C2 C1 C4 108.0(2) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 113.28(18) . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 P1 110.98(15) . . ?
C7 C8 H8A 109.4 . . ?
P1 C8 H8A 109.4 . . ?
C7 C8 H8B 109.4 . . ?
P1 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C11 110.3(2) . . ?
C10 C9 P1 110.61(16) . . ?
C11 C9 P1 109.96(17) . . ?
C10 C9 H9A 108.6 . . ?
C11 C9 H9A 108.6 . . ?
P1 C9 H9A 108.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 111.3(2) . . ?
C14 C12 P1 110.33(17) . . ?
C13 C12 P1 114.08(18) . . ?
C14 C12 H12A 106.9 . . ?
C13 C12 H12A 106.9 . . ?
P1 C12 H12A 106.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C16 115.40(17) . . ?
N2 C15 H15A 108.4 . . ?
C16 C15 H15A 108.4 . . ?
N2 C15 H15B 108.4 . . ?
C16 C15 H15B 108.4 . . ?
H15A C15 H15B 107.5 . . ?
C15 C16 P2 111.39(15) . . ?
C15 C16 H16A 109.4 . . ?
P2 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
P2 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C19 110.1(2) . . ?
C18 C17 P2 110.00(16) . . ?
C19 C17 P2 116.46(16) . . ?
C18 C17 H17A 106.6 . . ?
C19 C17 H17A 106.6 . . ?
P2 C17 H17A 106.6 . . ?
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 . . ?
C22 C20 C21 110.1(2) . . ?
C22 C20 P2 109.58(17) . . ?
C21 C20 P2 110.23(16) . . ?
C22 C20 H20A 109.0 . . ?
C21 C20 H20A 109.0 . . ?
P2 C20 H20A 109.0 . . ?
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 . . ?
Si2 C23 Co1 120.99(12) . . ?
Si2 C23 H23A 107.1 . . ?
Co1 C23 H23A 107.1 . . ?
Si2 C23 H23B 107.1 . . ?
Co1 C23 H23B 107.1 . . ?
H23A C23 H23B 106.8 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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 1.9261(18) . ?
Co1 C23 2.033(2) . ?
Co1 N2 2.2499(17) . ?
Co1 P1 2.4089(6) . ?
Co1 Si1 2.6865(7) . ?
Si1 N1 1.6921(19) . ?
Si1 N2 1.7905(18) . ?
Si1 C6 1.874(2) . ?
Si1 C5 1.873(2) . ?
Si2 C25 1.813(4) . ?
Si2 C26 1.830(4) . ?
Si2 C23 1.839(2) . ?
Si2 C24 1.845(5) . ?
P1 C8 1.839(2) . ?
P1 C9 1.852(2) . ?
P1 C12 1.858(2) . ?
P2 C20 1.855(2) . ?
P2 C17 1.859(2) . ?
P2 C16 1.869(2) . ?
N1 C1 1.469(3) . ?
N2 C15 1.478(3) . ?
N2 C7 1.483(3) . ?
C1 C3 1.526(3) . ?
C1 C2 1.529(4) . ?
C1 C4 1.531(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 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 C8 1.540(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.528(3) . ?
C9 C11 1.531(3) . ?
C9 H9A 0.9800 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C14 1.523(3) . ?
C12 C13 1.533(3) . ?
C12 H12A 0.9800 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.523(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.527(3) . ?
C17 C19 1.532(3) . ?
C17 H17A 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C22 1.528(3) . ?
C20 C21 1.529(3) . ?
C20 H20A 0.9800 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
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
C23 Co1 Si1 N1 -114.70(12) . . . . ?
N2 Co1 Si1 N1 148.32(12) . . . . ?
P1 Co1 Si1 N1 103.03(9) . . . . ?
N1 Co1 Si1 N2 -148.32(12) . . . . ?
C23 Co1 Si1 N2 96.98(10) . . . . ?
P1 Co1 Si1 N2 -45.29(7) . . . . ?
N1 Co1 Si1 C6 110.72(12) . . . . ?
C23 Co1 Si1 C6 -3.98(11) . . . . ?
N2 Co1 Si1 C6 -100.96(11) . . . . ?
P1 Co1 Si1 C6 -146.25(8) . . . . ?
N1 Co1 Si1 C5 -73.16(18) . . . . ?
C23 Co1 Si1 C5 172.14(17) . . . . ?
N2 Co1 Si1 C5 75.16(17) . . . . ?
P1 Co1 Si1 C5 29.87(16) . . . . ?
N1 Co1 P1 C8 70.35(10) . . . . ?
C23 Co1 P1 C8 -112.98(11) . . . . ?
N2 Co1 P1 C8 -1.41(9) . . . . ?
Si1 Co1 P1 C8 26.73(8) . . . . ?
N1 Co1 P1 C9 -43.62(11) . . . . ?
C23 Co1 P1 C9 133.05(12) . . . . ?
N2 Co1 P1 C9 -115.38(10) . . . . ?
Si1 Co1 P1 C9 -87.23(9) . . . . ?
N1 Co1 P1 C12 -177.56(10) . . . . ?
C23 Co1 P1 C12 -0.89(12) . . . . ?
N2 Co1 P1 C12 110.69(10) . . . . ?
Si1 Co1 P1 C12 138.83(9) . . . . ?
N2 Si1 N1 C1 -165.9(2) . . . . ?
C6 Si1 N1 C1 80.1(2) . . . . ?
C5 Si1 N1 C1 -47.8(2) . . . . ?
Co1 Si1 N1 C1 168.0(2) . . . . ?
N2 Si1 N1 Co1 26.04(9) . . . . ?
C6 Si1 N1 Co1 -87.97(12) . . . . ?
C5 Si1 N1 Co1 144.13(10) . . . . ?
C23 Co1 N1 C1 -81.4(2) . . . . ?
N2 Co1 N1 C1 171.6(2) . . . . ?
P1 Co1 N1 C1 95.2(2) . . . . ?
Si1 Co1 N1 C1 -167.5(3) . . . . ?
C23 Co1 N1 Si1 86.10(11) . . . . ?
N2 Co1 N1 Si1 -20.90(8) . . . . ?
P1 Co1 N1 Si1 -97.36(8) . . . . ?
N1 Si1 N2 C15 -136.80(16) . . . . ?
C6 Si1 N2 C15 -16.30(18) . . . . ?
C5 Si1 N2 C15 99.10(17) . . . . ?
Co1 Si1 N2 C15 -114.65(16) . . . . ?
N1 Si1 N2 C7 83.03(15) . . . . ?
C6 Si1 N2 C7 -156.47(14) . . . . ?
C5 Si1 N2 C7 -41.07(17) . . . . ?
Co1 Si1 N2 C7 105.19(14) . . . . ?
N1 Si1 N2 Co1 -22.16(8) . . . . ?
C6 Si1 N2 Co1 98.35(9) . . . . ?
C5 Si1 N2 Co1 -146.26(10) . . . . ?
N1 Co1 N2 C15 140.65(15) . . . . ?
C23 Co1 N2 C15 20.21(16) . . . . ?
P1 Co1 N2 C15 -99.17(13) . . . . ?
Si1 Co1 N2 C15 120.87(16) . . . . ?
N1 Co1 N2 C7 -92.15(14) . . . . ?
C23 Co1 N2 C7 147.41(13) . . . . ?
P1 Co1 N2 C7 28.03(12) . . . . ?
Si1 Co1 N2 C7 -111.93(15) . . . . ?
N1 Co1 N2 Si1 19.78(7) . . . . ?
C23 Co1 N2 Si1 -100.66(9) . . . . ?
P1 Co1 N2 Si1 139.96(6) . . . . ?
Si1 N1 C1 C3 -167.09(19) . . . . ?
Co1 N1 C1 C3 -3.5(3) . . . . ?
Si1 N1 C1 C2 -47.5(3) . . . . ?
Co1 N1 C1 C2 116.1(2) . . . . ?
Si1 N1 C1 C4 72.7(3) . . . . ?
Co1 N1 C1 C4 -123.7(2) . . . . ?
C15 N2 C7 C8 73.9(2) . . . . ?
Si1 N2 C7 C8 -142.87(15) . . . . ?
Co1 N2 C7 C8 -53.96(19) . . . . ?
N2 C7 C8 P1 54.6(2) . . . . ?
C9 P1 C8 C7 101.99(17) . . . . ?
C12 P1 C8 C7 -149.09(16) . . . . ?
Co1 P1 C8 C7 -24.85(16) . . . . ?
C8 P1 C9 C10 -67.33(19) . . . . ?
C12 P1 C9 C10 -176.26(18) . . . . ?
Co1 P1 C9 C10 43.7(2) . . . . ?
C8 P1 C9 C11 170.58(18) . . . . ?
C12 P1 C9 C11 61.6(2) . . . . ?
Co1 P1 C9 C11 -78.37(19) . . . . ?
C8 P1 C12 C14 69.6(2) . . . . ?
C9 P1 C12 C14 179.10(18) . . . . ?
Co1 P1 C12 C14 -39.8(2) . . . . ?
C8 P1 C12 C13 -56.6(2) . . . . ?
C9 P1 C12 C13 52.9(2) . . . . ?
Co1 P1 C12 C13 -166.04(16) . . . . ?
C7 N2 C15 C16 65.0(2) . . . . ?
Si1 N2 C15 C16 -75.0(2) . . . . ?
Co1 N2 C15 C16 -171.41(14) . . . . ?
N2 C15 C16 P2 172.49(14) . . . . ?
C20 P2 C16 C15 108.07(17) . . . . ?
C17 P2 C16 C15 -146.41(16) . . . . ?
C20 P2 C17 C18 175.08(16) . . . . ?
C16 P2 C17 C18 71.09(18) . . . . ?
C20 P2 C17 C19 48.9(2) . . . . ?
C16 P2 C17 C19 -55.1(2) . . . . ?
C17 P2 C20 C22 -178.11(17) . . . . ?
C16 P2 C20 C22 -73.44(18) . . . . ?
C17 P2 C20 C21 60.6(2) . . . . ?
C16 P2 C20 C21 165.26(18) . . . . ?
C25 Si2 C23 Co1 27.9(4) . . . . ?
C26 Si2 C23 Co1 -92.7(3) . . . . ?
C24 Si2 C23 Co1 147.9(3) . . . . ?
N1 Co1 C23 Si2 104.18(14) . . . . ?
N2 Co1 C23 Si2 -168.31(11) . . . . ?
P1 Co1 C23 Si2 -72.31(14) . . . . ?
Si1 Co1 C23 Si2 146.90(11) . . . . ?
