#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:20:45 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179056 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/18/4301845.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_4301845
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         'C25 H49 Co I N2 P2 Si'
_chemical_formula_sum            'C25 H49 Co I N2 P2 Si'
_chemical_formula_weight         653.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.541(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2546(14)
_cell_length_b                   13.8526(16)
_cell_length_c                   17.881(2)
_cell_measurement_reflns_used    1514
_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      20.3
_cell_measurement_theta_min      2.2
_cell_volume                     2974.1(6)
_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      151(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0774
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14224
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.779
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4897
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                3642
_reflns_number_total             4897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802337t_si_005.cif
_cod_data_source_block           wac7137xs
_cod_original_cell_volume        2974.0(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301845
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.26888(5) 0.82631(5) 0.18176(4) 0.01924(17) Uani 1 1 d . . .
I1 I 0.19572(3) 0.69871(3) 0.274063(18) 0.02758(12) Uani 1 1 d . . .
Si1 Si 0.45063(11) 0.93719(10) 0.13360(7) 0.0212(3) Uani 1 1 d . . .
P1 P 0.25109(11) 0.72069(9) 0.07459(7) 0.0228(3) Uani 1 1 d . . .
P2 P 0.14604(10) 0.96062(10) 0.18080(7) 0.0221(3) Uani 1 1 d . . .
N1 N 0.4240(3) 0.8695(3) 0.2081(2) 0.0194(9) Uani 1 1 d . . .
N2 N 0.3170(3) 0.9416(3) 0.0727(2) 0.0204(9) Uani 1 1 d . . .
C1 C 0.5043(4) 0.8490(3) 0.2740(3) 0.0193(11) Uani 1 1 d . . .
C2 C 0.4743(4) 0.8224(3) 0.3427(3) 0.0225(11) Uani 1 1 d . . .
H2A H 0.3974 0.8179 0.3444 0.027 Uiso 1 1 calc R . .
C3 C 0.5514(4) 0.8028(4) 0.4077(3) 0.0262(12) Uani 1 1 d . . .
H3A H 0.5262 0.7839 0.4525 0.031 Uiso 1 1 calc R . .
C4 C 0.6649(4) 0.8094(4) 0.4102(3) 0.0236(11) Uani 1 1 d . . .
C5 C 0.6964(4) 0.8348(5) 0.3436(3) 0.0435(16) Uani 1 1 d . . .
H5A H 0.7735 0.8389 0.3426 0.052 Uiso 1 1 calc R . .
C6 C 0.6185(4) 0.8547(5) 0.2775(3) 0.0357(15) Uani 1 1 d . . .
H6A H 0.6444 0.8729 0.2329 0.043 Uiso 1 1 calc R . .
C7 C 0.7495(4) 0.7893(4) 0.4830(3) 0.0363(14) Uani 1 1 d . . .
H7A H 0.8059 0.7442 0.4720 0.054 Uiso 1 1 calc R . .
H7B H 0.7117 0.7609 0.5211 0.054 Uiso 1 1 calc R . .
H7C H 0.7855 0.8498 0.5028 0.054 Uiso 1 1 calc R . .
C8 C 0.5007(4) 1.0615(4) 0.1626(3) 0.0313(13) Uani 1 1 d . . .
H8A H 0.4480 1.0929 0.1894 0.047 Uiso 1 1 calc R . .
H8B H 0.5063 1.0990 0.1171 0.047 Uiso 1 1 calc R . .
H8C H 0.5741 1.0577 0.1965 0.047 Uiso 1 1 calc R . .
C9 C 0.5568(4) 0.8881(4) 0.0808(3) 0.0295(13) Uani 1 1 d . . .
H9A H 0.5617 0.8179 0.0871 0.044 Uiso 1 1 calc R . .
H9B H 0.6296 0.9171 0.1014 0.044 Uiso 1 1 calc R . .
H9C H 0.5346 0.9039 0.0265 0.044 Uiso 1 1 calc R . .
C10 C 0.2914(4) 0.8909(4) -0.0012(3) 0.0257(12) Uani 1 1 d . . .
H10A H 0.3357 0.9203 -0.0359 0.031 Uiso 1 1 calc R . .
H10B H 0.2117 0.9006 -0.0241 0.031 Uiso 1 1 calc R . .
C11 C 0.3155(4) 0.7821(3) 0.0042(3) 0.0244(12) Uani 1 1 d . . .
H11A H 0.3971 0.7721 0.0176 0.029 Uiso 1 1 calc R . .
H11B H 0.2881 0.7524 -0.0464 0.029 Uiso 1 1 calc R . .
C12 C 0.3336(5) 0.6089(4) 0.0955(3) 0.0329(13) Uani 1 1 d . . .
H12A H 0.2958 0.5684 0.1290 0.040 Uiso 1 1 calc R . .
C13 C 0.3412(6) 0.5481(4) 0.0258(3) 0.0572(19) Uani 1 1 d . . .
H13A H 0.3908 0.4931 0.0414 0.086 Uiso 1 1 calc R . .
H13B H 0.3709 0.5876 -0.0110 0.086 Uiso 1 1 calc R . .
H13C H 0.2669 0.5246 0.0022 0.086 Uiso 1 1 calc R . .
C14 C 0.4505(5) 0.6307(4) 0.1408(3) 0.0441(16) Uani 1 1 d . . .
H14A H 0.4892 0.5700 0.1570 0.066 Uiso 1 1 calc R . .
H14B H 0.4451 0.6692 0.1859 0.066 Uiso 1 1 calc R . .
H14C H 0.4922 0.6668 0.1086 0.066 Uiso 1 1 calc R . .
C15 C 0.1159(6) 0.6799(5) 0.0193(4) 0.070(3) Uani 1 1 d . . .
H15A H 0.1442 0.6303 -0.0128 0.085 Uiso 1 1 calc R . .
C16 C 0.0574(5) 0.6117(4) 0.0657(3) 0.0423(15) Uani 1 1 d . . .
H16A H -0.0128 0.5895 0.0340 0.063 Uiso 1 1 calc R . .
H16B H 0.0419 0.6458 0.1104 0.063 Uiso 1 1 calc R . .
H16C H 0.1054 0.5560 0.0824 0.063 Uiso 1 1 calc R . .
C17 C 0.0575(6) 0.7320(10) -0.0364(5) 0.154(6) Uani 1 1 d . . .
H17A H 0.0069 0.6899 -0.0714 0.231 Uiso 1 1 calc R . .
H17B H 0.1082 0.7645 -0.0644 0.231 Uiso 1 1 calc R . .
H17C H 0.0142 0.7804 -0.0150 0.231 Uiso 1 1 calc R . .
C18 C 0.2532(4) 1.0316(4) 0.0685(3) 0.0267(12) Uani 1 1 d . . .
H18A H 0.2454 1.0592 0.0166 0.032 Uiso 1 1 calc R . .
H18B H 0.2949 1.0787 0.1051 0.032 Uiso 1 1 calc R . .
C19 C 0.1371(4) 1.0171(4) 0.0864(3) 0.0257(12) Uani 1 1 d . . .
H19A H 0.0923 0.9756 0.0467 0.031 Uiso 1 1 calc R . .
H19B H 0.0991 1.0803 0.0854 0.031 Uiso 1 1 calc R . .
C20 C -0.0030(4) 0.9545(4) 0.1880(3) 0.0294(13) Uani 1 1 d . . .
H20A H -0.0367 1.0195 0.1745 0.035 Uiso 1 1 calc R . .
C21 C -0.0191(5) 0.9291(4) 0.2684(3) 0.0405(15) Uani 1 1 d . . .
H21A H -0.0989 0.9257 0.2687 0.061 Uiso 1 1 calc R . .
H21B H 0.0156 0.9789 0.3043 0.061 Uiso 1 1 calc R . .
H21C H 0.0155 0.8665 0.2836 0.061 Uiso 1 1 calc R . .
C22 C -0.0649(4) 0.8820(5) 0.1314(3) 0.0403(15) Uani 1 1 d . . .
H22A H -0.1445 0.8843 0.1324 0.060 Uiso 1 1 calc R . .
H22B H -0.0362 0.8170 0.1452 0.060 Uiso 1 1 calc R . .
H22C H -0.0540 0.8979 0.0800 0.060 Uiso 1 1 calc R . .
C23 C 0.2104(4) 1.0565(4) 0.2468(3) 0.0287(13) Uani 1 1 d . . .
H23A H 0.2792 1.0764 0.2287 0.034 Uiso 1 1 calc R . .
C24 C 0.1411(5) 1.1484(4) 0.2462(4) 0.0428(15) Uani 1 1 d . . .
H24A H 0.1876 1.1997 0.2736 0.064 Uiso 1 1 calc R . .
H24B H 0.0783 1.1357 0.2711 0.064 Uiso 1 1 calc R . .
H24C H 0.1129 1.1686 0.1933 0.064 Uiso 1 1 calc R . .
C25 C 0.2504(5) 1.0195(4) 0.3285(3) 0.0427(15) Uani 1 1 d . . .
H25A H 0.2965 1.0689 0.3589 0.064 Uiso 1 1 calc R . .
H25B H 0.2944 0.9606 0.3275 0.064 Uiso 1 1 calc R . .
H25C H 0.1858 1.0052 0.3513 0.064 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'
I I -0.4742 1.8119 '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 P1 107.98(12) . . ?
N1 Co1 P2 110.10(12) . . ?
P1 Co1 P2 121.00(5) . . ?
N1 Co1 I1 118.65(11) . . ?
P1 Co1 I1 95.83(4) . . ?
P2 Co1 I1 103.23(4) . . ?
N1 Si1 N2 101.51(19) . . ?
N1 Si1 C8 113.1(2) . . ?
N2 Si1 C8 110.5(2) . . ?
N1 Si1 C9 116.8(2) . . ?
N2 Si1 C9 110.5(2) . . ?
C8 Si1 C9 104.5(2) . . ?
C11 P1 C15 103.9(3) . . ?
C11 P1 C12 103.6(2) . . ?
C15 P1 C12 104.4(3) . . ?
C11 P1 Co1 106.59(17) . . ?
C15 P1 Co1 123.2(3) . . ?
C12 P1 Co1 113.16(16) . . ?
C19 P2 C23 102.7(2) . . ?
C19 P2 C20 101.7(2) . . ?
C23 P2 C20 106.8(2) . . ?
C19 P2 Co1 104.98(16) . . ?
C23 P2 Co1 111.56(17) . . ?
C20 P2 Co1 126.18(18) . . ?
C1 N1 Si1 123.5(3) . . ?
C1 N1 Co1 128.6(3) . . ?
Si1 N1 Co1 107.87(18) . . ?
C18 N2 C10 110.1(4) . . ?
C18 N2 Si1 118.5(3) . . ?
C10 N2 Si1 122.5(3) . . ?
C6 C1 C2 114.5(4) . . ?
C6 C1 N1 123.8(4) . . ?
C2 C1 N1 121.8(4) . . ?
C3 C2 C1 122.6(4) . . ?
C3 C2 H2A 118.7 . . ?
C1 C2 H2A 118.7 . . ?
C2 C3 C4 122.1(5) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 H3A 118.9 . . ?
C5 C4 C3 116.4(4) . . ?
C5 C4 C7 122.0(5) . . ?
C3 C4 C7 121.6(4) . . ?
C4 C5 C6 121.7(5) . . ?
C4 C5 H5A 119.1 . . ?
C6 C5 H5A 119.1 . . ?
C5 C6 C1 122.7(5) . . ?
C5 C6 H6A 118.7 . . ?
C1 C6 H6A 118.7 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 114.0(4) . . ?
N2 C10 H10A 108.7 . . ?
C11 C10 H10A 108.7 . . ?
N2 C10 H10B 108.7 . . ?
C11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 P1 113.4(3) . . ?
C10 C11 H11A 108.9 . . ?
P1 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
P1 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C13 C12 C14 109.8(5) . . ?
C13 C12 P1 114.8(4) . . ?
C14 C12 P1 111.1(4) . . ?
C13 C12 H12A 106.9 . . ?
C14 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 . . ?
C17 C15 C16 120.4(6) . . ?
C17 C15 P1 122.1(6) . . ?
C16 C15 P1 111.6(4) . . ?
C17 C15 H15A 98.1 . . ?
C16 C15 H15A 98.1 . . ?
P1 C15 H15A 98.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C19 112.6(4) . . ?
N2 C18 H18A 109.1 . . ?
C19 C18 H18A 109.1 . . ?
N2 C18 H18B 109.1 . . ?
C19 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
C18 C19 P2 111.1(3) . . ?
C18 C19 H19A 109.4 . . ?
P2 C19 H19A 109.4 . . ?
C18 C19 H19B 109.4 . . ?
P2 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C22 C20 C21 109.4(4) . . ?
C22 C20 P2 110.6(4) . . ?
C21 C20 P2 112.9(4) . . ?
C22 C20 H20A 107.9 . . ?
C21 C20 H20A 107.9 . . ?
P2 C20 H20A 107.9 . . ?
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 . . ?
C24 C23 C25 110.9(4) . . ?
C24 C23 P2 115.4(4) . . ?
C25 C23 P2 112.5(4) . . ?
C24 C23 H23A 105.7 . . ?
C25 C23 H23A 105.7 . . ?
P2 C23 H23A 105.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 1.958(4) . ?
Co1 P1 2.3860(14) . ?
Co1 P2 2.3913(14) . ?
Co1 I1 2.6916(7) . ?
Si1 N1 1.713(4) . ?
Si1 N2 1.777(4) . ?
Si1 C8 1.866(5) . ?
Si1 C9 1.881(5) . ?
P1 C11 1.823(5) . ?
P1 C15 1.840(6) . ?
P1 C12 1.847(5) . ?
P2 C19 1.844(5) . ?
P2 C23 1.846(5) . ?
P2 C20 1.858(5) . ?
N1 C1 1.405(6) . ?
N2 C18 1.466(6) . ?
N2 C10 1.474(6) . ?
C1 C6 1.391(6) . ?
C1 C2 1.401(6) . ?
C2 C3 1.370(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.386(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.368(7) . ?
C4 C7 1.518(6) . ?
C5 C6 1.390(7) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.535(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.522(7) . ?
C12 C14 1.528(7) . ?
C12 H12A 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.319(9) . ?
C15 C16 1.527(8) . ?
C15 H15A 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.533(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C22 1.517(7) . ?
C20 C21 1.531(7) . ?
C20 H20A 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.529(7) . ?
C23 C25 1.534(7) . ?
C23 H23A 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
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
N1 Co1 P1 C11 -49.0(2) . . . . ?
P2 Co1 P1 C11 79.05(18) . . . . ?
I1 Co1 P1 C11 -171.69(17) . . . . ?
N1 Co1 P1 C15 -168.6(3) . . . . ?
P2 Co1 P1 C15 -40.6(2) . . . . ?
I1 Co1 P1 C15 68.7(2) . . . . ?
N1 Co1 P1 C12 64.2(2) . . . . ?
P2 Co1 P1 C12 -167.7(2) . . . . ?
I1 Co1 P1 C12 -58.4(2) . . . . ?
N1 Co1 P2 C19 82.3(2) . . . . ?
P1 Co1 P2 C19 -44.79(18) . . . . ?
I1 Co1 P2 C19 -150.05(16) . . . . ?
N1 Co1 P2 C23 -28.2(2) . . . . ?
P1 Co1 P2 C23 -155.30(19) . . . . ?
I1 Co1 P2 C23 99.44(19) . . . . ?
N1 Co1 P2 C20 -160.5(2) . . . . ?
P1 Co1 P2 C20 72.4(2) . . . . ?
I1 Co1 P2 C20 -32.9(2) . . . . ?
N2 Si1 N1 C1 -176.9(4) . . . . ?
C8 Si1 N1 C1 -58.5(4) . . . . ?
C9 Si1 N1 C1 62.8(4) . . . . ?
N2 Si1 N1 Co1 4.7(2) . . . . ?
C8 Si1 N1 Co1 123.1(2) . . . . ?
C9 Si1 N1 Co1 -115.6(2) . . . . ?
P1 Co1 N1 C1 -113.3(4) . . . . ?
P2 Co1 N1 C1 112.6(4) . . . . ?
I1 Co1 N1 C1 -5.9(4) . . . . ?
P1 Co1 N1 Si1 65.0(2) . . . . ?
P2 Co1 N1 Si1 -69.0(2) . . . . ?
I1 Co1 N1 Si1 172.42(12) . . . . ?
N1 Si1 N2 C18 105.4(3) . . . . ?
C8 Si1 N2 C18 -14.9(4) . . . . ?
C9 Si1 N2 C18 -130.0(4) . . . . ?
N1 Si1 N2 C10 -110.5(4) . . . . ?
C8 Si1 N2 C10 129.2(4) . . . . ?
C9 Si1 N2 C10 14.0(4) . . . . ?
Si1 N1 C1 C6 -20.4(7) . . . . ?
Co1 N1 C1 C6 157.7(4) . . . . ?
Si1 N1 C1 C2 158.6(4) . . . . ?
Co1 N1 C1 C2 -23.4(7) . . . . ?
C6 C1 C2 C3 -0.6(7) . . . . ?
N1 C1 C2 C3 -179.6(5) . . . . ?
C1 C2 C3 C4 1.1(8) . . . . ?
C2 C3 C4 C5 -1.4(8) . . . . ?
C2 C3 C4 C7 178.8(5) . . . . ?
C3 C4 C5 C6 1.3(9) . . . . ?
C7 C4 C5 C6 -178.9(6) . . . . ?
C4 C5 C6 C1 -0.9(10) . . . . ?
C2 C1 C6 C5 0.5(8) . . . . ?
N1 C1 C6 C5 179.5(5) . . . . ?
C18 N2 C10 C11 -157.5(4) . . . . ?
Si1 N2 C10 C11 55.8(5) . . . . ?
N2 C10 C11 P1 52.1(5) . . . . ?
C15 P1 C11 C10 92.0(4) . . . . ?
C12 P1 C11 C10 -159.1(3) . . . . ?
Co1 P1 C11 C10 -39.5(4) . . . . ?
C11 P1 C12 C13 -54.6(5) . . . . ?
C15 P1 C12 C13 53.9(6) . . . . ?
Co1 P1 C12 C13 -169.6(4) . . . . ?
C11 P1 C12 C14 70.7(4) . . . . ?
C15 P1 C12 C14 179.2(4) . . . . ?
Co1 P1 C12 C14 -44.4(4) . . . . ?
C11 P1 C15 C17 -36.7(10) . . . . ?
C12 P1 C15 C17 -145.0(9) . . . . ?
Co1 P1 C15 C17 84.2(9) . . . . ?
C11 P1 C15 C16 170.3(5) . . . . ?
C12 P1 C15 C16 62.0(6) . . . . ?
Co1 P1 C15 C16 -68.8(6) . . . . ?
C10 N2 C18 C19 86.9(5) . . . . ?
Si1 N2 C18 C19 -124.9(4) . . . . ?
N2 C18 C19 P2 56.2(5) . . . . ?
C23 P2 C19 C18 68.3(4) . . . . ?
C20 P2 C19 C18 178.8(4) . . . . ?
Co1 P2 C19 C18 -48.4(4) . . . . ?
C19 P2 C20 C22 68.8(4) . . . . ?
C23 P2 C20 C22 176.1(4) . . . . ?
Co1 P2 C20 C22 -49.8(4) . . . . ?
C19 P2 C20 C21 -168.2(4) . . . . ?
C23 P2 C20 C21 -61.0(4) . . . . ?
Co1 P2 C20 C21 73.1(4) . . . . ?
C19 P2 C23 C24 64.1(4) . . . . ?
C20 P2 C23 C24 -42.5(5) . . . . ?
Co1 P2 C23 C24 176.0(4) . . . . ?
C19 P2 C23 C25 -167.3(4) . . . . ?
C20 P2 C23 C25 86.1(4) . . . . ?
Co1 P2 C23 C25 -55.4(4) . . . . ?
