#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:18:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179054 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/16/4301674.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_4301674
loop_
_publ_author_name
'Matthew T. Whited'
'Neal P. Mankad'
'Yunho Lee'
'Paul F. Oblad'
'Jonas C. Peters'
_publ_contact_author_address
;Department of Chemistry
Massachusetts Institute of Technology
Cambridge, MA 02139
USA
;
_publ_contact_author_email       jcpeters@mit.edu
_publ_contact_author_name        'Jonas C. Peters'
_publ_section_title
;
Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2507
_journal_page_last               2517
_journal_paper_doi               10.1021/ic801855y
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C36 H55 P3 Si'
_chemical_formula_weight         608.80
_chemical_name_common            (H[SiPiPr3])
_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                96.135(2)
_cell_angle_beta                 105.964(2)
_cell_angle_gamma                116.084(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3718(3)
_cell_length_b                   11.5291(4)
_cell_length_c                   16.4561(5)
_cell_measurement_reflns_used    4919
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      2.37
_cell_volume                     1797.04(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1124
_diffrn_reflns_av_sigmaI/netI    0.1145
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27212
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    0.221
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         8425
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1491
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1076P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.2238
_reflns_number_gt                4112
_reflns_number_total             8425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801855y_si_001_01.cif
_cod_data_source_block           mtw51
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1797.03(10)
_cod_database_code               4301674
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
Si1 Si 0.06635(10) 0.07238(10) 0.21088(8) 0.0447(3) Uani 1 1 d . . .
P1 P 0.37951(9) 0.10939(9) 0.31932(7) 0.0471(3) Uani 1 1 d . . .
P2 P 0.07865(10) 0.35967(10) 0.27935(7) 0.0442(3) Uani 1 1 d . A .
P3 P -0.17689(11) -0.17513(11) 0.25717(8) 0.0519(3) Uani 1 1 d . B .
C1 C 0.2287(3) 0.1748(4) 0.1849(3) 0.0447(9) Uani 1 1 d . . .
C2 C 0.2126(4) 0.2319(4) 0.1150(3) 0.0490(10) Uani 1 1 d . . .
H2 H 0.1239 0.2247 0.0862 0.059 Uiso 1 1 calc R . .
C3 C 0.3225(4) 0.2994(4) 0.0860(3) 0.0520(10) Uani 1 1 d . . .
H3 H 0.3085 0.3370 0.0379 0.062 Uiso 1 1 calc R . .
C4 C 0.4516(4) 0.3109(4) 0.1279(3) 0.0555(11) Uani 1 1 d . . .
H4 H 0.5271 0.3552 0.1083 0.067 Uiso 1 1 calc R . .
C5 C 0.4707(4) 0.2572(4) 0.1992(3) 0.0560(11) Uani 1 1 d . . .
H5 H 0.5607 0.2679 0.2288 0.067 Uiso 1 1 calc R . .
C6 C 0.3615(4) 0.1881(4) 0.2285(3) 0.0481(10) Uani 1 1 d . . .
C7 C -0.0748(3) 0.1127(4) 0.1537(2) 0.0409(9) Uani 1 1 d . . .
C8 C -0.1888(3) 0.0179(4) 0.0789(3) 0.0462(10) Uani 1 1 d . . .
H8 H -0.1942 -0.0656 0.0598 0.055 Uiso 1 1 calc R . .
C9 C -0.2934(4) 0.0418(4) 0.0324(3) 0.0464(10) Uani 1 1 d . . .
H9 H -0.3698 -0.0248 -0.0174 0.056 Uiso 1 1 calc R . .
C10 C -0.2858(4) 0.1639(4) 0.0590(3) 0.0463(9) Uani 1 1 d . . .
H10 H -0.3559 0.1822 0.0266 0.056 Uiso 1 1 calc R . .
C11 C -0.1756(4) 0.2592(4) 0.1330(2) 0.0451(9) Uani 1 1 d . . .
H11 H -0.1726 0.3415 0.1521 0.054 Uiso 1 1 calc R . .
C12 C -0.0688(3) 0.2358(4) 0.1799(2) 0.0401(9) Uani 1 1 d . . .
C13 C 0.0059(3) -0.1097(4) 0.1636(3) 0.0437(9) Uani 1 1 d . . .
C14 C 0.0656(3) -0.1420(4) 0.1070(3) 0.0440(9) Uani 1 1 d . . .
H14 H 0.1381 -0.0712 0.0960 0.053 Uiso 1 1 calc R . .
C15 C 0.0236(4) -0.2720(4) 0.0668(3) 0.0456(9) Uani 1 1 d . . .
H15 H 0.0676 -0.2897 0.0294 0.055 Uiso 1 1 calc R . .
C16 C -0.0832(4) -0.3768(4) 0.0812(3) 0.0505(10) Uani 1 1 d . . .
H16 H -0.1143 -0.4668 0.0528 0.061 Uiso 1 1 calc R . .
C17 C -0.1445(4) -0.3490(4) 0.1375(3) 0.0478(10) Uani 1 1 d . . .
H17 H -0.2175 -0.4211 0.1474 0.057 Uiso 1 1 calc R . .
C18 C -0.1011(4) -0.2171(4) 0.1802(3) 0.0431(9) Uani 1 1 d . . .
C19 C 0.5244(4) 0.0774(4) 0.3184(3) 0.0496(10) Uani 1 1 d . . .
H19 H 0.6071 0.1632 0.3225 0.059 Uiso 1 1 calc R . .
C20 C 0.4808(5) -0.0236(5) 0.2343(3) 0.0653(13) Uani 1 1 d . . .
H20A H 0.5578 -0.0413 0.2352 0.098 Uiso 1 1 calc R . .
H20B H 0.4584 0.0121 0.1843 0.098 Uiso 1 1 calc R . .
H20C H 0.3979 -0.1071 0.2289 0.098 Uiso 1 1 calc R . .
C21 C 0.5666(4) 0.0248(5) 0.3983(3) 0.0700(14) Uani 1 1 d . . .
H21A H 0.4841 -0.0552 0.3975 0.105 Uiso 1 1 calc R . .
H21B H 0.6032 0.0942 0.4525 0.105 Uiso 1 1 calc R . .
H21C H 0.6391 0.0021 0.3953 0.105 Uiso 1 1 calc R . .
C22 C 0.4697(7) 0.2552(5) 0.4191(4) 0.0929(18) Uani 1 1 d . . .
H22 H 0.5121 0.2194 0.4644 0.111 Uiso 1 1 calc R . .
C23 C 0.3827(7) 0.2791(8) 0.4542(5) 0.156(4) Uani 1 1 d . . .
H23A H 0.4396 0.3570 0.5053 0.235 Uiso 1 1 calc R . .
H23B H 0.3274 0.2005 0.4721 0.235 Uiso 1 1 calc R . .
H23C H 0.3194 0.2968 0.4100 0.235 Uiso 1 1 calc R . .
C24 C 0.5968(6) 0.3772(5) 0.4226(4) 0.100(2) Uani 1 1 d . . .
H24A H 0.5701 0.4186 0.3771 0.150 Uiso 1 1 calc R . .
H24B H 0.6648 0.3524 0.4128 0.150 Uiso 1 1 calc R . .
H24C H 0.6390 0.4409 0.4803 0.150 Uiso 1 1 calc R . .
C25 C 0.1177(4) 0.5204(4) 0.2500(3) 0.0475(10) Uani 1 1 d . . .
H25 H 0.0310 0.5292 0.2345 0.057 Uiso 1 1 calc R . .
C26 C 0.2355(4) 0.6394(4) 0.3282(3) 0.0593(11) Uani 1 1 d . . .
H26A H 0.3189 0.6286 0.3458 0.089 Uiso 1 1 calc R . .
H26B H 0.2034 0.6418 0.3776 0.089 Uiso 1 1 calc R . .
H26C H 0.2589 0.7233 0.3110 0.089 Uiso 1 1 calc R . .
C27 C 0.1641(4) 0.5216(4) 0.1707(3) 0.0574(11) Uani 1 1 d . . .
H27A H 0.1950 0.6100 0.1593 0.086 Uiso 1 1 calc R . .
H27B H 0.0850 0.4536 0.1191 0.086 Uiso 1 1 calc R . .
H27C H 0.2417 0.5019 0.1830 0.086 Uiso 1 1 calc R . .
C28 C -0.0194(5) 0.3549(5) 0.3546(3) 0.0672(13) Uani 1 1 d D . .
H28A H 0.0544 0.4156 0.4121 0.050 Uiso 0.51 1 d P A 1
C29 C -0.0791(7) 0.2190(6) 0.3711(4) 0.104(3) Uani 1 1 d PDU A .
H29A H -0.0048 0.2003 0.3985 0.157 Uiso 1 1 d P . .
H29B H -0.1422 0.1505 0.3137 0.157 Uiso 1 1 d P . .
H29C H -0.1352 0.2135 0.4076 0.157 Uiso 1 1 d P . .
C30A C -0.1199(8) 0.4111(9) 0.3351(6) 0.059(3) Uani 0.510(11) 1 d P A 1
H30A H -0.1940 0.3567 0.2775 0.050 Uiso 0.51 1 d P A 1
H30B H -0.0682 0.5031 0.3334 0.050 Uiso 0.51 1 d P A 1
H30C H -0.1604 0.4047 0.3801 0.050 Uiso 0.51 1 d P A 1
H28B H -0.0970 0.3745 0.3274 0.050 Uiso 0.49 1 d P A 2
C30B C 0.0499(11) 0.4272(10) 0.4420(5) 0.080(4) Uani 0.490(11) 1 d PD A 2
H30D H -0.0090 0.3994 0.4753 0.050 Uiso 0.49 1 d P A 2
H30E H 0.0869 0.5243 0.4457 0.050 Uiso 0.49 1 d P A 2
H30F H 0.1338 0.4153 0.4667 0.050 Uiso 0.49 1 d P A 2
C31 C -0.3577(4) -0.3209(4) 0.2171(3) 0.0636(13) Uani 1 1 d . . .
H31 H -0.3518 -0.4050 0.2077 0.076 Uiso 1 1 d . . .
C32 C -0.4255(5) -0.3207(5) 0.2857(4) 0.0816(16) Uani 1 1 d . . .
H32A H -0.4347 -0.2401 0.2941 0.122 Uiso 1 1 calc R . .
H32B H -0.3666 -0.3218 0.3414 0.122 Uiso 1 1 calc R . .
H32C H -0.5186 -0.4003 0.2656 0.122 Uiso 1 1 calc R . .
C33 C -0.4436(4) -0.3155(5) 0.1296(3) 0.0751(14) Uani 1 1 d . . .
H33A H -0.5386 -0.3926 0.1081 0.113 Uiso 1 1 calc R . .
H33B H -0.3986 -0.3179 0.0869 0.113 Uiso 1 1 calc R . .
H33C H -0.4488 -0.2326 0.1375 0.113 Uiso 1 1 calc R . .
C34 C -0.0925(5) -0.2127(5) 0.3582(3) 0.0679(13) Uani 1 1 d D . .
H34A H -0.1188 -0.1866 0.4088 0.050 Uiso 0.54 1 d P B 3
C35A C -0.1174(10) -0.3612(9) 0.3464(6) 0.068(3) Uani 0.54(1) 1 d P B 3
H35A H -0.0799 -0.3808 0.3044 0.050 Uiso 0.54 1 d P B 3
H35B H -0.2214 -0.4257 0.3244 0.050 Uiso 0.54 1 d P B 3
H35C H -0.0755 -0.3738 0.4029 0.050 Uiso 0.54 1 d P B 3
H34B H -0.1416 -0.3108 0.3576 0.050 Uiso 0.46 1 d P B 4
C35B C -0.0946(17) -0.1169(17) 0.4335(9) 0.116(7) Uani 0.46(1) 1 d P B 4
H35D H -0.1327 -0.1718 0.4733 0.050 Uiso 0.46 1 d P B 4
H35E H -0.1608 -0.0865 0.4074 0.050 Uiso 0.46 1 d P B 4
H35F H -0.0033 -0.0456 0.4654 0.050 Uiso 0.46 1 d P B 4
C36 C 0.0623(6) -0.1482(8) 0.3829(4) 0.114(4) Uani 1 1 d . . .
H36A H 0.1078 -0.0591 0.3985 0.172 Uiso 1 1 d P . .
H36B H 0.0780 -0.1857 0.3286 0.172 Uiso 1 1 d P . .
H36C H 0.0973 -0.1902 0.4280 0.172 Uiso 1 1 d P . .
H1 H 0.100(3) 0.106(3) 0.312(2) 0.036(9) Uiso 1 1 d . . .
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'
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'
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
C13 Si1 C7 109.13(16) . . ?
C13 Si1 C1 106.76(17) . . ?
C7 Si1 C1 108.22(15) . . ?
C13 Si1 H1 111.8(12) . . ?
C7 Si1 H1 110.0(11) . . ?
C1 Si1 H1 110.9(11) . . ?
C6 P1 C19 102.29(17) . . ?
C6 P1 C22 102.9(2) . . ?
C19 P1 C22 101.2(2) . . ?
C12 P2 C25 102.22(17) . . ?
C12 P2 C28 99.5(2) . . ?
C25 P2 C28 103.72(19) . . ?
C18 P3 C31 102.54(19) . . ?
C18 P3 C34 102.23(19) . . ?
C31 P3 C34 100.6(2) . . ?
C2 C1 C6 118.7(3) . . ?
C2 C1 Si1 117.6(3) . . ?
C6 C1 Si1 123.5(3) . . ?
C1 C2 C3 122.1(3) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 H2 119.0 . . ?
C4 C3 C2 119.2(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 118.4(4) . . ?
C5 C6 P1 123.7(3) . . ?
C1 C6 P1 117.9(3) . . ?
C12 C7 C8 117.6(3) . . ?
C12 C7 Si1 123.3(3) . . ?
C8 C7 Si1 119.1(3) . . ?
C9 C8 C7 122.3(4) . . ?
C9 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
C8 C9 C10 119.4(4) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C9 C10 C11 119.8(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 121.0(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 119.9(3) . . ?
C11 C12 P2 122.2(3) . . ?
C7 C12 P2 117.9(3) . . ?
C14 C13 C18 117.7(4) . . ?
C14 C13 Si1 119.0(3) . . ?
C18 C13 Si1 123.3(3) . . ?
C15 C14 C13 122.8(3) . . ?
C15 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C14 C15 C16 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C15 C16 C17 119.4(4) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C16 C17 C18 121.6(3) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C13 118.9(4) . . ?
C17 C18 P3 123.2(3) . . ?
C13 C18 P3 117.8(3) . . ?
C20 C19 C21 110.0(3) . . ?
C20 C19 P1 110.2(3) . . ?
C21 C19 P1 109.8(3) . . ?
C20 C19 H19 108.9 . . ?
C21 C19 H19 108.9 . . ?
P1 C19 H19 108.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C24 115.1(6) . . ?
C23 C22 P1 115.9(5) . . ?
C24 C22 P1 118.0(4) . . ?
C23 C22 H22 101.2 . . ?
C24 C22 H22 101.2 . . ?
P1 C22 H22 101.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C26 109.6(3) . . ?
C27 C25 P2 109.4(3) . . ?
C26 C25 P2 110.2(3) . . ?
C27 C25 H25 109.2 . . ?
C26 C25 H25 109.2 . . ?
P2 C25 H25 109.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30B C28 C29 96.4(6) . . ?
C30B C28 C30A 94.8(6) . . ?
C29 C28 C30A 115.1(5) . . ?
C30B C28 P2 121.5(6) . . ?
C29 C28 P2 109.2(3) . . ?
C30A C28 P2 117.9(4) . . ?
C29 C28 H28A 104.3 . . ?
C30A C28 H28A 104.0 . . ?
P2 C28 H28A 104.8 . . ?
C30B C28 H28B 109.0 . . ?
C29 C28 H28B 110.1 . . ?
P2 C28 H28B 109.8 . . ?
H28A C28 H28B 118.3 . . ?
C28 C29 H29A 110.5 . . ?
C28 C29 H29B 108.6 . . ?
H29A C29 H29B 108.8 . . ?
C28 C29 H29C 109.9 . . ?
H29A C29 H29C 110.8 . . ?
H29B C29 H29C 108.1 . . ?
C28 C30A H30A 107.7 . . ?
C28 C30A H30B 108.6 . . ?
H30A C30A H30B 109.9 . . ?
C28 C30A H30C 108.8 . . ?
H30A C30A H30C 110.1 . . ?
H30B C30A H30C 111.5 . . ?
H30A C30A H28B 83.4 . . ?
H30B C30A H28B 117.1 . . ?
H30C C30A H28B 120.6 . . ?
C28 C30B H30D 112.1 . . ?
H28A C30B H30D 144.5 . . ?
C28 C30B H30E 109.2 . . ?
H28A C30B H30E 94.8 . . ?
H30D C30B H30E 110.7 . . ?
C28 C30B H30F 108.3 . . ?
H28A C30B H30F 84.5 . . ?
H30D C30B H30F 109.9 . . ?
H30E C30B H30F 106.4 . . ?
C33 C31 C32 111.6(4) . . ?
C33 C31 P3 109.3(3) . . ?
C32 C31 P3 109.9(3) . . ?
C33 C31 H31 108.4 . . ?
C32 C31 H31 108.9 . . ?
P3 C31 H31 108.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 C35B 97.5(8) . . ?
C36 C34 C35A 95.2(5) . . ?
C35B C34 C35A 131.4(6) . . ?
C36 C34 P3 111.9(3) . . ?
C35B C34 P3 102.3(5) . . ?
C35A C34 P3 115.7(5) . . ?
C36 C34 H34A 111.2 . . ?
C35A C34 H34A 110.8 . . ?
P3 C34 H34A 111.1 . . ?
C36 C34 H34B 115.6 . . ?
C35B C34 H34B 113.8 . . ?
P3 C34 H34B 113.7 . . ?
H34A C34 H34B 91.6 . . ?
C34 C35A H35A 110.4 . . ?
C34 C35A H35B 109.0 . . ?
H35A C35A H35B 108.7 . . ?
C34 C35A H35C 110.3 . . ?
H35A C35A H35C 111.2 . . ?
H35B C35A H35C 107.3 . . ?
H35A C35A H34B 136.7 . . ?
H35B C35A H34B 81.9 . . ?
H35C C35A H34B 104.8 . . ?
C34 C35B H35D 107.7 . . ?
H34A C35B H35D 77.7 . . ?
C34 C35B H35E 108.9 . . ?
H34A C35B H35E 111.0 . . ?
H35D C35B H35E 107.0 . . ?
C34 C35B H35F 110.4 . . ?
H34A C35B H35F 130.4 . . ?
H35D C35B H35F 110.0 . . ?
H35E C35B H35F 112.7 . . ?
C34 C36 H36A 115.4 . . ?
C34 C36 H36B 105.2 . . ?
H36A C36 H36B 111.3 . . ?
C34 C36 H36C 107.2 . . ?
H36A C36 H36C 114.4 . . ?
H36B C36 H36C 102.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C13 1.891(4) . ?
Si1 C7 1.897(3) . ?
Si1 C1 1.901(4) . ?
Si1 H1 1.56(3) . ?
P1 C6 1.839(4) . ?
P1 C19 1.843(4) . ?
P1 C22 1.882(5) . ?
P2 C12 1.848(4) . ?
P2 C25 1.858(4) . ?
P2 C28 1.871(4) . ?
P3 C18 1.850(4) . ?
P3 C31 1.862(4) . ?
P3 C34 1.875(5) . ?
C1 C2 1.394(5) . ?
C1 C6 1.413(5) . ?
C2 C3 1.396(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.392(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(5) . ?
C5 H5 0.9500 . ?
C7 C12 1.405(5) . ?
C7 C8 1.406(5) . ?
C8 C9 1.382(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.386(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(5) . ?
C11 H11 0.9500 . ?
C13 C14 1.400(5) . ?
C13 C18 1.420(5) . ?
C14 C15 1.378(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.392(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.403(5) . ?
C17 H17 0.9500 . ?
C19 C20 1.514(6) . ?
C19 C21 1.551(5) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.382(8) . ?
C22 C24 1.490(7) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.535(5) . ?
C25 C26 1.547(5) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30B 1.389(7) . ?
C28 C29 1.499(6) . ?
C28 C30A 1.524(9) . ?
C28 H28A 0.9974 . ?
C28 H28B 1.0046 . ?
C29 H29A 0.9676 . ?
C29 H29B 1.0002 . ?
C29 H29C 0.9763 . ?
C30A H30A 0.9853 . ?
C30A H30B 0.9690 . ?
C30A H30C 0.9666 . ?
C30A H28B 0.6047 . ?
C30B H28A 0.5191 . ?
C30B H30D 0.9499 . ?
C30B H30E 0.9947 . ?
C30B H30F 1.0041 . ?
C31 C33 1.527(7) . ?
C31 C32 1.533(6) . ?
C31 H31 1.0002 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.486(6) . ?
C34 C35B 1.581(14) . ?
C34 C35A 1.589(10) . ?
C34 H34A 1.0167 . ?
C34 H34B 1.0147 . ?
C35A H35A 0.9611 . ?
C35A H35B 1.0083 . ?
C35A H35C 0.9788 . ?
C35A H34B 0.7711 . ?
C35B H34A 0.7484 . ?
C35B H35D 1.0108 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9419 . ?
C36 H36A 0.8895 . ?
C36 H36B 1.0453 . ?
C36 H36C 1.0131 . ?
