#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/46/4084655.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_4084655
loop_
_publ_author_name
'Kameo, Hajime'
'Kawamoto, Tatsuya'
'Sakaki, Shigeyoshi'
'Bourissou, Didier'
'Nakazawa, Hiroshi'
_publ_section_title
;
 Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of
 Silicon and Germanium Featuring Three Phosphine Donors
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              6557
_journal_paper_doi               10.1021/om500906f
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C54 H42 F P3 Si, 0.5(C6 H14)'
_chemical_formula_sum            'C57 H49 F P3 Si'
_chemical_formula_weight         873.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.601(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9325(9)
_cell_length_b                   9.3509(5)
_cell_length_c                   31.6757(19)
_cell_measurement_reflns_used    9469
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0112
_cell_volume                     4714.3(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details
;
scan:
    Number of images: 600
               Slice: -80.0000 - 100.0000
         Image width: 0.3000
            Exp time: 18.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 55.2260
              2theta: 24.8001
scan:
    Number of images: 200
               Slice: -15.0000 - 45.0000
         Image width: 0.3000
            Exp time: 18.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 0.0000
                 XTD: 55.2260
              2theta: 24.8001
scan:
    Number of images: 200
               Slice: -15.0000 - 45.0000
         Image width: 0.3000
            Exp time: 18.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 90.0000
                 XTD: 55.2260
              2theta: 24.8001
scan:
    Number of images: 200
               Slice: -15.0000 - 45.0000
         Image width: 0.3000
            Exp time: 18.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 180.0000
                 XTD: 55.2260
              2theta: 24.8001
scan:
    Number of images: 200
               Slice: -15.0000 - 45.0000
         Image width: 0.3000
            Exp time: 18.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 90.0000
                 Phi: 270.0000
                 XTD: 55.2260
              2theta: 24.8001

;
_diffrn_measurement_device       'Mercury CCD (2x2 bin mode)'
_diffrn_measurement_device_details 'AFC7: Eulerian 3-circle'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       'ω or φ'
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35169
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.31
_diffrn_source_current           250.0000
_diffrn_source_power             12.5000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_T_max  0.9866
_exptl_absorpt_correction_T_min  0.9533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB(Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1836
_exptl_crystal_preparation
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 200(2) K'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.617
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.230
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         10601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.230
_refine_ls_R_factor_all          0.0993
_refine_ls_R_factor_gt           0.0875
_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)+(0.0551P)²+8.4864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1832
_refine_ls_wR_factor_ref         0.1886
_reflns_number_gt                9591
_reflns_number_total             10601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500906f_si_003.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4084655--4084660.cif.
;
_cod_original_sg_symbol_Hall     ' -P 2yn '
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4084655
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Si1 Si 0.57768(5) 0.10410(9) 0.32785(3) 0.02013(18) Uani 1 1 d .
F1 F 0.63946(12) 0.19702(19) 0.35848(6) 0.0277(4) Uani 1 1 d .
P1 P 0.40734(6) 0.04021(9) 0.26312(3) 0.0297(2) Uani 1 1 d .
P2 P 0.74104(5) -0.09052(9) 0.36618(3) 0.02523(19) Uani 1 1 d .
P3 P 0.46746(6) 0.21568(9) 0.41078(3) 0.0282(2) Uani 1 1 d .
C1 C 0.51882(19) 0.2463(3) 0.29667(9) 0.0225(6) Uani 1 1 d .
C2 C 0.5503(2) 0.3854(4) 0.30055(10) 0.0302(7) Uani 1 1 d .
H2A H 0.5963 0.4038 0.3199 0.036 Uiso 1 1 calc R
C3 C 0.5161(3) 0.4970(4) 0.27680(12) 0.0369(8) Uani 1 1 d .
H3A H 0.5390 0.5905 0.2798 0.044 Uiso 1 1 calc R
C4 C 0.4492(2) 0.4731(4) 0.24894(13) 0.0389(9) Uani 1 1 d .
H4A H 0.4256 0.5498 0.2327 0.047 Uiso 1 1 calc R
C5 C 0.4158(2) 0.3363(4) 0.24451(12) 0.0360(8) Uani 1 1 d .
H5A H 0.3694 0.3201 0.2252 0.043 Uiso 1 1 calc R
C6 C 0.44959(19) 0.2232(3) 0.26797(10) 0.0252(6) Uani 1 1 d .
C7 C 0.3186(2) 0.0437(4) 0.29793(11) 0.0290(7) Uani 1 1 d .
C8 C 0.2659(2) 0.1599(4) 0.30215(12) 0.0381(8) Uani 1 1 d .
H8A H 0.2753 0.2447 0.2865 0.046 Uiso 1 1 calc R
C9 C 0.1993(3) 0.1542(4) 0.32896(13) 0.0411(9) Uani 1 1 d .
H9A H 0.1640 0.2351 0.3318 0.049 Uiso 1 1 calc R
C10 C 0.1846(2) 0.0315(4) 0.35142(13) 0.0417(9) Uani 1 1 d .
H10A H 0.1386 0.0270 0.3694 0.050 Uiso 1 1 calc R
C11 C 0.2371(2) -0.0853(4) 0.34764(13) 0.0421(9) Uani 1 1 d .
H11A H 0.2277 -0.1693 0.3636 0.051 Uiso 1 1 calc R
C12 C 0.3033(2) -0.0804(4) 0.32072(12) 0.0363(8) Uani 1 1 d .
H12A H 0.3383 -0.1617 0.3178 0.044 Uiso 1 1 calc R
C13 C 0.3555(2) 0.0433(4) 0.21002(11) 0.0319(7) Uani 1 1 d .
C14 C 0.2690(2) 0.0336(4) 0.20224(12) 0.0348(8) Uani 1 1 d .
H14A H 0.2328 0.0311 0.2253 0.042 Uiso 1 1 calc R
C15 C 0.2351(3) 0.0274(4) 0.16094(14) 0.0455(10) Uani 1 1 d .
H15A H 0.1761 0.0181 0.1560 0.055 Uiso 1 1 calc R
C16 C 0.2867(3) 0.0347(4) 0.12733(13) 0.0476(10) Uani 1 1 d .
H16A H 0.2633 0.0332 0.0992 0.057 Uiso 1 1 calc R
C17 C 0.3723(3) 0.0443(5) 0.13466(13) 0.0490(10) Uani 1 1 d .
H17A H 0.4080 0.0489 0.1115 0.059 Uiso 1 1 calc R
C18 C 0.4070(3) 0.0474(5) 0.17567(12) 0.0438(9) Uani 1 1 d .
H18A H 0.4662 0.0523 0.1803 0.053 Uiso 1 1 calc R
C19 C 0.64742(18) -0.0018(3) 0.29331(9) 0.0201(6) Uani 1 1 d .
C20 C 0.6328(2) 0.0047(3) 0.24949(10) 0.0260(6) Uani 1 1 d .
H20A H 0.5897 0.0656 0.2382 0.031 Uiso 1 1 calc R
C21 C 0.6796(2) -0.0757(4) 0.22200(11) 0.0339(8) Uani 1 1 d .
H21A H 0.6688 -0.0686 0.1923 0.041 Uiso 1 1 calc R
C22 C 0.7417(2) -0.1655(4) 0.23803(11) 0.0369(8) Uani 1 1 d .
H22A H 0.7727 -0.2228 0.2195 0.044 Uiso 1 1 calc R
C23 C 0.7589(2) -0.1724(4) 0.28111(11) 0.0334(8) Uani 1 1 d .
H23A H 0.8021 -0.2341 0.2919 0.040 Uiso 1 1 calc R
C24 C 0.7137(2) -0.0898(3) 0.30903(10) 0.0247(6) Uani 1 1 d .
C25 C 0.7782(2) -0.2749(3) 0.37529(9) 0.0255(6) Uani 1 1 d .
C26 C 0.7160(2) -0.3756(4) 0.38297(11) 0.0320(7) Uani 1 1 d .
H26A H 0.6587 -0.3473 0.3815 0.038 Uiso 1 1 calc R
C27 C 0.7363(2) -0.5159(4) 0.39266(11) 0.0354(8) Uani 1 1 d .
H27A H 0.6931 -0.5830 0.3977 0.043 Uiso 1 1 calc R
C28 C 0.8193(3) -0.5584(4) 0.39503(11) 0.0364(8) Uani 1 1 d .
H28A H 0.8336 -0.6545 0.4019 0.044 Uiso 1 1 calc R
C29 C 0.8813(2) -0.4601(4) 0.38733(12) 0.0376(8) Uani 1 1 d .
H29A H 0.9385 -0.4893 0.3889 0.045 Uiso 1 1 calc R
C30 C 0.8615(2) -0.3190(4) 0.37736(11) 0.0322(7) Uani 1 1 d .
H30A H 0.9049 -0.2528 0.3720 0.039 Uiso 1 1 calc R
C31 C 0.8392(2) 0.0124(3) 0.36891(11) 0.0299(7) Uani 1 1 d .
C32 C 0.8795(3) 0.0304(4) 0.40878(13) 0.0422(9) Uani 1 1 d .
H32A H 0.8567 -0.0140 0.4327 0.051 Uiso 1 1 calc R
C33 C 0.9516(3) 0.1114(5) 0.41405(16) 0.0526(11) Uani 1 1 d .
H33A H 0.9789 0.1203 0.4412 0.063 Uiso 1 1 calc R
C34 C 0.9840(3) 0.1792(4) 0.37989(16) 0.0490(11) Uani 1 1 d .
H34A H 1.0334 0.2357 0.3835 0.059 Uiso 1 1 calc R
C35 C 0.9453(3) 0.1656(5) 0.34059(15) 0.0484(10) Uani 1 1 d .
H35A H 0.9676 0.2135 0.3171 0.058 Uiso 1 1 calc R
C36 C 0.8737(2) 0.0819(4) 0.33491(13) 0.0388(8) Uani 1 1 d .
H36A H 0.8479 0.0721 0.3074 0.047 Uiso 1 1 calc R
C37 C 0.51706(18) -0.0188(3) 0.36199(9) 0.0216(6) Uani 1 1 d .
C38 C 0.5181(2) -0.1647(3) 0.35193(10) 0.0261(6) Uani 1 1 d .
H38A H 0.5463 -0.1951 0.3277 0.031 Uiso 1 1 calc R
C39 C 0.4790(2) -0.2666(3) 0.37639(11) 0.0305(7) Uani 1 1 d .
H39A H 0.4807 -0.3649 0.3689 0.037 Uiso 1 1 calc R
C40 C 0.4379(2) -0.2235(4) 0.41137(11) 0.0337(8) Uani 1 1 d .
H40A H 0.4113 -0.2924 0.4283 0.040 Uiso 1 1 calc R
C41 C 0.4352(2) -0.0803(4) 0.42217(11) 0.0324(7) Uani 1 1 d .
H41A H 0.4061 -0.0520 0.4463 0.039 Uiso 1 1 calc R
C42 C 0.4745(2) 0.0237(3) 0.39811(10) 0.0242(6) Uani 1 1 d .
C43 C 0.3828(2) 0.2191(3) 0.44829(10) 0.0286(7) Uani 1 1 d .
C44 C 0.3946(2) 0.2002(4) 0.49158(11) 0.0341(8) Uani 1 1 d .
H44A H 0.4494 0.1813 0.5034 0.041 Uiso 1 1 calc R
C45 C 0.3272(3) 0.2085(4) 0.51779(12) 0.0403(9) Uani 1 1 d .
H45A H 0.3362 0.1959 0.5474 0.048 Uiso 1 1 calc R
C46 C 0.2477(3) 0.2349(5) 0.50104(14) 0.0495(11) Uani 1 1 d .
H46A H 0.2018 0.2414 0.5190 0.059 Uiso 1 1 calc R
C47 C 0.2349(3) 0.2519(5) 0.45810(15) 0.0554(11) Uani 1 1 d .
H47A H 0.1798 0.2688 0.4464 0.067 Uiso 1 1 calc R
C48 C 0.3023(3) 0.2442(5) 0.43177(12) 0.0435(9) Uani 1 1 d .
H48A H 0.2930 0.2564 0.4022 0.052 Uiso 1 1 calc R
C49 C 0.5595(2) 0.2466(3) 0.44647(10) 0.0275(7) Uani 1 1 d .
C50 C 0.6217(2) 0.1473(4) 0.45505(11) 0.0349(8) Uani 1 1 d .
H50A H 0.6174 0.0550 0.4426 0.042 Uiso 1 1 calc R
C51 C 0.6909(3) 0.1799(4) 0.48163(13) 0.0434(9) Uani 1 1 d .
H51A H 0.7333 0.1103 0.4873 0.052 Uiso 1 1 calc R
C52 C 0.6977(3) 0.3141(5) 0.49978(12) 0.0433(9) Uani 1 1 d .
H52A H 0.7450 0.3370 0.5178 0.052 Uiso 1 1 calc R
C53 C 0.6360(3) 0.4142(4) 0.49168(13) 0.0443(10) Uani 1 1 d .
H53A H 0.6403 0.5058 0.5046 0.053 Uiso 1 1 calc R
C54 C 0.5680(3) 0.3825(4) 0.46503(12) 0.0375(8) Uani 1 1 d .
H54A H 0.5263 0.4532 0.4591 0.045 Uiso 1 1 calc R
C55 C 0.4275(8) 0.3045(14) 0.0350(4) 0.168(4) Uiso 1 1 d .
H55A H 0.4766 0.3482 0.0495 0.253 Uiso 1 1 calc R
H55B H 0.3830 0.2912 0.0550 0.253 Uiso 1 1 calc R
H55C H 0.4071 0.3671 0.0119 0.253 Uiso 1 1 calc R
C56 C 0.4491(10) 0.1763(19) 0.0190(5) 0.209(6) Uiso 1 1 d .
H56A H 0.4261 0.1149 0.0412 0.251 Uiso 1 1 calc R
H56B H 0.4060 0.1715 -0.0044 0.251 Uiso 1 1 calc R
C57 C 0.5039(9) 0.0818(12) 0.0038(4) 0.174(5) Uiso 1 1 d .
H57A H 0.5552 0.0926 0.0224 0.209 Uiso 1 1 calc R
H57B H 0.5183 0.1214 -0.0239 0.209 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'
F F 0.0171 0.0103 '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
F1 Si1 C37 107.51(12) . .
F1 Si1 C19 105.95(12) . .
C37 Si1 C19 110.28(13) . .
F1 Si1 C1 102.25(12) . .
C37 Si1 C1 118.58(13) . .
C19 Si1 C1 111.16(13) . .
F1 Si1 P1 156.29(8) . .
C7 P1 C13 102.88(16) . .
C7 P1 C6 102.84(14) . .
C13 P1 C6 102.07(15) . .
C31 P2 C25 102.49(15) . .
C31 P2 C24 101.96(15) . .
C25 P2 C24 102.56(14) . .
C49 P3 C43 100.88(15) . .
C49 P3 C42 103.45(15) . .
C43 P3 C42 102.20(14) . .
C2 C1 C6 117.7(3) . .
C2 C1 Si1 116.3(2) . .
C6 C1 Si1 125.8(2) . .
C3 C2 C1 121.5(3) . .
C3 C2 H2A 119.2 . .
C1 C2 H2A 119.2 . .
C4 C3 C2 120.2(3) . .
C4 C3 H3A 119.9 . .
C2 C3 H3A 119.9 . .
C3 C4 C5 119.8(3) . .
C3 C4 H4A 120.1 . .
C5 C4 H4A 120.1 . .
C6 C5 C4 120.7(3) . .
C6 C5 H5A 119.6 . .
C4 C5 H5A 119.6 . .
C5 C6 C1 120.0(3) . .
C5 C6 P1 122.2(3) . .
C1 C6 P1 117.8(2) . .
C8 C7 C12 118.9(3) . .
C8 C7 P1 124.1(3) . .
C12 C7 P1 117.1(3) . .
C7 C8 C9 120.8(3) . .
C7 C8 H8A 119.6 . .
C9 C8 H8A 119.6 . .
C10 C9 C8 120.1(4) . .
C10 C9 H9A 120.0 . .
C8 C9 H9A 120.0 . .
C9 C10 C11 119.7(3) . .
C9 C10 H10A 120.2 . .
C11 C10 H10A 120.2 . .
C10 C11 C12 120.5(3) . .
C10 C11 H11A 119.8 . .
C12 C11 H11A 119.8 . .
C11 C12 C7 120.1(3) . .
C11 C12 H12A 120.0 . .
C7 C12 H12A 120.0 . .
C14 C13 C18 118.5(3) . .
C14 C13 P1 124.1(3) . .
C18 C13 P1 117.3(3) . .
C13 C14 C15 120.5(4) . .
C13 C14 H14A 119.8 . .
C15 C14 H14A 119.8 . .
C16 C15 C14 120.3(4) . .
C16 C15 H15A 119.9 . .
C14 C15 H15A 119.9 . .
C17 C16 C15 119.7(4) . .
C17 C16 H16A 120.2 . .
C15 C16 H16A 120.2 . .
C16 C17 C18 120.6(4) . .
C16 C17 H17A 119.7 . .
C18 C17 H17A 119.7 . .
C17 C18 C13 120.4(4) . .
C17 C18 H18A 119.8 . .
C13 C18 H18A 119.8 . .
C20 C19 C24 117.6(3) . .
C20 C19 Si1 118.7(2) . .
C24 C19 Si1 123.7(2) . .
C21 C20 C19 121.9(3) . .
C21 C20 H20A 119.1 . .
C19 C20 H20A 119.1 . .
C22 C21 C20 119.6(3) . .
C22 C21 H21A 120.2 . .
C20 C21 H21A 120.2 . .
C21 C22 C23 120.0(3) . .
C21 C22 H22A 120.0 . .
C23 C22 H22A 120.0 . .
C22 C23 C24 121.0(3) . .
C22 C23 H23A 119.5 . .
C24 C23 H23A 119.5 . .
C23 C24 C19 119.8(3) . .
C23 C24 P2 120.9(3) . .
C19 C24 P2 119.2(2) . .
C30 C25 C26 118.4(3) . .
C30 C25 P2 125.8(3) . .
C26 C25 P2 115.7(2) . .
C27 C26 C25 121.2(3) . .
C27 C26 H26A 119.4 . .
C25 C26 H26A 119.4 . .
C28 C27 C26 120.0(3) . .
C28 C27 H27A 120.0 . .
C26 C27 H27A 120.0 . .
C27 C28 C29 119.4(3) . .
C27 C28 H28A 120.3 . .
C29 C28 H28A 120.3 . .
C28 C29 C30 121.0(3) . .
C28 C29 H29A 119.5 . .
C30 C29 H29A 119.5 . .
C25 C30 C29 120.0(3) . .
C25 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C36 C31 C32 117.4(3) . .
C36 C31 P2 125.0(3) . .
C32 C31 P2 117.4(3) . .
C33 C32 C31 121.3(4) . .
C33 C32 H32A 119.3 . .
C31 C32 H32A 119.3 . .
C34 C33 C32 119.9(4) . .
C34 C33 H33A 120.1 . .
C32 C33 H33A 120.1 . .
C35 C34 C33 120.2(4) . .
C35 C34 H34A 119.9 . .
C33 C34 H34A 119.9 . .
C34 C35 C36 120.3(4) . .
C34 C35 H35A 119.9 . .
C36 C35 H35A 119.9 . .
C35 C36 C31 120.9(4) . .
C35 C36 H36A 119.5 . .
C31 C36 H36A 119.5 . .
C38 C37 C42 118.0(3) . .
C38 C37 Si1 117.0(2) . .
C42 C37 Si1 124.9(2) . .
C39 C38 C37 122.0(3) . .
C39 C38 H38A 119.0 . .
C37 C38 H38A 119.0 . .
C40 C39 C38 119.3(3) . .
C40 C39 H39A 120.3 . .
C38 C39 H39A 120.3 . .
C39 C40 C41 120.4(3) . .
C39 C40 H40A 119.8 . .
C41 C40 H40A 119.8 . .
C40 C41 C42 121.1(3) . .
C40 C41 H41A 119.4 . .
C42 C41 H41A 119.4 . .
C41 C42 C37 119.2(3) . .
C41 C42 P3 121.6(2) . .
C37 C42 P3 119.1(2) . .
C48 C43 C44 118.6(3) . .
C48 C43 P3 117.0(3) . .
C44 C43 P3 124.5(3) . .
C43 C44 C45 120.6(4) . .
C43 C44 H44A 119.7 . .
C45 C44 H44A 119.7 . .
C46 C45 C44 120.2(4) . .
C46 C45 H45A 119.9 . .
C44 C45 H45A 119.9 . .
C45 C46 C47 119.8(4) . .
C45 C46 H46A 120.1 . .
C47 C46 H46A 120.1 . .
C46 C47 C48 120.1(4) . .
C46 C47 H47A 119.9 . .
C48 C47 H47A 119.9 . .
C43 C48 C47 120.6(4) . .
C43 C48 H48A 119.7 . .
C47 C48 H48A 119.7 . .
C50 C49 C54 118.2(3) . .
C50 C49 P3 124.4(3) . .
C54 C49 P3 117.4(3) . .
C49 C50 C51 121.0(3) . .
C49 C50 H50A 119.5 . .
C51 C50 H50A 119.5 . .
C52 C51 C50 119.8(4) . .
C52 C51 H51A 120.1 . .
C50 C51 H51A 120.1 . .
C53 C52 C51 120.0(4) . .
C53 C52 H52A 120.0 . .
C51 C52 H52A 120.0 . .
C52 C53 C54 120.3(3) . .
C52 C53 H53A 119.8 . .
C54 C53 H53A 119.8 . .
C53 C54 C49 120.7(4) . .
C53 C54 H54A 119.7 . .
C49 C54 H54A 119.7 . .
C56 C55 H55A 109.5 . .
C56 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C56 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C57 C56 C55 153.7(15) . .
C57 C56 H56A 98.1 . .
C55 C56 H56A 98.1 . .
C57 C56 H56B 98.1 . .
C55 C56 H56B 98.1 . .
H56A C56 H56B 103.7 . .
C56 C57 C57 130.8(17) . 3_655
C56 C57 H57A 104.6 . .
C57 C57 H57A 104.6 3_655 .
C56 C57 H57B 104.6 . .
C57 C57 H57B 104.6 3_655 .
H57A C57 H57B 105.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 F1 1.606(2) .
Si1 C37 1.876(3) .
Si1 C19 1.877(3) .
Si1 C1 1.881(3) .
Si1 P3 3.3899(11) .
Si1 P2 3.3575(12) .
Si1 P1 3.3797(13) .
P1 C7 1.832(3) .
P1 C13 1.840(4) .
P1 C6 1.843(3) .
P2 C31 1.835(4) .
P2 C25 1.842(3) .
P2 C24 1.843(3) .
P3 C49 1.833(4) .
P3 C43 1.838(3) .
P3 C42 1.844(3) .
C1 C2 1.398(4) .
C1 C6 1.414(4) .
C2 C3 1.384(5) .
C2 H2A 0.9500 .
C3 C4 1.372(6) .
C3 H3A 0.9500 .
C4 C5 1.389(5) .
C4 H4A 0.9500 .
C5 C6 1.387(5) .
C5 H5A 0.9500 .
C7 C8 1.384(5) .
C7 C12 1.393(5) .
C8 C9 1.390(5) .
C8 H8A 0.9500 .
C9 C10 1.375(6) .
C9 H9A 0.9500 .
C10 C11 1.384(6) .
C10 H10A 0.9500 .
C11 C12 1.387(5) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.391(5) .
C13 C18 1.393(5) .
C14 C15 1.394(5) .
C14 H14A 0.9500 .
C15 C16 1.376(6) .
C15 H15A 0.9500 .
C16 C17 1.376(6) .
C16 H16A 0.9500 .
C17 C18 1.389(6) .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C19 C20 1.398(4) .
C19 C24 1.412(4) .
C20 C21 1.392(4) .
C20 H20A 0.9500 .
C21 C22 1.377(5) .
C21 H21A 0.9500 .
C22 C23 1.381(5) .
C22 H22A 0.9500 .
C23 C24 1.398(4) .
C23 H23A 0.9500 .
C25 C30 1.388(5) .
C25 C26 1.396(5) .
C26 C27 1.382(5) .
C26 H26A 0.9500 .
C27 C28 1.379(5) .
C27 H27A 0.9500 .
C28 C29 1.379(5) .
C28 H28A 0.9500 .
C29 C30 1.390(5) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 C36 1.392(5) .
C31 C32 1.401(5) .
C32 C33 1.380(6) .
C32 H32A 0.9500 .
C33 C34 1.375(7) .
C33 H33A 0.9500 .
C34 C35 1.370(6) .
C34 H34A 0.9500 .
C35 C36 1.388(6) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 C38 1.401(4) .
C37 C42 1.413(4) .
C38 C39 1.392(4) .
C38 H38A 0.9500 .
C39 C40 1.372(5) .
C39 H39A 0.9500 .
C40 C41 1.383(5) .
C40 H40A 0.9500 .
C41 C42 1.401(4) .
C41 H41A 0.9500 .
C43 C48 1.383(5) .
C43 C44 1.387(5) .
C44 C45 1.389(5) .
C44 H44A 0.9500 .
C45 C46 1.373(6) .
C45 H45A 0.9500 .
C46 C47 1.375(6) .
C46 H46A 0.9500 .
C47 C48 1.391(6) .
C47 H47A 0.9500 .
C48 H48A 0.9500 .
C49 C50 1.377(5) .
C49 C54 1.404(5) .
C50 C51 1.390(5) .
C50 H50A 0.9500 .
C51 C52 1.382(5) .
C51 H51A 0.9500 .
C52 C53 1.373(6) .
C52 H52A 0.9500 .
C53 C54 1.375(6) .
C53 H53A 0.9500 .
C54 H54A 0.9500 .
C55 C56 1.351(17) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 C57 1.347(16) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C57 1.55(2) 3_655
C57 H57A 0.9900 .
C57 H57B 0.9900 .
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_4
F1 Si1 C1 C2 11.5(3) .
C37 Si1 C1 C2 129.4(2) .
C19 Si1 C1 C2 -101.2(3) .
F1 Si1 C1 C6 -172.8(2) .
C37 Si1 C1 C6 -54.8(3) .
C19 Si1 C1 C6 74.5(3) .
C6 C1 C2 C3 -0.9(5) .
Si1 C1 C2 C3 175.2(3) .
C1 C2 C3 C4 0.6(5) .
C2 C3 C4 C5 -0.2(6) .
C3 C4 C5 C6 -0.1(6) .
C4 C5 C6 C1 -0.2(5) .
C4 C5 C6 P1 180.0(3) .
C2 C1 C6 C5 0.7(4) .
Si1 C1 C6 C5 -175.0(3) .
C2 C1 C6 P1 -179.5(2) .
Si1 C1 C6 P1 4.8(4) .
C7 P1 C6 C5 -83.0(3) .
C13 P1 C6 C5 23.4(3) .
C7 P1 C6 C1 97.1(3) .
C13 P1 C6 C1 -156.4(2) .
C13 P1 C7 C8 -68.3(3) .
C6 P1 C7 C8 37.5(3) .
C13 P1 C7 C12 110.4(3) .
C6 P1 C7 C12 -143.8(3) .
C12 C7 C8 C9 0.7(6) .
P1 C7 C8 C9 179.4(3) .
C7 C8 C9 C10 -0.6(6) .
C8 C9 C10 C11 0.9(6) .
C9 C10 C11 C12 -1.3(6) .
C10 C11 C12 C7 1.4(6) .
C8 C7 C12 C11 -1.1(5) .
P1 C7 C12 C11 -179.9(3) .
C7 P1 C13 C14 -6.4(3) .
C6 P1 C13 C14 -112.8(3) .
C7 P1 C13 C18 177.4(3) .
C6 P1 C13 C18 71.1(3) .
C18 C13 C14 C15 0.3(5) .
P1 C13 C14 C15 -175.8(3) .
C13 C14 C15 C16 -1.8(6) .
C14 C15 C16 C17 1.8(6) .
C15 C16 C17 C18 -0.3(7) .
C16 C17 C18 C13 -1.1(7) .
C14 C13 C18 C17 1.1(6) .
P1 C13 C18 C17 177.5(3) .
F1 Si1 C19 C20 -127.6(2) .
C37 Si1 C19 C20 116.4(2) .
C1 Si1 C19 C20 -17.2(3) .
F1 Si1 C19 C24 53.2(3) .
C37 Si1 C19 C24 -62.8(3) .
C1 Si1 C19 C24 163.5(2) .
C24 C19 C20 C21 2.1(5) .
Si1 C19 C20 C21 -177.2(3) .
C19 C20 C21 C22 0.6(5) .
C20 C21 C22 C23 -1.9(6) .
C21 C22 C23 C24 0.4(6) .
C22 C23 C24 C19 2.3(5) .
C22 C23 C24 P2 -176.2(3) .
C20 C19 C24 C23 -3.5(5) .
Si1 C19 C24 C23 175.7(3) .
C20 C19 C24 P2 175.0(2) .
Si1 C19 C24 P2 -5.7(4) .
C31 P2 C24 C23 72.7(3) .
C25 P2 C24 C23 -33.2(3) .
C31 P2 C24 C19 -105.8(3) .
C25 P2 C24 C19 148.3(2) .
C31 P2 C25 C30 -8.0(3) .
C24 P2 C25 C30 97.5(3) .
C31 P2 C25 C26 168.3(3) .
C24 P2 C25 C26 -86.2(3) .
C30 C25 C26 C27 0.4(5) .
P2 C25 C26 C27 -176.2(3) .
C25 C26 C27 C28 0.2(5) .
C26 C27 C28 C29 -0.5(5) .
C27 C28 C29 C30 0.2(6) .
C26 C25 C30 C29 -0.7(5) .
P2 C25 C30 C29 175.5(3) .
C28 C29 C30 C25 0.4(6) .
C25 P2 C31 C36 112.0(3) .
C24 P2 C31 C36 6.1(3) .
C25 P2 C31 C32 -72.6(3) .
C24 P2 C31 C32 -178.5(3) .
C36 C31 C32 C33 -1.4(6) .
P2 C31 C32 C33 -177.2(3) .
C31 C32 C33 C34 1.7(6) .
C32 C33 C34 C35 -0.6(6) .
C33 C34 C35 C36 -0.7(6) .
C34 C35 C36 C31 1.0(6) .
C32 C31 C36 C35 0.1(5) .
P2 C31 C36 C35 175.5(3) .
F1 Si1 C37 C38 -127.3(2) .
C19 Si1 C37 C38 -12.2(3) .
C1 Si1 C37 C38 117.6(3) .
F1 Si1 C37 C42 49.2(3) .
C19 Si1 C37 C42 164.3(3) .
C1 Si1 C37 C42 -65.9(3) .
C42 C37 C38 C39 -0.1(5) .
Si1 C37 C38 C39 176.6(3) .
C37 C38 C39 C40 0.2(5) .
C38 C39 C40 C41 0.2(6) .
C39 C40 C41 C42 -0.6(6) .
C40 C41 C42 C37 0.6(5) .
C40 C41 C42 P3 177.3(3) .
C38 C37 C42 C41 -0.2(5) .
Si1 C37 C42 C41 -176.7(3) .
C38 C37 C42 P3 -177.0(2) .
Si1 C37 C42 P3 6.5(4) .
C49 P3 C42 C41 91.2(3) .
C43 P3 C42 C41 -13.3(3) .
C49 P3 C42 C37 -92.1(3) .
C43 P3 C42 C37 163.4(3) .
C49 P3 C43 C48 160.1(3) .
C42 P3 C43 C48 -93.4(3) .
C49 P3 C43 C44 -19.0(3) .
C42 P3 C43 C44 87.5(3) .
C48 C43 C44 C45 -1.0(5) .
P3 C43 C44 C45 178.1(3) .
C43 C44 C45 C46 0.4(6) .
C44 C45 C46 C47 0.6(6) .
C45 C46 C47 C48 -0.9(7) .
C44 C43 C48 C47 0.7(6) .
P3 C43 C48 C47 -178.5(3) .
C46 C47 C48 C43 0.2(7) .
C43 P3 C49 C50 113.3(3) .
C42 P3 C49 C50 7.8(3) .
C43 P3 C49 C54 -68.9(3) .
C42 P3 C49 C54 -174.4(3) .
C54 C49 C50 C51 0.5(5) .
P3 C49 C50 C51 178.3(3) .
C49 C50 C51 C52 -0.1(6) .
C50 C51 C52 C53 0.3(6) .
C51 C52 C53 C54 -1.0(6) .
C52 C53 C54 C49 1.5(6) .
C50 C49 C54 C53 -1.2(5) .
P3 C49 C54 C53 -179.1(3) .
C55 C56 C57 C57 166(3) 3_655
