#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/57/4085727.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_4085727
loop_
_publ_author_name
'Li, Jiancheng'
'Li, Yan'
'Purushothaman, Indu'
'De, Susmita'
'Li, Bin'
'Zhu, Hongping'
'Parameswaran, Pattiyil'
'Ye, Qingsong'
'Liu, Weiping'
_publ_section_title
;
 Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based
 Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4209
_journal_paper_doi               10.1021/om501288t
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C31.5 H34 Cl7.5 N O4 P Si'
_chemical_formula_weight         815.53
_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                104.084(5)
_cell_angle_beta                 101.275(5)
_cell_angle_gamma                99.312(5)
_cell_formula_units_Z            2
_cell_length_a                   9.8723(6)
_cell_length_b                   12.2232(7)
_cell_length_c                   16.7314(9)
_cell_measurement_reflns_used    4222
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.8300
_cell_measurement_theta_min      3.3960
_cell_volume                     1873.4(2)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_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      173(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14342
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.8228
_exptl_absorpt_correction_T_min  0.8228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             837
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.701
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7352
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0724
_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)+(0.0782P)²+4.8436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
_refine_ls_wR_factor_ref         0.1873
_reflns_number_gt                5834
_reflns_number_total             7352
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501288t_si_003.cif
_cod_data_source_block           compound_5b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4085726--4085732.cif.
;
_cod_original_cell_volume        1873.40(19)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C31.50 H34 Cl7.50 N O4 P Si'
_cod_database_code               4085727
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
P1 P -0.08108(10) 0.29181(8) 0.77057(6) 0.0166(2) Uani 1 1 d . . .
Si1 Si 0.21305(11) 0.31861(10) 0.74905(7) 0.0226(3) Uani 1 1 d . . .
Cl1 Cl 0.37333(11) 0.44082(10) 0.84715(7) 0.0389(3) Uani 1 1 d . . .
Cl2 Cl 0.33053(11) 0.18538(10) 0.75515(7) 0.0326(3) Uani 1 1 d . . .
Cl3 Cl 0.22143(12) 0.30001(10) 0.62062(7) 0.0352(3) Uani 1 1 d . . .
N1 N 0.0626(3) 0.2377(3) 0.77140(19) 0.0180(6) Uani 1 1 d . . .
O1 O -0.0647(4) 0.6191(3) 0.7643(2) 0.0436(8) Uani 1 1 d . . .
O2 O -0.2408(3) 0.4708(3) 0.7542(2) 0.0327(7) Uani 1 1 d . . .
O3 O 0.2662(4) 0.6212(3) 0.7555(3) 0.0655(12) Uani 1 1 d . . .
O4 O 0.0898(4) 0.5350(3) 0.6378(2) 0.0462(9) Uani 1 1 d . . .
C1 C -0.0157(4) 0.4337(3) 0.7638(2) 0.0215(8) Uani 1 1 d . . .
C2 C 0.1098(4) 0.4427(3) 0.7439(3) 0.0249(8) Uani 1 1 d . . .
C3 C -0.1074(5) 0.5201(4) 0.7607(3) 0.0274(9) Uani 1 1 d . . .
C4 C 0.1651(5) 0.5440(4) 0.7154(3) 0.0369(11) Uani 1 1 d . . .
C5 C -0.3454(5) 0.5414(5) 0.7473(3) 0.0436(12) Uani 1 1 d . . .
H5A H -0.4380 0.4918 0.7155 0.065 Uiso 1 1 calc R . .
H5B H -0.3175 0.5977 0.7174 0.065 Uiso 1 1 calc R . .
H5C H -0.3510 0.5823 0.8043 0.065 Uiso 1 1 calc R . .
C6 C 0.1291(9) 0.6325(6) 0.6055(5) 0.087(3) Uani 1 1 d . . .
H6A H 0.0668 0.6200 0.5492 0.131 Uiso 1 1 calc R . .
H6B H 0.2275 0.6400 0.6010 0.131 Uiso 1 1 calc R . .
H6C H 0.1196 0.7035 0.6444 0.131 Uiso 1 1 calc R . .
C11 C 0.0584(4) 0.1313(3) 0.7987(2) 0.0197(8) Uani 1 1 d . . .
C12 C 0.1103(4) 0.1409(4) 0.8850(3) 0.0240(8) Uani 1 1 d . . .
C13 C 0.1011(5) 0.0393(4) 0.9098(3) 0.0324(10) Uani 1 1 d . . .
H13A H 0.1345 0.0439 0.9680 0.039 Uiso 1 1 calc R . .
C14 C 0.0445(5) -0.0673(4) 0.8515(3) 0.0351(10) Uani 1 1 d . . .
H14A H 0.0379 -0.1352 0.8699 0.042 Uiso 1 1 calc R . .
C15 C -0.0025(5) -0.0759(4) 0.7669(3) 0.0301(9) Uani 1 1 d . . .
H15A H -0.0405 -0.1502 0.7273 0.036 Uiso 1 1 calc R . .
C16 C 0.0045(4) 0.0223(3) 0.7376(3) 0.0221(8) Uani 1 1 d . . .
C21 C -0.1513(4) 0.2908(3) 0.8610(2) 0.0197(8) Uani 1 1 d . . .
C22 C -0.2185(4) 0.1876(4) 0.8717(3) 0.0284(9) Uani 1 1 d . . .
H22A H -0.2243 0.1159 0.8316 0.034 Uiso 1 1 calc R . .
C23 C -0.2771(5) 0.1901(4) 0.9413(3) 0.0382(11) Uani 1 1 d . . .
H23A H -0.3223 0.1199 0.9490 0.046 Uiso 1 1 calc R . .
C24 C -0.2696(5) 0.2943(4) 0.9992(3) 0.0372(11) Uani 1 1 d . . .
H24A H -0.3103 0.2956 1.0463 0.045 Uiso 1 1 calc R . .
C25 C -0.2036(5) 0.3962(4) 0.9892(3) 0.0346(10) Uani 1 1 d . . .
H25A H -0.2000 0.4674 1.0291 0.041 Uiso 1 1 calc R . .
C26 C -0.1424(4) 0.3963(4) 0.9214(3) 0.0258(9) Uani 1 1 d . . .
H26A H -0.0947 0.4669 0.9157 0.031 Uiso 1 1 calc R . .
C27 C -0.2202(4) 0.2260(3) 0.6756(2) 0.0190(7) Uani 1 1 d . . .
C28 C -0.3613(4) 0.1920(4) 0.6768(3) 0.0253(9) Uani 1 1 d . . .
H28A H -0.3861 0.1960 0.7294 0.030 Uiso 1 1 calc R . .
C29 C -0.4652(4) 0.1522(4) 0.6014(3) 0.0307(9) Uani 1 1 d . . .
H29A H -0.5613 0.1282 0.6022 0.037 Uiso 1 1 calc R . .
C30 C -0.4301(4) 0.1471(4) 0.5246(3) 0.0311(10) Uani 1 1 d . . .
H30A H -0.5017 0.1188 0.4729 0.037 Uiso 1 1 calc R . .
C31 C -0.2892(4) 0.1836(4) 0.5231(3) 0.0283(9) Uani 1 1 d . . .
H31A H -0.2650 0.1809 0.4706 0.034 Uiso 1 1 calc R . .
C32 C -0.1854(4) 0.2235(3) 0.5980(2) 0.0219(8) Uani 1 1 d . . .
H32A H -0.0899 0.2494 0.5970 0.026 Uiso 1 1 calc R . .
C121 C 0.1840(5) 0.2554(4) 0.9518(3) 0.0294(9) Uani 1 1 d . . .
H12A H 0.1727 0.3196 0.9255 0.035 Uiso 1 1 calc R . .
C122 C 0.3435(5) 0.2605(5) 0.9815(3) 0.0418(12) Uani 1 1 d . . .
H12B H 0.3909 0.3376 1.0196 0.063 Uiso 1 1 calc R . .
H12C H 0.3840 0.2450 0.9320 0.063 Uiso 1 1 calc R . .
H12D H 0.3568 0.2023 1.0118 0.063 Uiso 1 1 calc R . .
C123 C 0.1207(5) 0.2750(4) 1.0299(3) 0.0359(11) Uani 1 1 d . . .
H12E H 0.1672 0.3514 1.0693 0.054 Uiso 1 1 calc R . .
H12F H 0.1357 0.2153 1.0585 0.054 Uiso 1 1 calc R . .
H12G H 0.0190 0.2708 1.0117 0.054 Uiso 1 1 calc R . .
C161 C -0.0382(4) 0.0049(3) 0.6424(3) 0.0240(8) Uani 1 1 d . . .
H16A H -0.0285 0.0829 0.6324 0.029 Uiso 1 1 calc R . .
C162 C 0.0601(5) -0.0588(4) 0.5975(3) 0.0363(11) Uani 1 1 d . . .
H16B H 0.1578 -0.0138 0.6200 0.054 Uiso 1 1 calc R . .
H16C H 0.0312 -0.0683 0.5363 0.054 Uiso 1 1 calc R . .
H16D H 0.0541 -0.1350 0.6075 0.054 Uiso 1 1 calc R . .
C163 C -0.1924(5) -0.0608(4) 0.6033(3) 0.0375(11) Uani 1 1 d . . .
H16E H -0.2169 -0.0670 0.5424 0.056 Uiso 1 1 calc R . .
H16F H -0.2549 -0.0189 0.6313 0.056 Uiso 1 1 calc R . .
H16G H -0.2040 -0.1384 0.6111 0.056 Uiso 1 1 calc R . .
C33 C 0.4770(18) -0.1450(18) 0.7980(10) 0.037(7) Uiso 0.521(14) 1 d PD A 2
H33A H 0.4274 -0.2284 0.7785 0.044 Uiso 0.521(14) 1 calc PR A 2
Cl4 Cl 0.6621(3) -0.1395(3) 0.8057(4) 0.0406(10) Uiso 0.521(14) 1 d PD A 2
Cl5 Cl 0.4399(4) -0.0853(3) 0.8919(3) 0.0460(11) Uiso 0.521(14) 1 d PD A 2
Cl6 Cl 0.4116(6) -0.0815(3) 0.7194(3) 0.0628(12) Uiso 0.521(14) 1 d PD A 2
C33A C 0.4811(19) -0.1492(19) 0.7892(11) 0.033(7) Uiso 0.479(14) 1 d PD A 1
H33B H 0.4335 -0.2330 0.7713 0.040 Uiso 0.479(14) 1 calc PR A 1
Cl4A Cl 0.6630(4) -0.1298(3) 0.8276(4) 0.0408(11) Uiso 0.479(14) 1 d PD A 1
Cl5A Cl 0.4133(6) -0.0677(4) 0.8729(4) 0.0602(13) Uiso 0.479(14) 1 d PD A 1
Cl6A Cl 0.4462(5) -0.0877(3) 0.7036(3) 0.0462(12) Uiso 0.479(14) 1 d PD A 1
C34 C -0.4066(16) 0.5132(13) 0.4834(10) 0.086(4) Uiso 0.50 1 d PD . .
Cl7 Cl -0.5086(8) 0.3593(6) 0.4298(5) 0.143(2) Uiso 0.50 1 d PD . .
Cl8 Cl -0.2476(6) 0.5389(5) 0.5533(4) 0.1179(16) Uiso 0.50 1 d PD . .
Cl9 Cl -0.4995(8) 0.4002(6) 0.4906(5) 0.138(2) Uiso 0.50 1 d PD . .
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
N1 P1 C21 113.92(16) . .
N1 P1 C1 100.79(17) . .
C21 P1 C1 113.83(18) . .
N1 P1 C27 113.95(16) . .
C21 P1 C27 109.19(18) . .
C1 P1 C27 104.65(18) . .
N1 Si1 C2 88.81(15) . .
N1 Si1 Cl1 121.40(12) . .
C2 Si1 Cl1 87.93(13) . .
N1 Si1 Cl3 119.24(12) . .
C2 Si1 Cl3 89.20(13) . .
Cl1 Si1 Cl3 119.19(7) . .
N1 Si1 Cl2 92.40(11) . .
C2 Si1 Cl2 178.71(13) . .
Cl1 Si1 Cl2 91.05(6) . .
Cl3 Si1 Cl2 90.61(6) . .
C11 N1 P1 115.5(2) . .
C11 N1 Si1 126.0(2) . .
P1 N1 Si1 118.31(18) . .
C3 O2 C5 117.4(4) . .
C4 O4 C6 114.9(5) . .
C2 C1 C3 124.6(4) . .
C2 C1 P1 111.6(3) . .
C3 C1 P1 122.3(3) . .
C1 C2 C4 119.3(4) . .
C1 C2 Si1 118.9(3) . .
C4 C2 Si1 121.8(3) . .
O1 C3 O2 125.6(4) . .
O1 C3 C1 124.3(4) . .
O2 C3 C1 110.1(3) . .
O3 C4 O4 124.8(4) . .
O3 C4 C2 125.1(5) . .
O4 C4 C2 110.1(4) . .
O2 C5 H5A 109.5 . .
O2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
O2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O4 C6 H6A 109.5 . .
O4 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
O4 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C12 C11 C16 121.4(4) . .
C12 C11 N1 119.0(3) . .
C16 C11 N1 119.6(3) . .
C13 C12 C11 118.0(4) . .
C13 C12 C121 118.5(4) . .
C11 C12 C121 123.4(4) . .
C14 C13 C12 121.3(4) . .
C14 C13 H13A 119.3 . .
C12 C13 H13A 119.3 . .
C15 C14 C13 120.2(4) . .
C15 C14 H14A 119.9 . .
C13 C14 H14A 119.9 . .
C14 C15 C16 121.4(4) . .
C14 C15 H15A 119.3 . .
C16 C15 H15A 119.3 . .
C15 C16 C11 117.5(4) . .
C15 C16 C161 118.1(4) . .
C11 C16 C161 124.2(3) . .
C22 C21 C26 119.4(3) . .
C22 C21 P1 121.1(3) . .
C26 C21 P1 119.4(3) . .
C23 C22 C21 119.8(4) . .
C23 C22 H22A 120.1 . .
C21 C22 H22A 120.1 . .
C24 C23 C22 120.1(4) . .
C24 C23 H23A 119.9 . .
C22 C23 H23A 119.9 . .
C25 C24 C23 120.5(4) . .
C25 C24 H24A 119.8 . .
C23 C24 H24A 119.8 . .
C24 C25 C26 120.7(4) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
C25 C26 C21 119.5(4) . .
C25 C26 H26A 120.2 . .
C21 C26 H26A 120.2 . .
C28 C27 C32 119.6(4) . .
C28 C27 P1 122.8(3) . .
C32 C27 P1 117.1(3) . .
C29 C28 C27 119.9(4) . .
C29 C28 H28A 120.1 . .
C27 C28 H28A 120.1 . .
C30 C29 C28 120.4(4) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C29 C30 C31 119.9(4) . .
C29 C30 H30A 120.0 . .
C31 C30 H30A 120.0 . .
C32 C31 C30 120.0(4) . .
C32 C31 H31A 120.0 . .
C30 C31 H31A 120.0 . .
C31 C32 C27 120.3(4) . .
C31 C32 H32A 119.9 . .
C27 C32 H32A 119.9 . .
C12 C121 C123 112.4(4) . .
C12 C121 C122 110.5(4) . .
C123 C121 C122 108.8(3) . .
C12 C121 H12A 108.4 . .
C123 C121 H12A 108.4 . .
C122 C121 H12A 108.4 . .
C121 C122 H12B 109.5 . .
C121 C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C121 C122 H12D 109.5 . .
H12B C122 H12D 109.5 . .
H12C C122 H12D 109.5 . .
C121 C123 H12E 109.5 . .
C121 C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
C121 C123 H12G 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C16 C161 C163 112.1(3) . .
C16 C161 C162 110.9(3) . .
C163 C161 C162 109.8(4) . .
C16 C161 H16A 108.0 . .
C163 C161 H16A 108.0 . .
C162 C161 H16A 108.0 . .
C161 C162 H16B 109.5 . .
C161 C162 H16C 109.5 . .
H16B C162 H16C 109.5 . .
C161 C162 H16D 109.5 . .
H16B C162 H16D 109.5 . .
H16C C162 H16D 109.5 . .
C161 C163 H16E 109.5 . .
C161 C163 H16F 109.5 . .
H16E C163 H16F 109.5 . .
C161 C163 H16G 109.5 . .
H16E C163 H16G 109.5 . .
H16F C163 H16G 109.5 . .
Cl5 C33 Cl6 111.6(10) . .
Cl5 C33 Cl4 113.8(10) . .
Cl6 C33 Cl4 109.2(9) . .
Cl5 C33 H33A 107.3 . .
Cl6 C33 H33A 107.3 . .
Cl4 C33 H33A 107.3 . .
Cl4A C33A Cl6A 110.0(10) . .
Cl4A C33A Cl5A 107.9(10) . .
Cl6A C33A Cl5A 106.1(9) . .
Cl4A C33A H33B 110.9 . .
Cl6A C33A H33B 110.9 . .
Cl5A C33A H33B 110.9 . .
Cl9 C34 Cl9 99.3(10) 2_466 .
Cl9 C34 Cl8 114.5(10) 2_466 .
Cl9 C34 Cl8 107.0(10) . .
Cl9 C34 Cl7 114.2(10) 2_466 .
Cl9 C34 Cl7 31.8(4) . .
Cl8 C34 Cl7 119.6(9) . .
Cl9 C34 C34 50.0(8) 2_466 2_466
Cl9 C34 C34 49.3(7) . 2_466
Cl8 C34 C34 123.0(13) . 2_466
Cl7 C34 C34 69.8(8) . 2_466
Cl9 C34 Cl7 22.3(4) 2_466 2_466
Cl9 C34 Cl7 97.2(9) . 2_466
Cl8 C34 Cl7 94.4(7) . 2_466
Cl7 C34 Cl7 122.0(8) . 2_466
C34 C34 Cl7 52.2(8) 2_466 2_466
Cl9 Cl7 C34 56.4(7) . .
Cl9 Cl7 C34 36.3(7) . 2_466
C34 Cl7 C34 58.0(8) . 2_466
Cl7 Cl9 C34 121.5(10) . 2_466
Cl7 Cl9 C34 91.8(9) . .
C34 Cl9 C34 80.7(10) 2_466 .
Cl7 Cl9 Cl9 111.2(8) . 2_466
C34 Cl9 Cl9 40.6(6) 2_466 2_466
C34 Cl9 Cl9 40.1(7) . 2_466
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.658(3) .
P1 C21 1.785(4) .
P1 C1 1.789(4) .
P1 C27 1.796(4) .
Si1 N1 1.801(3) .
Si1 C2 1.969(4) .
Si1 Cl1 2.1108(15) .
Si1 Cl3 2.1246(15) .
Si1 Cl2 2.1572(15) .
N1 C11 1.477(5) .
O1 C3 1.198(5) .
O2 C3 1.329(5) .
O2 C5 1.454(5) .
O3 C4 1.209(6) .
O4 C4 1.332(6) .
O4 C6 1.453(6) .
C1 C2 1.339(6) .
C1 C3 1.501(6) .
C2 C4 1.493(6) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C11 C12 1.404(5) .
C11 C16 1.413(5) .
C12 C13 1.397(6) .
C12 C121 1.527(6) .
C13 C14 1.376(7) .
C13 H13A 0.9500 .
C14 C15 1.374(7) .
C14 H14A 0.9500 .
C15 C16 1.400(6) .
C15 H15A 0.9500 .
C16 C161 1.517(5) .
C21 C22 1.396(6) .
C21 C26 1.409(5) .
C22 C23 1.395(6) .
C22 H22A 0.9500 .
C23 C24 1.381(7) .
C23 H23A 0.9500 .
C24 C25 1.373(7) .
C24 H24A 0.9500 .
C25 C26 1.386(6) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
C27 C28 1.394(5) .
C27 C32 1.400(5) .
C28 C29 1.385(6) .
C28 H28A 0.9500 .
C29 C30 1.385(6) .
C29 H29A 0.9500 .
C30 C31 1.397(6) .
C30 H30A 0.9500 .
C31 C32 1.377(6) .
C31 H31A 0.9500 .
C32 H32A 0.9500 .
C121 C123 1.539(6) .
C121 C122 1.542(6) .
C121 H12A 1.0000 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C122 H12D 0.9800 .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C161 C163 1.533(6) .
C161 C162 1.536(6) .
C161 H16A 1.0000 .
C162 H16B 0.9800 .
C162 H16C 0.9800 .
C162 H16D 0.9800 .
C163 H16E 0.9800 .
C163 H16F 0.9800 .
C163 H16G 0.9800 .
C33 Cl5 1.701(16) .
C33 Cl6 1.754(16) .
C33 Cl4 1.795(16) .
C33 H33A 1.0000 .
C33A Cl4A 1.741(17) .
C33A Cl6A 1.774(17) .
C33A Cl5A 1.819(18) .
C33A H33B 1.0000 .
C34 Cl9 1.556(17) 2_466
C34 Cl9 1.574(14) .
C34 Cl8 1.695(15) .
C34 Cl7 1.889(15) .
C34 C34 2.03(3) 2_466
C34 Cl7 2.243(18) 2_466
Cl7 Cl9 0.996(8) .
Cl7 C34 2.243(18) 2_466
Cl9 C34 1.556(17) 2_466
Cl9 Cl9 2.385(15) 2_466
