#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:46:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179154 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/15/4311567.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_4311567
loop_
_publ_author_name
'Moshe Nakash'
'Michael Goldvaser'
'Israel Goldberg'
_publ_section_title
;
 Formation of Hexacoordinate Complexes of PhCCSiF3 with 2,2'-Bipyridine
 and with 1,10-Phenanthroline through Intermolecular Silicon...Nitrogen
 Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5792
_journal_page_last               5794
_journal_paper_doi               10.1021/ic049125l
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         '(C20 H13 F3 N2 Si), (C H2 Cl2)'
_chemical_formula_sum            'C21 H15 Cl2 F3 N2 Si'
_chemical_formula_weight         451.34
_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                97.3900(17)
_cell_angle_beta                 90.3960(14)
_cell_angle_gamma                91.5890(18)
_cell_formula_units_Z            4
_cell_length_a                   8.8300(3)
_cell_length_b                   11.3530(4)
_cell_length_c                   19.7990(8)
_cell_measurement_reflns_used    6047
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      1.81
_cell_volume                     1967.44(13)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean '56 microns'
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi & Omega 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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16403
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.429
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         8595
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0630
_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)+(0.0390P)²+3.2135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1417
_reflns_number_gt                6047
_reflns_number_total             8605
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049125lsi20040705_083426_2.cif
_cod_data_source_block           1-phen-A+1-phen-B
_cod_original_cell_volume        1967.44(12)
_cod_database_code               4311567
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 1.07665(10) 0.29782(8) 0.09450(5) 0.0224(2) Uani 1 1 d . . .
F1 F 1.1278(2) 0.43983(16) 0.11639(10) 0.0283(4) Uani 1 1 d . . .
F2 F 1.2295(2) 0.24797(18) 0.12796(10) 0.0299(4) Uani 1 1 d . . .
F3 F 0.9947(2) 0.16205(15) 0.08129(9) 0.0245(4) Uani 1 1 d . . .
N1 N 0.9785(3) 0.3096(2) 0.18602(14) 0.0215(6) Uani 1 1 d . . .
N2 N 0.8699(3) 0.3533(2) 0.07089(14) 0.0235(6) Uani 1 1 d . . .
C1 C 1.1446(4) 0.2937(3) 0.00454(18) 0.0268(7) Uani 1 1 d . . .
C2 C 1.1858(4) 0.2932(3) -0.05321(18) 0.0259(7) Uani 1 1 d . . .
C3 C 1.2328(4) 0.2904(3) -0.12341(17) 0.0250(7) Uani 1 1 d . . .
C4 C 1.1429(4) 0.3367(3) -0.17109(18) 0.0272(7) Uani 1 1 d . . .
H4 H 1.0500 0.3724 -0.1575 0.033 Uiso 1 1 calc R . .
C5 C 1.1876(4) 0.3311(3) -0.23788(18) 0.0292(8) Uani 1 1 d . . .
H5 H 1.1244 0.3613 -0.2703 0.035 Uiso 1 1 calc R . .
C6 C 1.3253(4) 0.2814(3) -0.25818(19) 0.0318(8) Uani 1 1 d . . .
H6 H 1.3561 0.2780 -0.3043 0.038 Uiso 1 1 calc R . .
C7 C 1.4161(4) 0.2373(3) -0.21127(18) 0.0302(8) Uani 1 1 d . . .
H7 H 1.5100 0.2036 -0.2251 0.036 Uiso 1 1 calc R . .
C8 C 1.3719(4) 0.2416(3) -0.14396(18) 0.0282(7) Uani 1 1 d . . .
H8 H 1.4357 0.2115 -0.1118 0.034 Uiso 1 1 calc R . .
C9 C 1.0401(4) 0.2834(3) 0.24379(17) 0.0249(7) Uani 1 1 d . . .
H9 H 1.1404 0.2553 0.2432 0.030 Uiso 1 1 calc R . .
C10 C 0.9614(4) 0.2961(3) 0.30512(18) 0.0281(7) Uani 1 1 d . . .
H10 H 1.0085 0.2767 0.3454 0.034 Uiso 1 1 calc R . .
C11 C 0.8163(4) 0.3365(3) 0.30736(18) 0.0280(8) Uani 1 1 d . . .
H11 H 0.7630 0.3471 0.3491 0.034 Uiso 1 1 calc R . .
C12 C 0.7481(4) 0.3618(3) 0.24694(18) 0.0261(7) Uani 1 1 d . . .
C13 C 0.8343(3) 0.3469(3) 0.18781(17) 0.0224(7) Uani 1 1 d . . .
C14 C 0.7725(3) 0.3670(3) 0.12393(18) 0.0236(7) Uani 1 1 d . . .
C15 C 0.6197(4) 0.3945(3) 0.11825(19) 0.0271(8) Uani 1 1 d . . .
C16 C 0.5655(4) 0.4000(3) 0.0519(2) 0.0330(9) Uani 1 1 d . . .
H16 H 0.4610 0.4119 0.0442 0.040 Uiso 1 1 calc R . .
C17 C 0.6632(4) 0.3881(3) -0.0015(2) 0.0347(9) Uani 1 1 d . . .
H17 H 0.6271 0.3938 -0.0462 0.042 Uiso 1 1 calc R . .
C18 C 0.8160(4) 0.3677(3) 0.00948(18) 0.0285(8) Uani 1 1 d . . .
H18 H 0.8835 0.3639 -0.0278 0.034 Uiso 1 1 calc R . .
C19 C 0.5934(4) 0.3992(3) 0.2407(2) 0.0306(8) Uani 1 1 d . . .
H19 H 0.5336 0.4147 0.2803 0.037 Uiso 1 1 calc R . .
C20 C 0.5334(4) 0.4123(3) 0.1794(2) 0.0322(8) Uani 1 1 d . . .
H20 H 0.4306 0.4340 0.1768 0.039 Uiso 1 1 calc R . .
Si1' Si 0.43540(10) 1.13373(8) 0.37425(5) 0.0206(2) Uani 1 1 d . . .
F1' F 0.5249(2) 1.26454(16) 0.37915(10) 0.0264(4) Uani 1 1 d . . .
F2' F 0.2789(2) 1.18500(16) 0.34483(10) 0.0263(4) Uani 1 1 d . . .
F3' F 0.3949(2) 1.15424(16) 0.45585(9) 0.0254(4) Uani 1 1 d . . .
N1' N 0.5193(3) 1.1053(2) 0.27990(13) 0.0195(5) Uani 1 1 d . . .
N2' N 0.6365(3) 1.0667(2) 0.39484(13) 0.0206(6) Uani 1 1 d . . .
C1' C 0.3651(3) 0.9737(3) 0.36288(16) 0.0214(7) Uani 1 1 d . . .
C2' C 0.3389(3) 0.8683(3) 0.35967(17) 0.0233(7) Uani 1 1 d . . .
C3' C 0.3153(3) 0.7415(3) 0.35599(17) 0.0231(7) Uani 1 1 d . . .
C4' C 0.3862(4) 0.6778(3) 0.40285(17) 0.0257(7) Uani 1 1 d . . .
H4' H 0.4469 0.7188 0.4387 0.031 Uiso 1 1 calc R . .
C5' C 0.3681(4) 0.5556(3) 0.39710(19) 0.0302(8) Uani 1 1 d . . .
H5' H 0.4165 0.5133 0.4292 0.036 Uiso 1 1 calc R . .
C6' C 0.2807(4) 0.4942(3) 0.34534(19) 0.0305(8) Uani 1 1 d . . .
H6' H 0.2692 0.4101 0.3417 0.037 Uiso 1 1 calc R . .
C7' C 0.2094(4) 0.5563(3) 0.2985(2) 0.0332(8) Uani 1 1 d . . .
H7' H 0.1488 0.5146 0.2629 0.040 Uiso 1 1 calc R . .
C8' C 0.2265(4) 0.6785(3) 0.30359(19) 0.0301(8) Uani 1 1 d . . .
H8' H 0.1777 0.7203 0.2714 0.036 Uiso 1 1 calc R . .
C9' C 0.4540(4) 1.1254(3) 0.22222(17) 0.0238(7) Uani 1 1 d . . .
H9' H 0.3530 1.1522 0.2234 0.029 Uiso 1 1 calc R . .
C10' C 0.5282(4) 1.1086(3) 0.15969(17) 0.0261(7) Uani 1 1 d . . .
H10' H 0.4780 1.1246 0.1194 0.031 Uiso 1 1 calc R . .
C11' C 0.6739(4) 1.0689(3) 0.15662(17) 0.0251(7) Uani 1 1 d . . .
H11' H 0.7259 1.0585 0.1145 0.030 Uiso 1 1 calc R . .
C12' C 0.7448(4) 1.0439(3) 0.21658(16) 0.0220(7) Uani 1 1 d . . .
C13' C 0.6634(3) 1.0648(3) 0.27700(16) 0.0199(6) Uani 1 1 d . . .
C14' C 0.7259(3) 1.0405(3) 0.33936(16) 0.0206(7) Uani 1 1 d . . .
C15' C 0.8684(4) 0.9890(3) 0.34169(17) 0.0238(7) Uani 1 1 d . . .
C16' C 0.9135(4) 0.9560(3) 0.40423(18) 0.0282(8) Uani 1 1 d . . .
H16' H 1.0068 0.9177 0.4083 0.034 Uiso 1 1 calc R . .
C17' C 0.8218(4) 0.9794(3) 0.45983(18) 0.0287(8) Uani 1 1 d . . .
H17' H 0.8509 0.9562 0.5024 0.034 Uiso 1 1 calc R . .
C18' C 0.6847(4) 1.0378(3) 0.45374(17) 0.0245(7) Uani 1 1 d . . .
H18' H 0.6250 1.0570 0.4932 0.029 Uiso 1 1 calc R . .
C19' C 0.8938(4) 0.9972(3) 0.22032(18) 0.0263(7) Uani 1 1 d . . .
H19' H 0.9528 0.9851 0.1802 0.032 Uiso 1 1 calc R . .
C20' C 0.9519(4) 0.9702(3) 0.27939(18) 0.0266(7) Uani 1 1 d . . .
H20' H 1.0500 0.9381 0.2798 0.032 Uiso 1 1 calc R . .
C21 C 0.1804(4) 0.9260(3) 0.07035(19) 0.0332(8) Uani 1 1 d . . .
H21A H 0.1512 1.0083 0.0864 0.040 Uiso 1 1 calc R . .
H21B H 0.0957 0.8860 0.0425 0.040 Uiso 1 1 calc R . .
Cl1 Cl 0.34501(11) 0.92856(9) 0.02007(5) 0.0384(2) Uani 1 1 d . . .
Cl2 Cl 0.21374(11) 0.84952(9) 0.14122(5) 0.0382(2) Uani 1 1 d . . .
C22 C 0.1349(4) 0.3557(4) 0.4941(2) 0.0395(9) Uani 1 1 d . . .
H22A H 0.2019 0.2949 0.4709 0.047 Uiso 1 1 calc R . .
H22B H 0.1377 0.4249 0.4684 0.047 Uiso 1 1 calc R . .
Cl3 Cl -0.05162(12) 0.29675(11) 0.49400(6) 0.0532(3) Uani 1 1 d . . .
Cl4 Cl 0.20216(17) 0.39963(13) 0.57683(7) 0.0741(4) Uani 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'
Cl Cl 0.1484 0.1585 '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'
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'
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
F2 Si1 F1 93.79(11) . . ?
F2 Si1 F3 92.35(10) . . ?
F1 Si1 F3 168.76(11) . . ?
F2 Si1 C1 98.27(13) . . ?
F1 Si1 C1 94.15(13) . . ?
F3 Si1 C1 94.29(13) . . ?
F2 Si1 N1 89.23(11) . . ?
F1 Si1 N1 85.51(10) . . ?
F3 Si1 N1 85.16(10) . . ?
C1 Si1 N1 172.50(14) . . ?
F2 Si1 N2 168.68(11) . . ?
F1 Si1 N2 87.78(10) . . ?
F3 Si1 N2 84.40(10) . . ?
C1 Si1 N2 92.79(13) . . ?
N1 Si1 N2 79.71(11) . . ?
C9 N1 C13 117.9(3) . . ?
C9 N1 Si1 126.8(2) . . ?
C13 N1 Si1 115.3(2) . . ?
C18 N2 C14 117.6(3) . . ?
C18 N2 Si1 127.7(2) . . ?
C14 N2 Si1 114.4(2) . . ?
C2 C1 Si1 178.5(3) . . ?
C1 C2 C3 178.7(4) . . ?
C4 C3 C8 119.0(3) . . ?
C4 C3 C2 121.2(3) . . ?
C8 C3 C2 119.8(3) . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.3(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C6 C7 C8 120.5(3) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C7 C8 C3 120.0(3) . . ?
C7 C8 H8 120.0 . . ?
C3 C8 H8 120.0 . . ?
N1 C9 C10 122.0(3) . . ?
N1 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 118.8(3) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C13 C12 C11 117.5(3) . . ?
C13 C12 C19 117.4(3) . . ?
C11 C12 C19 125.1(3) . . ?
N1 C13 C12 123.6(3) . . ?
N1 C13 C14 115.2(3) . . ?
C12 C13 C14 121.2(3) . . ?
N2 C14 C15 124.4(3) . . ?
N2 C14 C13 115.3(3) . . ?
C15 C14 C13 120.3(3) . . ?
C14 C15 C16 115.9(3) . . ?
C14 C15 C20 117.8(3) . . ?
C16 C15 C20 126.3(3) . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.2(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
N2 C18 C17 121.8(3) . . ?
N2 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C20 C19 C12 121.0(3) . . ?
C20 C19 H19 119.5 . . ?
C12 C19 H19 119.5 . . ?
C19 C20 C15 122.0(3) . . ?
C19 C20 H20 119.0 . . ?
C15 C20 H20 119.0 . . ?
F3' Si1' F2' 98.20(10) . . ?
F3' Si1' F1' 91.90(10) . . ?
F2' Si1' F1' 92.77(10) . . ?
F3' Si1' C1' 93.47(12) . . ?
F2' Si1' C1' 94.65(12) . . ?
F1' Si1' C1' 170.13(13) . . ?
F3' Si1' N1' 170.69(11) . . ?
F2' Si1' N1' 90.81(11) . . ?
F1' Si1' N1' 85.30(10) . . ?
C1' Si1' N1' 88.09(12) . . ?
F3' Si1' N2' 90.79(10) . . ?
F2' Si1' N2' 171.02(11) . . ?
F1' Si1' N2' 86.84(10) . . ?
C1' Si1' N2' 84.82(12) . . ?
N1' Si1' N2' 80.21(11) . . ?
C9' N1' C13' 117.9(3) . . ?
C9' N1' Si1' 127.8(2) . . ?
C13' N1' Si1' 114.2(2) . . ?
C18' N2' C14' 117.8(3) . . ?
C18' N2' Si1' 127.6(2) . . ?
C14' N2' Si1' 114.4(2) . . ?
C2' C1' Si1' 171.0(3) . . ?
C1' C2' C3' 177.2(3) . . ?
C8' C3' C4' 118.6(3) . . ?
C8' C3' C2' 120.7(3) . . ?
C4' C3' C2' 120.7(3) . . ?
C5' C4' C3' 120.2(3) . . ?
C5' C4' H4' 119.9 . . ?
C3' C4' H4' 119.9 . . ?
C4' C5' C6' 120.9(3) . . ?
C4' C5' H5' 119.6 . . ?
C6' C5' H5' 119.6 . . ?
C5' C6' C7' 119.5(3) . . ?
C5' C6' H6' 120.2 . . ?
C7' C6' H6' 120.2 . . ?
C8' C7' C6' 120.2(3) . . ?
C8' C7' H7' 119.9 . . ?
C6' C7' H7' 119.9 . . ?
C7' C8' C3' 120.5(3) . . ?
C7' C8' H8' 119.7 . . ?
C3' C8' H8' 119.7 . . ?
N1' C9' C10' 122.5(3) . . ?
N1' C9' H9' 118.8 . . ?
C10' C9' H9' 118.8 . . ?
C11' C10' C9' 119.9(3) . . ?
C11' C10' H10' 120.1 . . ?
C9' C10' H10' 120.1 . . ?
C10' C11' C12' 119.0(3) . . ?
C10' C11' H11' 120.5 . . ?
C12' C11' H11' 120.5 . . ?
C13' C12' C11' 117.4(3) . . ?
C13' C12' C19' 117.7(3) . . ?
C11' C12' C19' 124.9(3) . . ?
N1' C13' C12' 123.4(3) . . ?
N1' C13' C14' 115.7(3) . . ?
C12' C13' C14' 120.9(3) . . ?
N2' C14' C15' 123.9(3) . . ?
N2' C14' C13' 115.3(3) . . ?
C15' C14' C13' 120.8(3) . . ?
C16' C15' C14' 116.7(3) . . ?
C16' C15' C20' 125.7(3) . . ?
C14' C15' C20' 117.6(3) . . ?
C17' C16' C15' 119.5(3) . . ?
C17' C16' H16' 120.3 . . ?
C15' C16' H16' 120.3 . . ?
C16' C17' C18' 120.0(3) . . ?
C16' C17' H17' 120.0 . . ?
C18' C17' H17' 120.0 . . ?
N2' C18' C17' 122.0(3) . . ?
N2' C18' H18' 119.0 . . ?
C17' C18' H18' 119.0 . . ?
C20' C19' C12' 121.6(3) . . ?
C20' C19' H19' 119.2 . . ?
C12' C19' H19' 119.2 . . ?
C19' C20' C15' 121.4(3) . . ?
C19' C20' H20' 119.3 . . ?
C15' C20' H20' 119.3 . . ?
Cl2 C21 Cl1 110.35(19) . . ?
Cl2 C21 H21A 109.6 . . ?
Cl1 C21 H21A 109.6 . . ?
Cl2 C21 H21B 109.6 . . ?
Cl1 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
Cl4 C22 Cl3 111.4(2) . . ?
Cl4 C22 H22A 109.3 . . ?
Cl3 C22 H22A 109.3 . . ?
Cl4 C22 H22B 109.3 . . ?
Cl3 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
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 F2 1.645(2) . ?
Si1 F1 1.664(2) . ?
Si1 F3 1.6731(19) . ?
Si1 C1 1.879(4) . ?
Si1 N1 2.005(3) . ?
Si1 N2 2.019(3) . ?
N1 C9 1.334(4) . ?
N1 C13 1.352(4) . ?
N2 C18 1.334(4) . ?
N2 C14 1.358(4) . ?
C1 C2 1.202(5) . ?
C2 C3 1.450(5) . ?
C3 C4 1.392(5) . ?
C3 C8 1.403(5) . ?
C4 C5 1.377(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.374(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(5) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.396(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.372(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.402(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(5) . ?
C12 C19 1.450(5) . ?
C13 C14 1.422(5) . ?
C14 C15 1.401(4) . ?
C15 C16 1.405(5) . ?
C15 C20 1.430(5) . ?
C16 C17 1.364(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.396(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.348(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
Si1' F3' 1.646(2) . ?
Si1' F2' 1.646(2) . ?
Si1' F1' 1.6540(19) . ?
Si1' C1' 1.889(3) . ?
Si1' N1' 2.005(3) . ?
Si1' N2' 2.011(3) . ?
N1' C9' 1.324(4) . ?
N1' C13' 1.364(4) . ?
N2' C18' 1.322(4) . ?
N2' C14' 1.364(4) . ?
C1' C2' 1.205(4) . ?
C2' C3' 1.442(4) . ?
C3' C8' 1.403(5) . ?
C3' C4' 1.402(5) . ?
C4' C5' 1.382(5) . ?
C4' H4' 0.9500 . ?
C5' C6' 1.381(5) . ?
C5' H5' 0.9500 . ?
C6' C7' 1.393(5) . ?
C6' H6' 0.9500 . ?
C7' C8' 1.382(5) . ?
C7' H7' 0.9500 . ?
C8' H8' 0.9500 . ?
C9' C10' 1.398(5) . ?
C9' H9' 0.9500 . ?
C10' C11' 1.374(5) . ?
C10' H10' 0.9500 . ?
C11' C12' 1.403(5) . ?
C11' H11' 0.9500 . ?
C12' C13' 1.397(4) . ?
C12' C19' 1.437(5) . ?
C13' C14' 1.412(5) . ?
C14' C15' 1.404(4) . ?
C15' C16' 1.398(5) . ?
C15' C20' 1.437(5) . ?
C16' C17' 1.374(5) . ?
C16' H16' 0.9500 . ?
C17' C18' 1.408(5) . ?
C17' H17' 0.9500 . ?
C18' H18' 0.9500 . ?
C19' C20' 1.348(5) . ?
C19' H19' 0.9500 . ?
C20' H20' 0.9500 . ?
C21 Cl2 1.769(4) . ?
C21 Cl1 1.769(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 Cl4 1.745(4) . ?
C22 Cl3 1.761(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
