#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:54:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179735 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/31/7003170.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_7003170
loop_
_publ_author_name
'Prince, Paul D.'
'Bearpark, Michael J.'
'McGrady, G. Sean'
'Steed, Jonathan W.'
_publ_section_title
;
 Hypervalent hydridosilicates: synthesis, structure and hydride
 bridging
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              271
_journal_page_last               282
_journal_paper_doi               10.1039/b713427d
_journal_year                    2008
_chemical_formula_sum            'C30 H41 K O6 Si'
_chemical_formula_weight         564.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.540(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3861(5)
_cell_length_b                   20.2252(10)
_cell_length_c                   16.5969(10)
_cell_measurement_temperature    125(2)
_cell_volume                     3063.1(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'XSeed (Barbour, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      125(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '1.6 phi + omega scans 6s/o'
_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  0.0810
_diffrn_reflns_av_sigmaI/netI    0.0999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16817
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.251
_exptl_absorpt_correction_T_max  0.8846
_exptl_absorpt_correction_T_min  0.7871
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.8
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       0.0013(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         6802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0527
_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)+(0.0451P)²+0.9529P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1232
_reflns_number_gt                4249
_reflns_number_total             6802
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b713427d.txt
_cod_data_source_block           ppsilyl1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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_sg_symbol_H-M      P21/n
_cod_database_code               7003170
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.83492(7) 0.13943(3) 0.17855(4) 0.02705(17) Uani 1 1 d . . .
C1 C 0.6534(2) 0.16788(11) 0.20232(13) 0.0288(5) Uani 1 1 d . . .
C2 C 0.5281(3) 0.12871(14) 0.18700(16) 0.0448(7) Uani 1 1 d . . .
H2 H 0.5305 0.0868 0.1616 0.054 Uiso 1 1 calc R . .
C3 C 0.3999(3) 0.14878(17) 0.20753(18) 0.0593(9) Uani 1 1 d . . .
H3 H 0.3172 0.1203 0.1977 0.071 Uiso 1 1 calc R . .
C4 C 0.3928(3) 0.21007(16) 0.24221(16) 0.0521(8) Uani 1 1 d . . .
H4 H 0.3049 0.2243 0.2558 0.063 Uiso 1 1 calc R . .
C5 C 0.5140(3) 0.25075(13) 0.25719(16) 0.0459(7) Uani 1 1 d . . .
H5 H 0.5097 0.2933 0.2807 0.055 Uiso 1 1 calc R . .
C6 C 0.6424(3) 0.22925(11) 0.23781(15) 0.0371(6) Uani 1 1 d . . .
H6 H 0.7256 0.2575 0.2492 0.045 Uiso 1 1 calc R . .
C7 C 0.8894(2) 0.18809(10) 0.09109(14) 0.0268(5) Uani 1 1 d . . .
C8 C 1.0069(2) 0.23214(11) 0.10558(16) 0.0336(6) Uani 1 1 d . . .
H8 H 1.0677 0.2356 0.1599 0.040 Uiso 1 1 calc R . .
C9 C 1.0376(3) 0.27098(12) 0.04313(18) 0.0417(6) Uani 1 1 d . . .
H9 H 1.1200 0.2997 0.0544 0.050 Uiso 1 1 calc R . .
C10 C 0.9484(3) 0.26783(13) -0.03551(18) 0.0478(7) Uani 1 1 d . . .
H10 H 0.9679 0.2951 -0.0783 0.057 Uiso 1 1 calc R . .
C11 C 0.8309(3) 0.22521(13) -0.05196(17) 0.0451(7) Uani 1 1 d . . .
H11 H 0.7684 0.2234 -0.1060 0.054 Uiso 1 1 calc R . .
C12 C 0.8039(3) 0.18493(11) 0.01030(14) 0.0331(5) Uani 1 1 d . . .
H12 H 0.7249 0.1544 -0.0024 0.040 Uiso 1 1 calc R . .
C13 C 0.9514(2) 0.06863(11) 0.23955(14) 0.0291(5) Uani 1 1 d . . .
C14 C 0.9127(3) 0.00236(11) 0.22502(16) 0.0369(6) Uani 1 1 d . . .
H14 H 0.8277 -0.0083 0.1834 0.044 Uiso 1 1 calc R . .
C15 C 0.9939(4) -0.04837(14) 0.26926(19) 0.0521(8) Uani 1 1 d . . .
H15 H 0.9626 -0.0928 0.2586 0.062 Uiso 1 1 calc R . .
C16 C 1.1190(4) -0.03509(16) 0.32829(19) 0.0581(9) Uani 1 1 d . . .
H16 H 1.1749 -0.0701 0.3583 0.070 Uiso 1 1 calc R . .
C17 C 1.1630(3) 0.02967(16) 0.34386(17) 0.0539(8) Uani 1 1 d . . .
H17 H 1.2508 0.0394 0.3839 0.065 Uiso 1 1 calc R . .
C18 C 1.0782(3) 0.08114(13) 0.30064(15) 0.0378(6) Uani 1 1 d . . .
H18 H 1.1079 0.1256 0.3133 0.045 Uiso 1 1 calc R . .
K1A K 1.0000 0.0000 0.5000 0.03169(19) Uani 1 2 d S . .
O1A O 0.79958(17) 0.10626(7) 0.46317(10) 0.0345(4) Uani 1 1 d . . .
C1A C 0.6872(3) 0.09080(12) 0.39181(15) 0.0356(6) Uani 1 1 d . . .
H1A1 H 0.7296 0.0868 0.3427 0.043 Uiso 1 1 calc R . .
H1A2 H 0.6131 0.1265 0.3812 0.043 Uiso 1 1 calc R . .
O2A O 1.10051(17) 0.12968(7) 0.52583(10) 0.0363(4) Uani 1 1 d . . .
C2A C 0.8666(3) 0.16772(11) 0.45236(17) 0.0389(6) Uani 1 1 d . . .
H2A1 H 0.7945 0.2040 0.4481 0.047 Uiso 1 1 calc R . .
H2A2 H 0.9022 0.1668 0.4008 0.047 Uiso 1 1 calc R . .
O3A O 1.28190(17) 0.02527(8) 0.59221(10) 0.0361(4) Uani 1 1 d . . .
C3A C 0.9927(3) 0.17886(11) 0.52580(17) 0.0392(6) Uani 1 1 d . . .
H3A1 H 1.0351 0.2233 0.5225 0.047 Uiso 1 1 calc R . .
H3A2 H 0.9582 0.1762 0.5777 0.047 Uiso 1 1 calc R . .
C4A C 1.2276(3) 0.13971(12) 0.59077(16) 0.0369(6) Uani 1 1 d . . .
H4A1 H 1.2026 0.1352 0.6453 0.044 Uiso 1 1 calc R . .
H4A2 H 1.2672 0.1847 0.5869 0.044 Uiso 1 1 calc R . .
C5A C 1.3391(3) 0.08887(11) 0.58227(17) 0.0376(6) Uani 1 1 d . . .
H5A1 H 1.3614 0.0924 0.5270 0.045 Uiso 1 1 calc R . .
H5A2 H 1.4309 0.0961 0.6249 0.045 Uiso 1 1 calc R . .
C6A C 1.3836(2) -0.02660(12) 0.59362(16) 0.0371(6) Uani 1 1 d . . .
H6A1 H 1.4723 -0.0189 0.6384 0.044 Uiso 1 1 calc R . .
H6A2 H 1.4132 -0.0283 0.5402 0.044 Uiso 1 1 calc R . .
K1B K 0.5000 0.0000 0.0000 0.0412(2) Uani 1 2 d S . .
O1B O 0.30284(17) 0.09833(7) -0.06732(10) 0.0360(4) Uani 1 1 d . . .
C1B C 0.3635(3) 0.15075(13) -0.10494(19) 0.0504(7) Uani 1 1 d . . .
H1B1 H 0.4338 0.1760 -0.0622 0.060 Uiso 1 1 calc R . .
H1B2 H 0.2848 0.1812 -0.1329 0.060 Uiso 1 1 calc R . .
O2B O 0.27445(16) 0.02889(8) 0.07584(10) 0.0352(4) Uani 1 1 d . . .
C2B C 0.2143(3) 0.12122(13) -0.01389(19) 0.0492(7) Uani 1 1 d . . .
H2B1 H 0.1320 0.1481 -0.0458 0.059 Uiso 1 1 calc R . .
H2B2 H 0.2735 0.1493 0.0304 0.059 Uiso 1 1 calc R . .
O3B O 0.44095(17) -0.08404(8) 0.12266(10) 0.0376(4) Uani 1 1 d . . .
C3B C 0.1567(3) 0.06325(14) 0.02326(17) 0.0447(7) Uani 1 1 d . . .
H3B1 H 0.0864 0.0782 0.0556 0.054 Uiso 1 1 calc R . .
H3B2 H 0.1044 0.0334 -0.0212 0.054 Uiso 1 1 calc R . .
C4B C 0.2247(3) -0.02393(14) 0.11897(18) 0.0465(7) Uani 1 1 d . . .
H4B1 H 0.1693 -0.0563 0.0789 0.056 Uiso 1 1 calc R . .
H4B2 H 0.1588 -0.0066 0.1527 0.056 Uiso 1 1 calc R . .
C5B C 0.3546(3) -0.05663(15) 0.17372(17) 0.0483(7) Uani 1 1 d . . .
H5B1 H 0.4125 -0.0239 0.2123 0.058 Uiso 1 1 calc R . .
H5B2 H 0.3222 -0.0919 0.2068 0.058 Uiso 1 1 calc R . .
C6B C 0.5599(3) -0.12289(14) 0.16660(18) 0.0482(7) Uani 1 1 d . . .
H6B1 H 0.5235 -0.1591 0.1966 0.058 Uiso 1 1 calc R . .
H6B2 H 0.6282 -0.0953 0.2075 0.058 Uiso 1 1 calc R . .
H1S H 0.922(2) 0.1903(10) 0.2403(14) 0.036(6) Uiso 1 1 d . . .
H2S H 0.752(2) 0.0885(10) 0.1144(14) 0.035(6) 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'
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'
K K 0.2009 0.2494 '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
C7 Si1 C1 114.03(9) . . ?
C7 Si1 C13 123.81(9) . . ?
C1 Si1 C13 122.16(10) . . ?
C6 C1 C2 116.3(2) . . ?
C6 C1 Si1 120.75(18) . . ?
C2 C1 Si1 122.91(17) . . ?
C3 C2 C1 122.3(2) . . ?
C4 C3 C2 119.8(3) . . ?
C3 C4 C5 119.7(3) . . ?
C4 C5 C6 119.7(2) . . ?
C5 C6 C1 122.2(2) . . ?
C12 C7 C8 116.7(2) . . ?
C12 C7 Si1 120.57(17) . . ?
C8 C7 Si1 122.50(18) . . ?
C9 C8 C7 121.9(2) . . ?
C10 C9 C8 119.8(2) . . ?
C11 C10 C9 119.9(2) . . ?
C10 C11 C12 119.9(3) . . ?
C11 C12 C7 121.7(2) . . ?
C18 C13 C14 116.4(2) . . ?
C18 C13 Si1 121.82(18) . . ?
C14 C13 Si1 121.83(18) . . ?
C15 C14 C13 122.2(3) . . ?
C16 C15 C14 120.6(3) . . ?
C15 C16 C17 119.3(3) . . ?
C15 C16 K1A 104.38(18) . . ?
C17 C16 K1A 77.63(17) . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 K1A 78.71(17) . . ?
C18 C17 K1A 102.78(16) . . ?
C13 C18 C17 121.5(3) . . ?
O3A K1A O3A 180.00(7) 3_756 . ?
O3A K1A O2A 59.82(4) 3_756 3_756 ?
O3A K1A O2A 120.18(4) . 3_756 ?
O3A K1A O2A 120.18(4) 3_756 . ?
O3A K1A O2A 59.82(4) . . ?
O2A K1A O2A 180.00(2) 3_756 . ?
O3A K1A O1A 61.36(4) 3_756 . ?
O3A K1A O1A 118.64(4) . . ?
O2A K1A O1A 119.88(4) 3_756 . ?
O2A K1A O1A 60.12(4) . . ?
O3A K1A O1A 118.64(4) 3_756 3_756 ?
O3A K1A O1A 61.36(4) . 3_756 ?
O2A K1A O1A 60.12(4) 3_756 3_756 ?
O2A K1A O1A 119.88(4) . 3_756 ?
O1A K1A O1A 180.0 . 3_756 ?
O3A K1A C17 98.92(6) 3_756 . ?
O3A K1A C17 81.08(6) . . ?
O2A K1A C17 104.39(7) 3_756 . ?
O2A K1A C17 75.61(7) . . ?
O1A K1A C17 95.60(6) . . ?
O1A K1A C17 84.40(6) 3_756 . ?
O3A K1A C17 81.08(6) 3_756 3_756 ?
O3A K1A C17 98.92(6) . 3_756 ?
O2A K1A C17 75.61(7) 3_756 3_756 ?
O2A K1A C17 104.39(7) . 3_756 ?
O1A K1A C17 84.40(6) . 3_756 ?
O1A K1A C17 95.60(6) 3_756 3_756 ?
C17 K1A C17 180.0 . 3_756 ?
O3A K1A C16 87.52(7) 3_756 . ?
O3A K1A C16 92.48(7) . . ?
O2A K1A C16 80.73(7) 3_756 . ?
O2A K1A C16 99.27(7) . . ?
O1A K1A C16 108.22(6) . . ?
O1A K1A C16 71.78(6) 3_756 . ?
C17 K1A C16 23.66(7) . . ?
C17 K1A C16 156.34(7) 3_756 . ?
O3A K1A C16 92.48(7) 3_756 3_756 ?
O3A K1A C16 87.52(7) . 3_756 ?
O2A K1A C16 99.27(7) 3_756 3_756 ?
O2A K1A C16 80.73(7) . 3_756 ?
O1A K1A C16 71.78(6) . 3_756 ?
O1A K1A C16 108.22(6) 3_756 3_756 ?
C17 K1A C16 156.34(7) . 3_756 ?
C17 K1A C16 23.66(7) 3_756 3_756 ?
C16 K1A C16 180.0 . 3_756 ?
C2A O1A C1A 110.49(18) . . ?
C2A O1A K1A 113.57(13) . . ?
C1A O1A K1A 109.79(12) . . ?
O1A C1A C6A 108.97(19) . 3_756 ?
C3A O2A C4A 111.82(18) . . ?
C3A O2A K1A 116.37(13) . . ?
C4A O2A K1A 116.39(13) . . ?
O1A C2A C3A 108.41(19) . . ?
C6A O3A C5A 113.71(18) . . ?
C6A O3A K1A 115.13(13) . . ?
C5A O3A K1A 116.15(13) . . ?
O2A C3A C2A 108.7(2) . . ?
O2A C4A C5A 108.1(2) . . ?
O3A C5A C4A 108.65(19) . . ?
O3A C6A C1A 108.73(19) . 3_756 ?
O2B K1B O2B 180.00(6) 3_655 . ?
O2B K1B O1B 118.59(5) 3_655 . ?
O2B K1B O1B 61.41(5) . . ?
O2B K1B O1B 61.41(5) 3_655 3_655 ?
O2B K1B O1B 118.59(5) . 3_655 ?
O1B K1B O1B 180.00(4) . 3_655 ?
O2B K1B O3B 59.71(5) 3_655 3_655 ?
O2B K1B O3B 120.29(5) . 3_655 ?
O1B K1B O3B 59.91(5) . 3_655 ?
O1B K1B O3B 120.09(5) 3_655 3_655 ?
O2B K1B O3B 120.29(5) 3_655 . ?
O2B K1B O3B 59.71(5) . . ?
O1B K1B O3B 120.09(5) . . ?
O1B K1B O3B 59.91(5) 3_655 . ?
O3B K1B O3B 180.00(9) 3_655 . ?
C1B O1B C2B 112.6(2) . . ?
C1B O1B K1B 114.59(14) . . ?
C2B O1B K1B 114.44(14) . . ?
O1B C1B C6B 109.1(2) . 3_655 ?
C3B O2B C4B 112.12(18) . . ?
C3B O2B K1B 113.09(14) . . ?
C4B O2B K1B 116.50(13) . . ?
O1B C2B C3B 108.9(2) . . ?
C5B O3B C6B 113.6(2) . . ?
C5B O3B K1B 115.81(14) . . ?
C6B O3B K1B 116.29(14) . . ?
O2B C3B C2B 109.6(2) . . ?
O2B C4B C5B 108.7(2) . . ?
O3B C5B C4B 108.0(2) . . ?
O3B C6B C1B 107.7(2) . 3_655 ?
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 C7 1.919(2) . ?
Si1 C1 1.925(2) . ?
Si1 C13 1.937(2) . ?
C1 C6 1.388(3) . ?
C1 C2 1.391(3) . ?
C2 C3 1.386(4) . ?
C3 C4 1.375(4) . ?
C4 C5 1.379(4) . ?
C5 C6 1.388(4) . ?
C7 C12 1.394(3) . ?
C7 C8 1.395(3) . ?
C8 C9 1.383(4) . ?
C9 C10 1.377(4) . ?
C10 C11 1.376(4) . ?
C11 C12 1.385(3) . ?
C13 C18 1.394(3) . ?
C13 C14 1.395(3) . ?
C14 C15 1.382(4) . ?
C15 C16 1.368(4) . ?
C16 C17 1.380(4) . ?
C16 K1A 3.371(3) . ?
C17 C18 1.401(4) . ?
C17 K1A 3.358(3) . ?
K1A O3A 2.7764(16) 3_756 ?
K1A O3A 2.7764(16) . ?
K1A O2A 2.7863(15) 3_756 ?
K1A O2A 2.7863(15) . ?
K1A O1A 2.8272(15) . ?
K1A O1A 2.8272(15) 3_756 ?
K1A C17 3.358(3) 3_756 ?
K1A C16 3.371(3) 3_756 ?
O1A C2A 1.423(3) . ?
O1A C1A 1.424(3) . ?
C1A C6A 1.504(3) 3_756 ?
O2A C3A 1.419(3) . ?
O2A C4A 1.423(3) . ?
C2A C3A 1.504(3) . ?
O3A C6A 1.415(3) . ?
O3A C5A 1.418(3) . ?
C4A C5A 1.497(3) . ?
C6A C1A 1.504(3) 3_756 ?
K1B O2B 2.7669(15) 3_655 ?
K1B O2B 2.7669(15) . ?
K1B O1B 2.7677(15) . ?
K1B O1B 2.7677(15) 3_655 ?
K1B O3B 2.8051(17) 3_655 ?
K1B O3B 2.8051(17) . ?
O1B C1B 1.416(3) . ?
O1B C2B 1.427(3) . ?
C1B C6B 1.492(4) 3_655 ?
O2B C3B 1.419(3) . ?
O2B C4B 1.424(3) . ?
C2B C3B 1.484(4) . ?
O3B C5B 1.416(3) . ?
O3B C6B 1.420(3) . ?
C4B C5B 1.494(4) . ?
C6B C1B 1.492(4) 3_655 ?
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
C7 Si1 C1 C6 -68.6(2) . . . . ?
C13 Si1 C1 C6 110.6(2) . . . . ?
C7 Si1 C1 C2 112.7(2) . . . . ?
C13 Si1 C1 C2 -68.1(2) . . . . ?
C6 C1 C2 C3 -1.4(4) . . . . ?
Si1 C1 C2 C3 177.3(2) . . . . ?
C1 C2 C3 C4 1.8(5) . . . . ?
C2 C3 C4 C5 -0.8(4) . . . . ?
C3 C4 C5 C6 -0.6(4) . . . . ?
C4 C5 C6 C1 0.9(4) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
Si1 C1 C6 C5 -178.75(19) . . . . ?
C1 Si1 C7 C12 -64.8(2) . . . . ?
C13 Si1 C7 C12 115.99(18) . . . . ?
C1 Si1 C7 C8 109.53(18) . . . . ?
C13 Si1 C7 C8 -69.6(2) . . . . ?
C12 C7 C8 C9 0.1(3) . . . . ?
Si1 C7 C8 C9 -174.51(18) . . . . ?
C7 C8 C9 C10 1.7(4) . . . . ?
C8 C9 C10 C11 -1.3(4) . . . . ?
C9 C10 C11 C12 -0.9(4) . . . . ?
C10 C11 C12 C7 2.7(4) . . . . ?
C8 C7 C12 C11 -2.2(3) . . . . ?
Si1 C7 C12 C11 172.46(19) . . . . ?
C7 Si1 C13 C18 76.1(2) . . . . ?
C1 Si1 C13 C18 -103.0(2) . . . . ?
C7 Si1 C13 C14 -104.2(2) . . . . ?
C1 Si1 C13 C14 76.7(2) . . . . ?
C18 C13 C14 C15 0.8(3) . . . . ?
Si1 C13 C14 C15 -178.89(19) . . . . ?
C13 C14 C15 C16 -1.6(4) . . . . ?
C14 C15 C16 C17 0.5(4) . . . . ?
C14 C15 C16 K1A 84.2(3) . . . . ?
C15 C16 C17 C18 1.3(4) . . . . ?
K1A C16 C17 C18 -98.3(2) . . . . ?
C15 C16 C17 K1A 99.7(2) . . . . ?
C14 C13 C18 C17 1.1(3) . . . . ?
Si1 C13 C18 C17 -179.23(19) . . . . ?
C16 C17 C18 C13 -2.2(4) . . . . ?
K1A C17 C18 C13 -86.4(2) . . . . ?
C16 C17 K1A O3A -62.13(17) . . . 3_756 ?
C18 C17 K1A O3A 56.4(2) . . . 3_756 ?
C16 C17 K1A O3A 117.87(17) . . . . ?
C18 C17 K1A O3A -123.6(2) . . . . ?
C16 C17 K1A O2A -1.15(18) . . . 3_756 ?
C18 C17 K1A O2A 117.37(19) . . . 3_756 ?
C16 C17 K1A O2A 178.85(18) . . . . ?
C18 C17 K1A O2A -62.63(19) . . . . ?
C16 C17 K1A O1A -123.97(17) . . . . ?
C18 C17 K1A O1A -5.4(2) . . . . ?
C16 C17 K1A O1A 56.03(17) . . . 3_756 ?
C18 C17 K1A O1A 174.6(2) . . . 3_756 ?
C16 C17 K1A C17 -91(100) . . . 3_756 ?
C18 C17 K1A C17 27(100) . . . 3_756 ?
C18 C17 K1A C16 118.5(3) . . . . ?
C16 C17 K1A C16 180.0 . . . 3_756 ?
C18 C17 K1A C16 -61.5(3) . . . 3_756 ?
C15 C16 K1A O3A 1.57(19) . . . 3_756 ?
C17 C16 K1A O3A 119.06(17) . . . 3_756 ?
C15 C16 K1A O3A -178.43(19) . . . . ?
C17 C16 K1A O3A -60.94(17) . . . . ?
C15 C16 K1A O2A 61.39(19) . . . 3_756 ?
C17 C16 K1A O2A 178.87(18) . . . 3_756 ?
C15 C16 K1A O2A -118.61(19) . . . . ?
C17 C16 K1A O2A -1.13(18) . . . . ?
C15 C16 K1A O1A -57.1(2) . . . . ?
C17 C16 K1A O1A 60.34(18) . . . . ?
C15 C16 K1A O1A 122.9(2) . . . 3_756 ?
C17 C16 K1A O1A -119.66(18) . . . 3_756 ?
C15 C16 K1A C17 -117.5(3) . . . . ?
C15 C16 K1A C17 62.5(3) . . . 3_756 ?
C17 C16 K1A C17 180.0 . . . 3_756 ?
C15 C16 K1A C16 73(100) . . . 3_756 ?
C17 C16 K1A C16 -170(100) . . . 3_756 ?
O3A K1A O1A C2A -147.06(16) 3_756 . . . ?
O3A K1A O1A C2A 32.94(16) . . . . ?
O2A K1A O1A C2A -160.08(14) 3_756 . . . ?
O2A K1A O1A C2A 19.92(14) . . . . ?
O1A K1A O1A C2A 162(100) 3_756 . . . ?
C17 K1A O1A C2A -49.94(16) . . . . ?
C17 K1A O1A C2A 130.06(16) 3_756 . . . ?
C16 K1A O1A C2A -70.45(16) . . . . ?
C16 K1A O1A C2A 109.55(16) 3_756 . . . ?
O3A K1A O1A C1A -22.81(13) 3_756 . . . ?
O3A K1A O1A C1A 157.19(13) . . . . ?
O2A K1A O1A C1A -35.83(15) 3_756 . . . ?
O2A K1A O1A C1A 144.17(15) . . . . ?
O1A K1A O1A C1A -73(100) 3_756 . . . ?
C17 K1A O1A C1A 74.32(14) . . . . ?
C17 K1A O1A C1A -105.68(14) 3_756 . . . ?
C16 K1A O1A C1A 53.80(15) . . . . ?
C16 K1A O1A C1A -126.20(15) 3_756 . . . ?
C2A O1A C1A C6A -178.51(19) . . . 3_756 ?
K1A O1A C1A C6A 55.5(2) . . . 3_756 ?
O3A K1A O2A C3A 28.30(17) 3_756 . . . ?
O3A K1A O2A C3A -151.70(17) . . . . ?
O2A K1A O2A C3A -54(100) 3_756 . . . ?
O1A K1A O2A C3A 15.08(15) . . . . ?
O1A K1A O2A C3A -164.92(15) 3_756 . . . ?
C17 K1A O2A C3A 120.36(16) . . . . ?
C17 K1A O2A C3A -59.64(16) 3_756 . . . ?
C16 K1A O2A C3A 120.83(16) . . . . ?
C16 K1A O2A C3A -59.17(16) 3_756 . . . ?
O3A K1A O2A C4A 163.45(14) 3_756 . . . ?
O3A K1A O2A C4A -16.55(14) . . . . ?
O2A K1A O2A C4A 81(100) 3_756 . . . ?
O1A K1A O2A C4A 150.23(16) . . . . ?
O1A K1A O2A C4A -29.77(16) 3_756 . . . ?
C17 K1A O2A C4A -104.48(16) . . . . ?
C17 K1A O2A C4A 75.52(16) 3_756 . . . ?
C16 K1A O2A C4A -104.02(16) . . . . ?
C16 K1A O2A C4A 75.98(16) 3_756 . . . ?
C1A O1A C2A C3A -175.04(19) . . . . ?
K1A O1A C2A C3A -51.2(2) . . . . ?
O3A K1A O3A C6A 119(50) 3_756 . . . ?
O2A K1A O3A C6A 25.52(16) 3_756 . . . ?
O2A K1A O3A C6A -154.48(16) . . . . ?
O1A K1A O3A C6A -167.54(14) . . . . ?
O1A K1A O3A C6A 12.46(14) 3_756 . . . ?
C17 K1A O3A C6A -76.00(15) . . . . ?
C17 K1A O3A C6A 104.00(15) 3_756 . . . ?
C16 K1A O3A C6A -55.20(15) . . . . ?
C16 K1A O3A C6A 124.80(15) 3_756 . . . ?
O3A K1A O3A C5A -105(50) 3_756 . . . ?
O2A K1A O3A C5A 162.00(14) 3_756 . . . ?
O2A K1A O3A C5A -18.00(14) . . . . ?
O1A K1A O3A C5A -31.06(16) . . . . ?
O1A K1A O3A C5A 148.94(16) 3_756 . . . ?
C17 K1A O3A C5A 60.48(16) . . . . ?
C17 K1A O3A C5A -119.52(16) 3_756 . . . ?
C16 K1A O3A C5A 81.28(16) . . . . ?
C16 K1A O3A C5A -98.72(16) 3_756 . . . ?
C4A O2A C3A C2A 176.21(19) . . . . ?
K1A O2A C3A C2A -46.7(2) . . . . ?
O1A C2A C3A O2A 65.1(2) . . . . ?
C3A O2A C4A C5A -175.86(19) . . . . ?
K1A O2A C4A C5A 47.0(2) . . . . ?
C6A O3A C5A C4A -174.1(2) . . . . ?
K1A O3A C5A C4A 48.9(2) . . . . ?
O2A C4A C5A O3A -62.6(2) . . . . ?
C5A O3A C6A C1A 177.5(2) . . . 3_756 ?
K1A O3A C6A C1A -45.0(2) . . . 3_756 ?
O2B K1B O1B C1B -32.78(18) 3_655 . . . ?
O2B K1B O1B C1B 147.22(18) . . . . ?
O1B K1B O1B C1B 125(100) 3_655 . . . ?
O3B K1B O1B C1B -21.24(16) 3_655 . . . ?
O3B K1B O1B C1B 158.76(16) . . . . ?
O2B K1B O1B C2B -165.00(15) 3_655 . . . ?
O2B K1B O1B C2B 15.00(15) . . . . ?
O1B K1B O1B C2B -8(100) 3_655 . . . ?
O3B K1B O1B C2B -153.45(17) 3_655 . . . ?
O3B K1B O1B C2B 26.55(17) . . . . ?
C2B O1B C1B C6B -173.7(2) . . . 3_655 ?
K1B O1B C1B C6B 53.2(2) . . . 3_655 ?
O2B K1B O2B C3B 74(100) 3_655 . . . ?
O1B K1B O2B C3B 19.12(14) . . . . ?
O1B K1B O2B C3B -160.88(14) 3_655 . . . ?
O3B K1B O2B C3B 30.68(16) 3_655 . . . ?
O3B K1B O2B C3B -149.32(16) . . . . ?
O2B K1B O2B C4B -154(100) 3_655 . . . ?
O1B K1B O2B C4B 151.18(16) . . . . ?
O1B K1B O2B C4B -28.82(16) 3_655 . . . ?
O3B K1B O2B C4B 162.74(15) 3_655 . . . ?
O3B K1B O2B C4B -17.26(15) . . . . ?
C1B O1B C2B C3B -179.5(2) . . . . ?
K1B O1B C2B C3B -46.3(2) . . . . ?
O2B K1B O3B C5B 162.60(15) 3_655 . . . ?
O2B K1B O3B C5B -17.40(15) . . . . ?
O1B K1B O3B C5B -29.14(16) . . . . ?
O1B K1B O3B C5B 150.86(16) 3_655 . . . ?
O3B K1B O3B C5B 42(33) 3_655 . . . ?
O2B K1B O3B C6B 25.23(17) 3_655 . . . ?
O2B K1B O3B C6B -154.77(17) . . . . ?
O1B K1B O3B C6B -166.51(16) . . . . ?
O1B K1B O3B C6B 13.49(16) 3_655 . . . ?
O3B K1B O3B C6B -96(33) 3_655 . . . ?
C4B O2B C3B C2B 174.8(2) . . . . ?
K1B O2B C3B C2B -51.0(2) . . . . ?
O1B C2B C3B O2B 65.6(3) . . . . ?
C3B O2B C4B C5B -179.1(2) . . . . ?
K1B O2B C4B C5B 48.4(2) . . . . ?
C6B O3B C5B C4B -173.5(2) . . . . ?
K1B O3B C5B C4B 48.0(2) . . . . ?
O2B C4B C5B O3B -63.1(3) . . . . ?
C5B O3B C6B C1B 177.5(2) . . . 3_655 ?
K1B O3B C6B C1B -44.2(2) . . . 3_655 ?
