#------------------------------------------------------------------------------
#$Date: 2019-11-25 17:45:39 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241476 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/12/4131215.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_4131215
loop_
_publ_author_name
'Kosai, Tomoyuki'
'Ishida, Shintaro'
'Iwamoto, Takeaki'
_publ_section_title
;
 Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds
 via a SiMe(2) Unit.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              99
_journal_page_last               102
_journal_paper_doi               10.1021/jacs.6b11912
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C35 H76 O5 Si6 K'
_chemical_formula_sum            'C35 H76 K O5 Si6'
_chemical_formula_weight         784.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 105.870(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.701(2)
_cell_length_b                   15.065(2)
_cell_length_c                   22.310(3)
_cell_measurement_reflns_used    9913
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.33
_cell_volume                     4752.7(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24087
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.652
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  0.9882
_exptl_absorpt_correction_T_min  0.9431
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_description       plate
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         9317
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0339P)²+2.2036P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0788
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7918
_reflns_number_total             9317
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b11912_si_002.cif
_cod_data_source_block           Compound4_si339a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4131215
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.943
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Si1 Si -0.02817(3) 0.24804(3) 0.21305(2) 0.01370(9) Uani 1 1 d . .
C1 C -0.16244(10) 0.27381(10) 0.18633(7) 0.0158(3) Uani 1 1 d . .
C2 C -0.18063(10) 0.30660(11) 0.24878(7) 0.0187(3) Uani 1 1 d . .
H1 H -0.1662 0.3708 0.2541 0.022 Uiso 1 1 calc R U
H2 H -0.2482 0.2982 0.2467 0.022 Uiso 1 1 calc R U
C3 C -0.11904(10) 0.25537(10) 0.30525(7) 0.0179(3) Uani 1 1 d . .
H3 H -0.1463 0.1956 0.3067 0.022 Uiso 1 1 calc R U
H4 H -0.1199 0.2869 0.3440 0.022 Uiso 1 1 calc R U
C4 C -0.01404(10) 0.24576(9) 0.30222(7) 0.0146(3) Uani 1 1 d . .
Si2 Si 0.05451(3) 0.24151(3) 0.14519(2) 0.01909(10) Uani 1 1 d . .
K1 K 0.11431(2) 0.26814(2) 0.01083(2) 0.01993(8) Uani 1 1 d . .
C5 C 0.18761(10) 0.22705(10) 0.18749(7) 0.0158(3) Uani 1 1 d . .
Si3 Si -0.18906(3) 0.36939(3) 0.12883(2) 0.01941(10) Uani 1 1 d . .
C6 C -0.30766(12) 0.42092(13) 0.12528(9) 0.0343(4) Uani 1 1 d . .
H5 H -0.3190 0.4179 0.1665 0.051 Uiso 1 1 calc R U
H6 H -0.3576 0.3885 0.0951 0.051 Uiso 1 1 calc R U
H7 H -0.3079 0.4831 0.1123 0.051 Uiso 1 1 calc R U
C7 C -0.18924(12) 0.33474(12) 0.04795(7) 0.0264(4) Uani 1 1 d . .
H8 H -0.2031 0.3863 0.0201 0.040 Uiso 1 1 calc R U
H9 H -0.2377 0.2891 0.0329 0.040 Uiso 1 1 calc R U
H10 H -0.1271 0.3107 0.0486 0.040 Uiso 1 1 calc R U
C8 C -0.10536(12) 0.46507(11) 0.15181(8) 0.0277(4) Uani 1 1 d . .
H11 H -0.0401 0.4431 0.1627 0.042 Uiso 1 1 calc R U
H12 H -0.1170 0.4954 0.1879 0.042 Uiso 1 1 calc R U
H13 H -0.1151 0.5068 0.1169 0.042 Uiso 1 1 calc R U
Si4 Si -0.23940(3) 0.17424(3) 0.15419(2) 0.02068(10) Uani 1 1 d . .
C9 C -0.36453(11) 0.20533(14) 0.11127(8) 0.0321(4) Uani 1 1 d . .
H14 H -0.3642 0.2407 0.0745 0.048 Uiso 1 1 calc R U
H15 H -0.3925 0.2402 0.1388 0.048 Uiso 1 1 calc R U
H16 H -0.4018 0.1513 0.0983 0.048 Uiso 1 1 calc R U
C10 C -0.19295(12) 0.10594(12) 0.09898(9) 0.0338(4) Uani 1 1 d . .
H17 H -0.1291 0.0851 0.1201 0.051 Uiso 1 1 calc R U
H18 H -0.1910 0.1421 0.0629 0.051 Uiso 1 1 calc R U
H19 H -0.2345 0.0548 0.0851 0.051 Uiso 1 1 calc R U
C11 C -0.25846(13) 0.09762(13) 0.21604(9) 0.0358(4) Uani 1 1 d . .
H20 H -0.2985 0.0479 0.1964 0.054 Uiso 1 1 calc R U
H21 H -0.2895 0.1301 0.2431 0.054 Uiso 1 1 calc R U
H22 H -0.1973 0.0749 0.2410 0.054 Uiso 1 1 calc R U
Si5 Si 0.03521(3) 0.13587(3) 0.33833(2) 0.01693(9) Uani 1 1 d . .
C12 C -0.01098(11) 0.03587(10) 0.28848(8) 0.0245(3) Uani 1 1 d . .
H23 H -0.0212 0.0513 0.2445 0.037 Uiso 1 1 calc R U
H24 H -0.0709 0.0168 0.2956 0.037 Uiso 1 1 calc R U
H25 H 0.0352 -0.0125 0.2995 0.037 Uiso 1 1 calc R U
C13 C 0.16733(11) 0.13161(11) 0.35754(8) 0.0241(3) Uani 1 1 d . .
H26 H 0.1890 0.0711 0.3700 0.036 Uiso 1 1 calc R U
H27 H 0.1945 0.1726 0.3919 0.036 Uiso 1 1 calc R U
H28 H 0.1876 0.1489 0.3209 0.036 Uiso 1 1 calc R U
C14 C 0.00019(12) 0.11563(11) 0.41267(8) 0.0276(4) Uani 1 1 d . .
H29 H 0.0064 0.0523 0.4230 0.041 Uiso 1 1 calc R U
H30 H -0.0656 0.1342 0.4069 0.041 Uiso 1 1 calc R U
H31 H 0.0416 0.1499 0.4467 0.041 Uiso 1 1 calc R U
Si6 Si 0.05836(3) 0.34158(3) 0.34555(2) 0.01791(10) Uani 1 1 d . .
C15 C 0.17648(12) 0.35430(12) 0.33050(9) 0.0326(4) Uani 1 1 d . .
H32 H 0.1692 0.3521 0.2855 0.049 Uiso 1 1 calc R U
H33 H 0.2182 0.3061 0.3511 0.049 Uiso 1 1 calc R U
H34 H 0.2041 0.4114 0.3470 0.049 Uiso 1 1 calc R U
C16 C 0.07896(13) 0.33038(12) 0.43237(7) 0.0291(4) Uani 1 1 d . .
H35 H 0.1206 0.2796 0.4475 0.044 Uiso 1 1 calc R U
H36 H 0.0183 0.3211 0.4418 0.044 Uiso 1 1 calc R U
H37 H 0.1087 0.3846 0.4530 0.044 Uiso 1 1 calc R U
C17 C -0.00334(14) 0.45082(11) 0.32686(9) 0.0358(4) Uani 1 1 d . .
H38 H 0.0373 0.4981 0.3499 0.054 Uiso 1 1 calc R U
H39 H -0.0627 0.4494 0.3388 0.054 Uiso 1 1 calc R U
H40 H -0.0169 0.4623 0.2820 0.054 Uiso 1 1 calc R U
C18 C 0.22913(10) 0.14232(10) 0.20318(7) 0.0172(3) Uani 1 1 d . .
C19 C 0.32699(10) 0.13228(10) 0.22396(7) 0.0188(3) Uani 1 1 d . .
H41 H 0.3527 0.0747 0.2346 0.023 Uiso 1 1 calc R U
C20 C 0.38790(10) 0.20424(11) 0.22954(7) 0.0200(3) Uani 1 1 d . .
C21 C 0.34805(11) 0.28763(11) 0.21453(7) 0.0207(3) Uani 1 1 d . .
H42 H 0.3884 0.3378 0.2189 0.025 Uiso 1 1 calc R U
C22 C 0.25020(10) 0.29998(10) 0.19317(7) 0.0184(3) Uani 1 1 d . .
C23 C 0.16778(11) 0.06049(10) 0.19560(8) 0.0229(3) Uani 1 1 d . .
H43 H 0.2079 0.0074 0.2029 0.034 Uiso 1 1 calc R U
H44 H 0.1254 0.0587 0.1532 0.034 Uiso 1 1 calc R U
H45 H 0.1302 0.0622 0.2257 0.034 Uiso 1 1 calc R U
C24 C 0.49387(11) 0.19114(12) 0.24716(8) 0.0272(4) Uani 1 1 d . .
H46 H 0.5252 0.2490 0.2498 0.041 Uiso 1 1 calc R U
H47 H 0.5109 0.1547 0.2155 0.041 Uiso 1 1 calc R U
H48 H 0.5143 0.1612 0.2876 0.041 Uiso 1 1 calc R U
C25 C 0.21363(12) 0.39244(10) 0.17366(8) 0.0251(4) Uani 1 1 d . .
H49 H 0.2647 0.4356 0.1886 0.038 Uiso 1 1 calc R U
H50 H 0.1614 0.4062 0.1916 0.038 Uiso 1 1 calc R U
H51 H 0.1911 0.3954 0.1281 0.038 Uiso 1 1 calc R U
C26 C 0.31600(16) 0.42463(13) 0.02396(11) 0.0491(6) Uani 1 1 d . .
H52 H 0.2596 0.4622 0.0171 0.074 Uiso 1 1 calc R U
H53 H 0.3649 0.4465 0.0602 0.074 Uiso 1 1 calc R U
H54 H 0.3399 0.4265 -0.0130 0.074 Uiso 1 1 calc R U
O1 O 0.29233(8) 0.33612(7) 0.03492(5) 0.0271(3) Uani 1 1 d . .
C27 C 0.37172(12) 0.27883(12) 0.04519(9) 0.0312(4) Uani 1 1 d . .
H55 H 0.4257 0.3047 0.0771 0.037 Uiso 1 1 calc R U
H56 H 0.3906 0.2717 0.0061 0.037 Uiso 1 1 calc R U
C28 C 0.34670(12) 0.19045(12) 0.06669(8) 0.0311(4) Uani 1 1 d . .
H57 H 0.4026 0.1509 0.0755 0.037 Uiso 1 1 calc R U
H58 H 0.3275 0.1977 0.1056 0.037 Uiso 1 1 calc R U
O2 O 0.27143(8) 0.15181(7) 0.01999(5) 0.0230(2) Uani 1 1 d . .
C29 C 0.24805(14) 0.06669(11) 0.03888(8) 0.0347(4) Uani 1 1 d . .
H59 H 0.1961 0.0413 0.0061 0.052 Uiso 1 1 calc R U
H60 H 0.3034 0.0277 0.0463 0.052 Uiso 1 1 calc R U
H61 H 0.2286 0.0724 0.0773 0.052 Uiso 1 1 calc R U
C30 C 0.20048(12) 0.27123(13) -0.12185(8) 0.0326(4) Uani 1 1 d . .
H62 H 0.2560 0.2402 -0.0959 0.049 Uiso 1 1 calc R U
H63 H 0.2051 0.3346 -0.1116 0.049 Uiso 1 1 calc R U
H64 H 0.1978 0.2633 -0.1659 0.049 Uiso 1 1 calc R U
O3 O 0.11738(8) 0.23585(7) -0.11044(5) 0.0230(2) Uani 1 1 d . .
C31 C 0.10637(13) 0.14401(12) -0.12512(8) 0.0312(4) Uani 1 1 d . .
H65 H 0.1596 0.1100 -0.0981 0.037 Uiso 1 1 calc R U
H66 H 0.1061 0.1343 -0.1691 0.037 Uiso 1 1 calc R U
C32 C 0.01521(14) 0.11344(13) -0.11508(8) 0.0380(5) Uani 1 1 d . .
H67 H -0.0380 0.1472 -0.1423 0.046 Uiso 1 1 calc R U
H68 H 0.0055 0.0497 -0.1255 0.046 Uiso 1 1 calc R U
O4 O 0.01857(9) 0.12740(9) -0.05134(6) 0.0351(3) Uani 1 1 d . .
C33 C -0.06563(17) 0.1005(2) -0.03708(12) 0.0729(9) Uani 1 1 d . .
H69 H -0.0596 0.1114 0.0071 0.109 Uiso 1 1 calc R U
H70 H -0.1192 0.1343 -0.0626 0.109 Uiso 1 1 calc R U
H71 H -0.0762 0.0370 -0.0459 0.109 Uiso 1 1 calc R U
C34 C -0.06603(12) 0.37319(13) -0.10529(8) 0.0341(4) Uani 1 1 d . .
H72 H -0.0445 0.3153 -0.1161 0.051 Uiso 1 1 calc R U
H73 H -0.1298 0.3673 -0.1001 0.051 Uiso 1 1 calc R U
H74 H -0.0670 0.4158 -0.1387 0.051 Uiso 1 1 calc R U
O5 O -0.00311(8) 0.40394(7) -0.04846(5) 0.0252(3) Uani 1 1 d . .
C35 C -0.03235(11) 0.48782(11) -0.03134(7) 0.0245(4) Uani 1 1 d . .
H75 H -0.0986 0.4846 -0.0291 0.029 Uiso 1 1 calc R U
H76 H -0.0285 0.5332 -0.0627 0.029 Uiso 1 1 calc R U
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_3
C1 Si1 C4 97.66(6) .
C1 Si1 Si2 120.52(5) .
C4 Si1 Si2 141.60(5) .
C2 C1 Si3 107.93(10) .
C2 C1 Si4 110.83(10) .
Si3 C1 Si4 110.69(7) .
C2 C1 Si1 101.32(9) .
Si3 C1 Si1 111.37(7) .
Si4 C1 Si1 114.18(8) .
C3 C2 C1 111.31(12) .
C2 C3 C4 112.06(12) .
C3 C4 Si6 109.25(10) .
C3 C4 Si5 109.14(10) .
Si6 C4 Si5 110.65(7) .
C3 C4 Si1 102.19(9) .
Si6 C4 Si1 113.38(7) .
Si5 C4 Si1 111.83(7) .
C5 Si2 Si1 110.24(5) .
C5 Si2 K1 88.42(4) .
Si1 Si2 K1 159.98(2) .
O4 K1 O1 137.08(4) .
O4 K1 O3 60.38(3) .
O1 K1 O3 89.27(3) .
O4 K1 O5 99.50(4) .
O1 K1 O5 104.85(4) .
O3 K1 O5 80.63(3) .
O4 K1 O2 81.57(4) .
O1 K1 O2 60.19(3) .
O3 K1 O2 74.52(3) .
O5 K1 O2 150.72(3) .
O4 K1 Si2 97.87(3) .
O1 K1 Si2 109.85(3) .
O3 K1 Si2 158.20(3) .
O5 K1 Si2 103.45(3) .
O2 K1 Si2 105.38(3) .
O4 K1 C28 103.91(4) .
O1 K1 C28 42.63(4) .
O3 K1 C28 90.81(4) .
O5 K1 C28 146.82(4) .
O2 K1 C28 23.11(4) .
Si2 K1 C28 96.32(3) .
O4 K1 C34 78.14(4) .
O1 K1 C34 117.65(4) .
O3 K1 C34 64.57(4) .
O5 K1 C34 22.20(4) .
O2 K1 C34 139.08(4) .
Si2 K1 C34 112.30(3) .
C28 K1 C34 150.90(5) .
O4 K1 C31 41.96(4) .
O1 K1 C31 99.94(4) .
O3 K1 C31 21.95(4) .
O5 K1 C31 96.37(4) .
O2 K1 C31 64.81(4) .
Si2 K1 C31 138.08(3) .
C28 K1 C31 85.91(4) .
C34 K1 C31 76.47(4) .
C22 C5 C18 116.83(13) .
C22 C5 Si2 120.07(11) .
C18 C5 Si2 122.06(11) .
C8 Si3 C7 107.76(8) .
C8 Si3 C6 102.99(8) .
C7 Si3 C6 108.36(8) .
C8 Si3 C1 113.61(7) .
C7 Si3 C1 112.62(7) .
C6 Si3 C1 110.95(7) .
C10 Si4 C11 107.47(9) .
C10 Si4 C9 106.45(8) .
C11 Si4 C9 101.83(8) .
C10 Si4 C1 113.34(7) .
C11 Si4 C1 113.68(7) .
C9 Si4 C1 113.17(8) .
C13 Si5 C12 106.94(7) .
C13 Si5 C14 107.93(8) .
C12 Si5 C14 104.37(8) .
C13 Si5 C4 112.27(7) .
C12 Si5 C4 114.39(7) .
C14 Si5 C4 110.46(7) .
C15 Si6 C17 106.73(9) .
C15 Si6 C16 107.34(8) .
C17 Si6 C16 103.87(8) .
C15 Si6 C4 114.02(7) .
C17 Si6 C4 112.72(7) .
C16 Si6 C4 111.48(7) .
C19 C18 C5 121.05(14) .
C19 C18 C23 118.64(14) .
C5 C18 C23 120.28(13) .
C20 C19 C18 121.75(14) .
C21 C20 C19 117.73(14) .
C21 C20 C24 121.19(14) .
C19 C20 C24 120.96(15) .
C20 C21 C22 121.98(14) .
C21 C22 C5 120.65(14) .
C21 C22 C25 118.15(14) .
C5 C22 C25 121.14(13) .
C26 O1 C27 111.75(14) .
C26 O1 K1 126.03(11) .
C27 O1 K1 120.44(9) .
O1 C27 C28 109.27(14) .
O2 C28 C27 109.90(13) .
O2 C28 K1 52.23(7) .
C27 C28 K1 83.68(9) .
C28 O2 C29 110.82(12) .
C28 O2 K1 104.66(9) .
C29 O2 K1 108.53(10) .
C30 O3 C31 111.96(13) .
C30 O3 K1 110.82(9) .
C31 O3 K1 111.47(9) .
O3 C31 C32 108.45(14) .
O3 C31 K1 46.58(7) .
C32 C31 K1 81.65(10) .
O4 C32 C31 108.49(14) .
C33 O4 C32 112.79(15) .
C33 O4 K1 118.18(13) .
C32 O4 K1 119.87(10) .
O5 C34 K1 47.15(7) .
C35 O5 C34 110.94(12) .
C35 O5 K1 136.39(9) .
C34 O5 K1 110.64(10) .
O5 C35 C35 107.80(15) 3_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C1 1.9388(15) .
Si1 C4 1.9433(15) .
Si1 Si2 2.1878(6) .
C1 C2 1.569(2) .
C1 Si3 1.8966(15) .
C1 Si4 1.8975(15) .
C2 C3 1.542(2) .
C3 C4 1.5701(19) .
C4 Si6 1.8943(15) .
C4 Si5 1.8960(15) .
Si2 C5 1.9382(15) .
Si2 K1 3.3705(7) .
K1 O4 2.7079(13) .
K1 O1 2.7235(12) .
K1 O3 2.7613(12) .
K1 O5 2.7687(11) .
K1 O2 2.8618(12) .
K1 C28 3.5023(18) .
K1 C34 3.5339(18) .
K1 C31 3.5378(18) .
C5 C22 1.416(2) .
C5 C18 1.417(2) .
Si3 C8 1.8734(17) .
Si3 C7 1.8778(17) .
Si3 C6 1.8902(17) .
Si4 C10 1.8716(18) .
Si4 C11 1.8777(18) .
Si4 C9 1.8859(17) .
Si5 C13 1.8722(16) .
Si5 C12 1.8854(16) .
Si5 C14 1.8909(16) .
Si6 C15 1.8665(18) .
Si6 C17 1.8702(18) .
Si6 C16 1.8846(17) .
C18 C19 1.394(2) .
C18 C23 1.509(2) .
C19 C20 1.390(2) .
C20 C21 1.388(2) .
C20 C24 1.512(2) .
C21 C22 1.399(2) .
C22 C25 1.513(2) .
C26 O1 1.416(2) .
O1 C27 1.419(2) .
C27 C28 1.495(2) .
C28 O2 1.4206(19) .
O2 C29 1.421(2) .
C30 O3 1.418(2) .
O3 C31 1.421(2) .
C31 C32 1.491(3) .
C32 O4 1.425(2) .
O4 C33 1.419(2) .
C34 O5 1.427(2) .
O5 C35 1.4203(19) .
C35 C35 1.506(3) 3_565
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
Si3 C1 C2 C3 -152.59(10) .
Si4 C1 C2 C3 86.05(13) .
Si1 C1 C2 C3 -35.50(13) .
C1 C2 C3 C4 44.86(16) .
C2 C3 C4 Si6 92.23(13) .
C2 C3 C4 Si5 -146.66(11) .
C2 C3 C4 Si1 -28.13(14) .
C2 C1 Si3 C8 66.34(11) .
Si4 C1 Si3 C8 -172.21(8) .
Si1 C1 Si3 C8 -44.04(10) .
C2 C1 Si3 C7 -170.79(10) .
Si4 C1 Si3 C7 -49.33(10) .
Si1 C1 Si3 C7 78.83(9) .
C2 C1 Si3 C6 -49.13(12) .
Si4 C1 Si3 C6 72.32(10) .
Si1 C1 Si3 C6 -159.51(8) .
C2 C1 Si4 C10 -158.49(11) .
Si3 C1 Si4 C10 81.79(10) .
Si1 C1 Si4 C10 -44.84(11) .
C2 C1 Si4 C11 -35.37(13) .
Si3 C1 Si4 C11 -155.10(8) .
Si1 C1 Si4 C11 78.28(10) .
C2 C1 Si4 C9 80.17(12) .
Si3 C1 Si4 C9 -39.55(10) .
Si1 C1 Si4 C9 -166.18(8) .
C3 C4 Si5 C13 -163.83(10) .
Si6 C4 Si5 C13 -43.59(10) .
Si1 C4 Si5 C13 83.84(9) .
C3 C4 Si5 C12 74.08(11) .
Si6 C4 Si5 C12 -165.68(7) .
Si1 C4 Si5 C12 -38.25(10) .
C3 C4 Si5 C14 -43.31(12) .
Si6 C4 Si5 C14 76.94(9) .
Si1 C4 Si5 C14 -155.64(8) .
C3 C4 Si6 C15 -166.37(10) .
Si5 C4 Si6 C15 73.45(10) .
Si1 C4 Si6 C15 -53.12(10) .
C3 C4 Si6 C17 -44.47(13) .
Si5 C4 Si6 C17 -164.66(9) .
Si1 C4 Si6 C17 68.77(10) .
C3 C4 Si6 C16 71.89(11) .
Si5 C4 Si6 C16 -48.29(10) .
Si1 C4 Si6 C16 -174.86(8) .
C22 C5 C18 C19 0.8(2) .
Si2 C5 C18 C19 169.15(11) .
C22 C5 C18 C23 -177.14(13) .
Si2 C5 C18 C23 -8.82(19) .
C5 C18 C19 C20 -0.7(2) .
C23 C18 C19 C20 177.29(14) .
C18 C19 C20 C21 0.9(2) .
C18 C19 C20 C24 -175.03(14) .
C19 C20 C21 C22 -1.3(2) .
C24 C20 C21 C22 174.61(14) .
C20 C21 C22 C5 1.5(2) .
C20 C21 C22 C25 -175.76(14) .
C18 C5 C22 C21 -1.2(2) .
Si2 C5 C22 C21 -169.79(11) .
C18 C5 C22 C25 176.00(14) .
Si2 C5 C22 C25 7.43(19) .
C26 O1 C27 C28 170.77(16) .
K1 O1 C27 C28 -23.51(18) .
O1 C27 C28 O2 61.55(19) .
O1 C27 C28 K1 15.61(12) .
C27 C28 O2 C29 178.58(15) .
K1 C28 O2 C29 -116.81(13) .
C27 C28 O2 K1 -64.62(15) .
C30 O3 C31 C32 -177.00(14) .
K1 O3 C31 C32 58.23(15) .
C30 O3 C31 K1 124.77(14) .
O3 C31 C32 O4 -60.37(19) .
K1 C31 C32 O4 -21.75(13) .
C31 C32 O4 C33 179.82(19) .
C31 C32 O4 K1 33.53(19) .
K1 C34 O5 C35 -166.54(14) .
C34 O5 C35 C35 175.37(17) 3_565
K1 O5 C35 C35 13.8(3) 3_565
