#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:47:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178916 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/45/4114566.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_4114566
loop_
_publ_author_name
'Yuxia Liu'
'Thomas C. Stringfellow'
'David Ballweg'
'Ilia A. Guzei'
'Robert West'
_publ_contact_author
; 
   Prof. Robert West 
   Department of Chemistry 
   University of Wisconsin 
   1101 University Ave. 
   Madison, WI  53706-1396  USA 
;
_publ_contact_author_email       west@chem.wisc.edu
_publ_contact_author_fax         1(608)2620381
_publ_contact_author_phone       1(608)2621873
_publ_section_title
;
 Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and
 an Organosilicon Diradical Dianion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              49
_journal_page_last               57
_journal_paper_doi               10.1021/ja011821m
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         '2K+ 2(C12 H8 Si)2- 4(C4 H8 O)'
_chemical_formula_sum            'C40 H48 K2 O4 Si2'
_chemical_formula_weight         727.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 112.597(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4065(13)
_cell_length_b                   23.313(2)
_cell_length_c                   12.3328(11)
_cell_measurement_reflns_used    6376
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.32
_cell_volume                     3824.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'ω scan frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0932
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17441
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        0.08
_diffrn_standards_number         312
_exptl_absorpt_coefficient_mu    0.349
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_description       needle
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8585
_refine_ls_number_restraints     274
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0764P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1557
_reflns_number_gt                4833
_reflns_number_total             8585
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja011821m_5.cif
_cod_data_source_block           n99054a
_cod_database_code               4114566
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
K1 K 0.50844(5) 0.71037(3) 0.45587(6) 0.0394(2) Uani 1 1 d . . .
K2 K 0.23328(6) 0.84551(3) -0.06082(5) 0.0415(2) Uani 1 1 d . . .
Si1 Si 0.42933(7) 0.82193(4) 0.20762(6) 0.0307(2) Uani 1 1 d . . .
C1 C 0.5238(2) 0.86086(12) 0.3390(2) 0.0298(7) Uani 1 1 d . . .
C2 C 0.5168(3) 0.91339(13) 0.3908(2) 0.0378(8) Uani 1 1 d . E .
H2 H 0.4540 0.9327 0.3650 0.045 Uiso 1 1 calc R . .
C3 C 0.5988(3) 0.93767(14) 0.4780(3) 0.0427(9) Uani 1 1 d . . .
H3 H 0.5913 0.9730 0.5124 0.051 Uiso 1 1 calc R E .
C4 C 0.6919(3) 0.91122(15) 0.5162(3) 0.0451(9) Uani 1 1 d . E .
H4 H 0.7484 0.9288 0.5749 0.054 Uiso 1 1 calc R . .
C5 C 0.7022(3) 0.85905(14) 0.4685(2) 0.0391(8) Uani 1 1 d . . .
H5 H 0.7658 0.8405 0.4958 0.047 Uiso 1 1 calc R E .
C6 C 0.6198(2) 0.83338(13) 0.3805(2) 0.0293(7) Uani 1 1 d . E .
C7 C 0.6211(2) 0.77886(12) 0.3205(2) 0.0311(7) Uani 1 1 d . . .
C8 C 0.7053(3) 0.74346(14) 0.3433(3) 0.0410(8) Uani 1 1 d . E .
H8 H 0.7682 0.7541 0.4018 0.049 Uiso 1 1 calc R . .
C9 C 0.6970(3) 0.69366(16) 0.2816(3) 0.0535(10) Uani 1 1 d . . .
H9 H 0.7541 0.6696 0.2984 0.064 Uiso 1 1 calc R E .
C10 C 0.6060(3) 0.67806(15) 0.1947(3) 0.0522(10) Uani 1 1 d . E .
H10 H 0.6010 0.6437 0.1515 0.063 Uiso 1 1 calc R . .
C11 C 0.5225(3) 0.71269(14) 0.1711(3) 0.0402(8) Uani 1 1 d . . .
H11 H 0.4604 0.7014 0.1117 0.048 Uiso 1 1 calc R E .
C12 C 0.5269(2) 0.76369(12) 0.2320(2) 0.0299(7) Uani 1 1 d . . .
Si2 Si 0.30273(7) 0.78187(4) 0.27009(7) 0.0312(2) Uani 1 1 d . . .
C13 C 0.2368(2) 0.84689(12) 0.2972(2) 0.0323(7) Uani 1 1 d . E .
C14 C 0.2655(3) 0.88515(13) 0.3926(2) 0.0380(8) Uani 1 1 d . . .
H14 H 0.3307 0.8818 0.4526 0.046 Uiso 1 1 calc R E .
C15 C 0.2020(3) 0.92723(14) 0.4019(3) 0.0513(10) Uani 1 1 d . E .
H15 H 0.2240 0.9528 0.4668 0.062 Uiso 1 1 calc R . .
C16 C 0.1055(3) 0.93217(16) 0.3158(3) 0.0562(11) Uani 1 1 d . . .
H16 H 0.0615 0.9609 0.3229 0.067 Uiso 1 1 calc R E .
C17 C 0.0735(3) 0.89597(14) 0.2211(3) 0.0453(9) Uani 1 1 d . E .
H17 H 0.0074 0.8997 0.1630 0.054 Uiso 1 1 calc R . .
C18 C 0.1378(2) 0.85358(13) 0.2098(2) 0.0328(7) Uani 1 1 d . . .
C19 C 0.1125(2) 0.81233(13) 0.1129(2) 0.0331(7) Uani 1 1 d . E .
C20 C 0.0230(3) 0.81062(15) 0.0135(3) 0.0441(9) Uani 1 1 d . . .
H20 H -0.0298 0.8365 0.0070 0.053 Uiso 1 1 calc R E .
C21 C 0.0107(3) 0.77161(18) -0.0752(3) 0.0549(10) Uani 1 1 d . E .
H21 H -0.0505 0.7708 -0.1423 0.066 Uiso 1 1 calc R . .
C22 C 0.0860(3) 0.73416(17) -0.0672(3) 0.0517(10) Uani 1 1 d . E .
H22 H 0.0776 0.7081 -0.1296 0.062 Uiso 1 1 calc R . .
C23 C 0.1755(3) 0.73402(14) 0.0324(3) 0.0407(8) Uani 1 1 d . E .
H23 H 0.2265 0.7070 0.0378 0.049 Uiso 1 1 calc R . .
C24 C 0.1915(2) 0.77314(13) 0.1251(2) 0.0333(7) Uani 1 1 d . E .
O1S O 0.37466(18) 0.61455(9) 0.35426(16) 0.0457(6) Uani 1 1 d D . .
C2S C 0.4089(3) 0.55849(14) 0.3977(3) 0.0589(13) Uani 0.526(6) 1 d PD A 1
H2S1 H 0.3519 0.5321 0.3851 0.071 Uiso 0.526(6) 1 calc PR A 1
H2S2 H 0.4525 0.5594 0.4824 0.071 Uiso 0.526(6) 1 calc PR A 1
C3S C 0.4677(5) 0.5415(4) 0.3240(5) 0.051(3) Uani 0.526(6) 1 d PD A 1
H3S1 H 0.5364 0.5578 0.3568 0.062 Uiso 0.526(6) 1 calc PR A 1
H3S2 H 0.4725 0.4992 0.3199 0.062 Uiso 0.526(6) 1 calc PR A 1
C4S C 0.4086(4) 0.56609(18) 0.2060(3) 0.089(2) Uani 0.474(6) 1 d PD A 1
H4S1 H 0.3639 0.5368 0.1534 0.107 Uiso 0.474(6) 1 calc PR A 1
H4S2 H 0.4537 0.5814 0.1692 0.107 Uiso 0.474(6) 1 calc PR A 1
C2S' C 0.4089(3) 0.55849(14) 0.3977(3) 0.0589(13) Uani 0.47 1 d PD A 2
H2S3 H 0.3599 0.5398 0.4247 0.071 Uiso 0.474(6) 1 calc PR A 2
H2S4 H 0.4742 0.5611 0.4653 0.071 Uiso 0.474(6) 1 calc PR A 2
C3S' C 0.4208(11) 0.5233(3) 0.3003(7) 0.073(4) Uani 0.474(6) 1 d PD A 2
H3S3 H 0.4879 0.5050 0.3274 0.088 Uiso 0.474(6) 1 calc PR A 2
H3S4 H 0.3685 0.4931 0.2724 0.088 Uiso 0.474(6) 1 calc PR A 2
C4S' C 0.4086(4) 0.56609(18) 0.2060(3) 0.089(2) Uani 0.47 1 d PD A 2
H4S3 H 0.3722 0.5492 0.1273 0.107 Uiso 0.474(6) 1 calc PR A 2
H4S4 H 0.4748 0.5803 0.2106 0.107 Uiso 0.474(6) 1 calc PR A 2
C5S C 0.3485(3) 0.61347(15) 0.2304(2) 0.0633(12) Uani 1 1 d D A .
H5S1 H 0.3646 0.6507 0.2032 0.076 Uiso 1 1 calc R B 1
H5S2 H 0.2756 0.6061 0.1890 0.076 Uiso 1 1 calc R B 1
O1T O 0.67685(18) 0.64940(11) 0.5690(2) 0.0588(7) Uani 1 1 d D . .
C2T C 0.7738(3) 0.67507(18) 0.6170(3) 0.0649(12) Uani 1 1 d D A .
H2T1 H 0.7680 0.7171 0.6241 0.078 Uiso 1 1 calc R . .
H2T2 H 0.8114 0.6675 0.5660 0.078 Uiso 1 1 calc R . .
C3T C 0.8271(3) 0.64834(16) 0.7365(3) 0.0621(12) Uani 1 1 d D . .
H3T1 H 0.9007 0.6469 0.7579 0.075 Uiso 1 1 calc R A .
H3T2 H 0.8128 0.6695 0.7980 0.075 Uiso 1 1 calc R . .
C4T C 0.7819(3) 0.58904(16) 0.7183(3) 0.0665(13) Uani 1 1 d D A .
H4T1 H 0.7852 0.5721 0.7934 0.080 Uiso 1 1 calc R . .
H4T2 H 0.8161 0.5632 0.6818 0.080 Uiso 1 1 calc R . .
C5T C 0.6738(3) 0.60036(14) 0.6359(3) 0.0576(11) Uani 1 1 d D A .
H5T1 H 0.6461 0.5670 0.5839 0.069 Uiso 1 1 calc R . .
H5T2 H 0.6312 0.6078 0.6812 0.069 Uiso 1 1 calc R . .
O1U O 0.21555(17) 0.95930(10) 0.01007(18) 0.0490(6) Uani 1 1 d D D .
C2U C 0.1264(2) 0.98732(15) 0.0061(3) 0.0492(9) Uani 1 1 d D . .
H2U1 H 0.0822 0.9600 0.0251 0.059 Uiso 1 1 calc R C 1
H2U2 H 0.0889 1.0033 -0.0731 0.059 Uiso 1 1 calc R C 1
C3U C 0.1598(3) 1.03483(17) 0.0965(3) 0.0683(17) Uani 0.554(10) 1 d PD D 1
H3U1 H 0.1308 1.0296 0.1567 0.082 Uiso 0.554(10) 1 calc PR D 1
H3U2 H 0.1390 1.0728 0.0588 0.082 Uiso 0.554(10) 1 calc PR D 1
C4U C 0.2733(4) 1.0299(4) 0.1505(9) 0.050(3) Uani 0.554(10) 1 d PD D 1
H4U1 H 0.3006 1.0392 0.2354 0.060 Uiso 0.554(10) 1 calc PR D 1
H4U2 H 0.3057 1.0546 0.1099 0.060 Uiso 0.554(10) 1 calc PR D 1
C5U C 0.2844(7) 0.9668(4) 0.1288(5) 0.036(2) Uani 0.554(10) 1 d PD D 1
H5U1 H 0.3540 0.9576 0.1377 0.043 Uiso 0.554(10) 1 calc PR D 1
H5U2 H 0.2658 0.9425 0.1831 0.043 Uiso 0.554(10) 1 calc PR D 1
C3U' C 0.1598(3) 1.03483(17) 0.0965(3) 0.0683(17) Uani 0.45 1 d PD D 2
H3U3 H 0.1119 1.0398 0.1357 0.082 Uiso 0.446(10) 1 calc PR D 2
H3U4 H 0.1664 1.0717 0.0601 0.082 Uiso 0.446(10) 1 calc PR D 2
C4U' C 0.2614(5) 1.0140(6) 0.1827(8) 0.048(3) Uani 0.446(10) 1 d PD D 2
H4U3 H 0.3062 1.0466 0.2203 0.058 Uiso 0.446(10) 1 calc PR D 2
H4U4 H 0.2539 0.9895 0.2444 0.058 Uiso 0.446(10) 1 calc PR D 2
C5U' C 0.3018(7) 0.9797(8) 0.1057(9) 0.065(5) Uani 0.446(10) 1 d PD D 2
H5U3 H 0.3434 1.0043 0.0768 0.078 Uiso 0.446(10) 1 calc PR D 2
H5U4 H 0.3433 0.9472 0.1502 0.078 Uiso 0.446(10) 1 calc PR D 2
O1V O 0.0861(5) 0.8772(2) -0.2570(5) 0.0760(16) Uani 0.595(6) 1 d PDU E 1
C2V C 0.0395(7) 0.9319(2) -0.2874(5) 0.0859(18) Uani 0.595(6) 1 d PDU E 1
H2V1 H 0.0902 0.9629 -0.2592 0.103 Uiso 0.595(6) 1 calc PR E 1
H2V2 H -0.0112 0.9374 -0.2523 0.103 Uiso 0.595(6) 1 calc PR E 1
C3V C -0.0097(7) 0.9324(2) -0.4193(5) 0.0769(18) Uani 0.595(6) 1 d PDU E 1
H3V1 H 0.0259 0.9588 -0.4532 0.092 Uiso 0.595(6) 1 calc PR E 1
H3V2 H -0.0809 0.9446 -0.4457 0.092 Uiso 0.595(6) 1 calc PR E 1
C4V C -0.0022(7) 0.8712(3) -0.4551(5) 0.0750(17) Uani 0.595(6) 1 d PDU E 1
H4V1 H -0.0670 0.8581 -0.5148 0.090 Uiso 0.595(6) 1 calc PR E 1
H4V2 H 0.0508 0.8674 -0.4873 0.090 Uiso 0.595(6) 1 calc PR E 1
C5V C 0.0245(6) 0.8375(2) -0.3432(5) 0.0691(17) Uani 0.595(6) 1 d PDU E 1
H5V1 H -0.0363 0.8271 -0.3286 0.083 Uiso 0.595(6) 1 calc PR E 1
H5V2 H 0.0621 0.8022 -0.3448 0.083 Uiso 0.595(6) 1 calc PR E 1
O1V' O 0.0701(8) 0.8853(4) -0.2416(6) 0.0749(18) Uani 0.405(6) 1 d PDU E 2
C2V' C 0.1022(9) 0.9350(4) -0.2842(7) 0.079(2) Uani 0.405(6) 1 d PDU E 2
H2V3 H 0.1764 0.9384 -0.2479 0.094 Uiso 0.405(6) 1 calc PR E 2
H2V4 H 0.0723 0.9699 -0.2650 0.094 Uiso 0.405(6) 1 calc PR E 2
C3V' C 0.0678(9) 0.9282(5) -0.4149(6) 0.081(2) Uani 0.405(6) 1 d PDU E 2
H3V3 H 0.1194 0.9087 -0.4362 0.097 Uiso 0.405(6) 1 calc PR E 2
H3V4 H 0.0519 0.9658 -0.4550 0.097 Uiso 0.405(6) 1 calc PR E 2
C4V' C -0.0261(8) 0.8915(5) -0.4458(7) 0.078(2) Uani 0.405(6) 1 d PDU E 2
H4V3 H -0.0869 0.9157 -0.4667 0.094 Uiso 0.405(6) 1 calc PR E 2
H4V4 H -0.0339 0.8656 -0.5124 0.094 Uiso 0.405(6) 1 calc PR E 2
C5V' C -0.0081(8) 0.8579(5) -0.3355(8) 0.0780(19) Uani 0.405(6) 1 d PDU E 2
H5V3 H -0.0703 0.8567 -0.3192 0.094 Uiso 0.405(6) 1 calc PR E 2
H5V4 H 0.0114 0.8181 -0.3446 0.094 Uiso 0.405(6) 1 calc PR E 2
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
O1T K1 O1S 97.70(7) . .
O1T K1 C12 107.56(8) . .
O1S K1 C12 101.08(7) . .
O1T K1 C11 96.35(9) . 4_576
O1S K1 C11 128.33(8) . 4_576
C12 K1 C11 121.20(8) . 4_576
O1T K1 C7 89.84(8) . .
O1S K1 C7 123.35(7) . .
C12 K1 C7 26.06(7) . .
C11 K1 C7 106.10(9) 4_576 .
O1T K1 C12 82.27(8) . 4_576
O1S K1 C12 110.86(7) . 4_576
C12 K1 C12 145.10(4) . 4_576
C11 K1 C12 24.43(7) 4_576 4_576
C7 K1 C12 125.78(8) . 4_576
O1T K1 Si2 170.07(6) . .
O1S K1 Si2 79.88(5) . .
C12 K1 Si2 63.83(6) . .
C11 K1 Si2 92.63(7) 4_576 .
C7 K1 Si2 83.59(6) . .
C12 K1 Si2 107.62(6) 4_576 .
O1T K1 Si1 88.00(6) . 4_576
O1S K1 Si1 80.86(5) . 4_576
C12 K1 Si1 163.75(6) . 4_576
C11 K1 Si1 50.27(6) 4_576 4_576
C7 K1 Si1 155.75(6) . 4_576
C12 K1 Si1 30.08(5) 4_576 4_576
Si2 K1 Si1 101.04(3) . 4_576
O1T K1 Si1 134.64(6) . .
O1S K1 Si1 103.45(4) . .
C12 K1 Si1 29.31(6) . .
C11 K1 Si1 100.94(6) 4_576 .
C7 K1 Si1 45.13(6) . .
C12 K1 Si1 124.64(5) 4_576 .
Si2 K1 Si1 38.48(2) . .
Si1 K1 Si1 134.45(3) 4_576 .
O1T K1 K2 121.28(6) . 4_576
O1S K1 K2 42.70(5) . 4_576
C12 K1 K2 119.32(6) . 4_576
C11 K1 K2 88.34(7) 4_576 4_576
C7 K1 K2 144.47(6) . 4_576
C12 K1 K2 78.86(6) 4_576 4_576
Si2 K1 K2 63.08(2) . 4_576
Si1 K1 K2 52.121(18) 4_576 4_576
Si1 K1 K2 100.95(2) . 4_576
O1V K2 O1V' 8.4(3) . .
O1V K2 O1S 90.44(19) . 4_575
O1V' K2 O1S 96.0(2) . 4_575
O1V K2 O1U 83.41(13) . .
O1V' K2 O1U 77.3(2) . .
O1S K2 O1U 88.20(7) 4_575 .
O1V K2 C23 109.93(17) . .
O1V' K2 C23 108.8(2) . .
O1S K2 C23 139.78(8) 4_575 .
O1U K2 C23 127.20(8) . .
O1V K2 C24 121.13(19) . .
O1V' K2 C24 116.3(2) . .
O1S K2 C24 147.36(8) 4_575 .
O1U K2 C24 102.47(8) . .
C23 K2 C24 26.43(8) . .
O1V K2 C19 102.76(19) . .
O1V' K2 C19 96.1(2) . .
O1S K2 C19 163.47(7) 4_575 .
O1U K2 C19 83.55(8) . .
C23 K2 C19 44.06(8) . .
C24 K2 C19 25.24(7) . .
O1V K2 C22 85.19(17) . .
O1V' K2 C22 84.5(2) . .
O1S K2 C22 143.34(8) 4_575 .
O1U K2 C22 127.16(9) . .
C23 K2 C22 24.76(8) . .
C24 K2 C22 44.61(8) . .
C19 K2 C22 49.40(8) . .
O1V K2 C2V' 23.4(2) . .
O1V' K2 C2V' 23.70(15) . .
O1S K2 C2V' 75.4(2) 4_575 .
O1U K2 C2V' 65.61(15) . .
C23 K2 C2V' 132.49(17) . .
C24 K2 C2V' 137.1(2) . .
C19 K2 C2V' 113.6(2) . .
C22 K2 C2V' 108.00(16) . .
O1V K2 Si1 172.78(13) . .
O1V' K2 Si1 166.0(2) . .
O1S K2 Si1 88.11(5) 4_575 .
O1U K2 Si1 89.47(5) . .
C23 K2 Si1 75.43(6) . .
C24 K2 Si1 61.62(6) . .
C19 K2 Si1 77.55(5) . .
C22 K2 Si1 100.16(6) . .
C2V' K2 Si1 150.07(12) . .
O1V K2 K1 123.76(18) . 4_575
O1V' K2 K1 131.8(2) . 4_575
O1S K2 K1 44.97(5) 4_575 4_575
O1U K2 K1 118.78(5) . 4_575
C23 K2 K1 96.19(7) . 4_575
C24 K2 K1 104.47(6) . 4_575
C19 K2 K1 128.90(6) . 4_575
C22 K2 K1 110.34(8) . 4_575
C2V' K2 K1 117.5(2) . 4_575
Si1 K2 K1 59.04(2) . 4_575
C12 Si1 C1 87.82(13) . .
C12 Si1 Si2 106.04(10) . .
C1 Si1 Si2 107.07(10) . .
C12 Si1 K2 123.19(9) . .
C1 Si1 K2 142.34(9) . .
Si2 Si1 K2 85.89(3) . .
C12 Si1 K1 63.07(9) . 4_575
C1 Si1 K1 116.94(10) . 4_575
Si2 Si1 K1 133.41(4) . 4_575
K2 Si1 K1 68.84(2) . 4_575
C12 Si1 K1 54.04(9) . .
C1 Si1 K1 75.39(9) . .
Si2 Si1 K1 60.97(3) . .
K2 Si1 K1 138.66(3) . .
K1 Si1 K1 115.47(3) 4_575 .
C2 C1 C6 117.2(3) . .
C2 C1 Si1 130.7(2) . .
C6 C1 Si1 111.7(2) . .
C3 C2 C1 121.6(3) . .
C2 C3 C4 120.7(3) . .
C5 C4 C3 119.7(3) . .
C4 C5 C6 120.6(3) . .
C5 C6 C1 120.2(3) . .
C5 C6 C7 126.0(3) . .
C1 C6 C7 113.8(2) . .
C8 C7 C12 120.3(3) . .
C8 C7 C6 125.7(3) . .
C12 C7 C6 114.0(3) . .
C8 C7 K1 100.16(18) . .
C12 C7 K1 75.40(17) . .
C6 C7 K1 93.56(18) . .
C9 C8 C7 120.3(3) . .
C8 C9 C10 120.5(3) . .
C11 C10 C9 119.8(3) . .
C10 C11 C12 121.9(3) . .
C10 C11 K1 106.2(2) . 4_575
C12 C11 K1 86.76(18) . 4_575
C11 C12 C7 117.2(3) . .
C11 C12 Si1 130.4(2) . .
C7 C12 Si1 112.0(2) . .
C11 C12 K1 97.76(19) . .
C7 C12 K1 78.54(16) . .
Si1 C12 K1 96.65(11) . .
C11 C12 K1 68.81(16) . 4_575
C7 C12 K1 114.4(2) . 4_575
Si1 C12 K1 86.85(9) . 4_575
K1 C12 K1 164.30(10) . 4_575
C13 Si2 C24 87.27(13) . .
C13 Si2 Si1 103.80(10) . .
C24 Si2 Si1 102.00(11) . .
C13 Si2 K1 129.94(9) . .
C24 Si2 K1 141.52(10) . .
Si1 Si2 K1 80.55(3) . .
C14 C13 C18 116.7(3) . .
C14 C13 Si2 130.7(2) . .
C18 C13 Si2 112.3(2) . .
C15 C14 C13 122.1(3) . .
C14 C15 C16 119.8(3) . .
C17 C16 C15 120.6(3) . .
C16 C17 C18 120.1(3) . .
C17 C18 C13 120.7(3) . .
C17 C18 C19 125.3(3) . .
C13 C18 C19 114.0(3) . .
C20 C19 C24 120.4(3) . .
C20 C19 C18 126.2(3) . .
C24 C19 C18 113.4(3) . .
C20 C19 K2 88.7(2) . .
C24 C19 K2 67.82(17) . .
C18 C19 K2 110.16(19) . .
C21 C20 C19 120.5(3) . .
C22 C21 C20 120.5(3) . .
C21 C22 C23 120.2(3) . .
C21 C22 K2 89.1(2) . .
C23 C22 K2 67.5(2) . .
C22 C23 C24 121.3(3) . .
C22 C23 K2 87.7(2) . .
C24 C23 K2 76.91(19) . .
C23 C24 C19 117.1(3) . .
C23 C24 Si2 130.4(3) . .
C19 C24 Si2 112.5(2) . .
C23 C24 K2 76.65(19) . .
C19 C24 K2 86.95(18) . .
Si2 C24 K2 107.81(13) . .
C5S O1S C2S 107.3(2) . .
C5S O1S K2 118.6(2) . 4_576
C2S O1S K2 111.3(2) . 4_576
C5S O1S K1 109.6(2) . .
C2S O1S K1 117.8(2) . .
K2 O1S K1 92.32(6) 4_576 .
O1S C2S C3S 101.9(4) . .
C4S C3S C2S 104.2(4) . .
C3S C4S C5S 104.1(4) . .
O1S C5S C4S 107.0(3) . .
C5T O1T C2T 110.0(3) . .
C5T O1T K1 120.2(2) . .
C2T O1T K1 122.6(2) . .
O1T C2T C3T 106.4(3) . .
C4T C3T C2T 101.8(3) . .
C3T C4T C5T 102.3(3) . .
O1T C5T C4T 106.0(3) . .
C2U O1U C5U' 111.2(6) . .
C2U O1U C5U 103.9(5) . .
C5U' O1U C5U 21.7(7) . .
C2U O1U K2 127.23(19) . .
C5U' O1U K2 114.5(7) . .
C5U O1U K2 108.7(4) . .
O1U C2U C3U 106.4(3) . .
C2U C3U C4U 104.7(5) . .
C3U C4U C5U 99.5(7) . .
O1U C5U C4U 102.8(6) . .
O1U C5U' C4U' 105.8(9) . .
C2V O1V C5V 106.7(4) . .
C2V O1V K2 128.6(4) . .
C5V O1V K2 123.5(4) . .
O1V C2V C3V 105.7(4) . .
C2V C3V C4V 104.6(3) . .
C5V C4V C3V 104.3(3) . .
O1V C5V C4V 102.2(4) . .
C5V' O1V' C2V' 109.6(3) . .
C5V' O1V' K2 133.1(6) . .
C2V' O1V' K2 106.3(6) . .
O1V' C2V' C3V' 106.9(3) . .
O1V' C2V' K2 50.0(5) . .
C3V' C2V' K2 131.2(7) . .
C2V' C3V' C4V' 103.0(3) . .
C5V' C4V' C3V' 103.8(3) . .
O1V' C5V' C4V' 108.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1T 2.693(2) .
K1 O1S 2.902(2) .
K1 C12 3.130(3) .
K1 C11 3.145(3) 4_576
K1 C7 3.170(3) .
K1 C12 3.368(3) 4_576
K1 Si2 3.4047(11) .
K1 Si1 3.7716(11) 4_576
K1 Si1 3.8412(10) .
K1 K2 4.1020(12) 4_576
K2 O1V 2.637(5) .
K2 O1V' 2.708(8) .
K2 O1S 2.784(3) 4_575
K2 O1U 2.835(2) .
K2 C23 3.083(3) .
K2 C24 3.086(3) .
K2 C19 3.328(3) .
K2 C22 3.334(4) .
K2 C2V' 3.392(10) .
K2 Si1 3.4718(10) .
K2 K1 4.1020(12) 4_575
Si1 C12 1.893(3) .
Si1 C1 1.899(3) .
Si1 Si2 2.4232(13) .
Si1 K1 3.7716(11) 4_575
C1 C2 1.403(4) .
C1 C6 1.427(4) .
C2 C3 1.377(4) .
C3 C4 1.384(5) .
C4 C5 1.384(5) .
C5 C6 1.398(4) .
C6 C7 1.475(4) .
C7 C8 1.403(4) .
C7 C12 1.421(4) .
C8 C9 1.368(5) .
C9 C10 1.385(5) .
C10 C11 1.384(5) .
C11 C12 1.395(4) .
C11 K1 3.145(3) 4_575
C12 K1 3.368(3) 4_575
Si2 C13 1.886(3) .
Si2 C24 1.899(3) .
C13 C14 1.407(4) .
C13 C18 1.427(4) .
C14 C15 1.375(5) .
C15 C16 1.393(5) .
C16 C17 1.369(5) .
C17 C18 1.398(4) .
C18 C19 1.467(4) .
C19 C20 1.397(4) .
C19 C24 1.421(4) .
C20 C21 1.381(5) .
C21 C22 1.367(5) .
C22 C23 1.397(4) .
C23 C24 1.411(4) .
O1S C5S 1.426(3) .
O1S C2S 1.427(3) .
O1S K2 2.784(3) 4_576
C2S C3S 1.514(5) .
C3S C4S 1.491(5) .
C4S C5S 1.505(4) .
O1T C5T 1.421(3) .
O1T C2T 1.423(3) .
C2T C3T 1.511(4) .
C3T C4T 1.508(4) .
C4T C5T 1.520(4) .
O1U C2U 1.426(3) .
O1U C5U' 1.427(4) .
O1U C5U 1.429(4) .
C2U C3U 1.513(4) .
C3U C4U 1.514(5) .
C4U C5U 1.516(5) .
C4U' C5U' 1.517(5) .
O1V C2V 1.425(4) .
O1V C5V 1.430(4) .
C2V C3V 1.504(4) .
C3V C4V 1.510(4) .
C4V C5V 1.504(4) .
O1V' C5V' 1.420(3) .
O1V' C2V' 1.421(4) .
C2V' C3V' 1.501(5) .
C3V' C4V' 1.519(5) .
C4V' C5V' 1.503(4) .
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_4
O1V K2 Si1 C12 -148.4(15) . .
O1V' K2 Si1 C12 -177.4(9) . .
O1S K2 Si1 C12 -69.88(13) 4_575 .
O1U K2 Si1 C12 -158.10(13) . .
C23 K2 Si1 C12 73.06(13) . .
C24 K2 Si1 C12 97.40(14) . .
C19 K2 Si1 C12 118.39(13) . .
C22 K2 Si1 C12 74.17(14) . .
C2V' K2 Si1 C12 -125.6(5) . .
K1 K2 Si1 C12 -33.55(12) 4_575 .
O1V K2 Si1 C1 -7.7(15) . .
O1V' K2 Si1 C1 -36.7(9) . .
O1S K2 Si1 C1 70.75(18) 4_575 .
O1U K2 Si1 C1 -17.47(18) . .
C23 K2 Si1 C1 -146.31(18) . .
C24 K2 Si1 C1 -121.97(18) . .
C19 K2 Si1 C1 -100.98(18) . .
C22 K2 Si1 C1 -145.20(18) . .
C2V' K2 Si1 C1 15.0(5) . .
K1 K2 Si1 C1 107.08(17) 4_575 .
O1V K2 Si1 Si2 105.1(15) . .
O1V' K2 Si1 Si2 76.1(9) . .
O1S K2 Si1 Si2 -176.38(5) 4_575 .
O1U K2 Si1 Si2 95.40(6) . .
C23 K2 Si1 Si2 -33.44(7) . .
C24 K2 Si1 Si2 -9.10(7) . .
C19 K2 Si1 Si2 11.89(6) . .
C22 K2 Si1 Si2 -32.33(8) . .
C2V' K2 Si1 Si2 127.9(4) . .
K1 K2 Si1 Si2 -140.05(3) 4_575 .
O1V K2 Si1 K1 -114.8(15) . 4_575
O1V' K2 Si1 K1 -143.8(9) . 4_575
O1S K2 Si1 K1 -36.33(5) 4_575 4_575
O1U K2 Si1 K1 -124.55(6) . 4_575
C23 K2 Si1 K1 106.61(7) . 4_575
C24 K2 Si1 K1 130.95(7) . 4_575
C19 K2 Si1 K1 151.94(6) . 4_575
C22 K2 Si1 K1 107.72(7) . 4_575
C2V' K2 Si1 K1 -92.1(4) . 4_575
O1V K2 Si1 K1 140.2(15) . .
O1V' K2 Si1 K1 111.2(9) . .
O1S K2 Si1 K1 -141.29(6) 4_575 .
O1U K2 Si1 K1 130.49(7) . .
C23 K2 Si1 K1 1.65(8) . .
C24 K2 Si1 K1 25.99(8) . .
C19 K2 Si1 K1 46.98(7) . .
C22 K2 Si1 K1 2.76(9) . .
C2V' K2 Si1 K1 162.9(4) . .
K1 K2 Si1 K1 -104.96(4) 4_575 .
O1T K1 Si1 C12 26.75(14) . .
O1S K1 Si1 C12 -88.72(12) . .
C11 K1 Si1 C12 137.19(13) 4_576 .
C7 K1 Si1 C12 35.30(13) . .
C12 K1 Si1 C12 143.66(15) 4_576 .
Si2 K1 Si1 C12 -142.48(12) . .
Si1 K1 Si1 C12 -179.05(11) 4_576 .
K2 K1 Si1 C12 -132.38(11) 4_576 .
O1T K1 Si1 C1 -71.32(13) . .
O1S K1 Si1 C1 173.21(12) . .
C12 K1 Si1 C1 -98.07(15) . .
C11 K1 Si1 C1 39.12(13) 4_576 .
C7 K1 Si1 C1 -62.77(13) . .
C12 K1 Si1 C1 45.59(13) 4_576 .
Si2 K1 Si1 C1 119.45(11) . .
Si1 K1 Si1 C1 82.88(11) 4_576 .
K2 K1 Si1 C1 129.54(11) 4_576 .
O1T K1 Si1 Si2 169.23(9) . .
O1S K1 Si1 Si2 53.76(6) . .
C12 K1 Si1 Si2 142.48(12) . .
C11 K1 Si1 Si2 -80.33(8) 4_576 .
C7 K1 Si1 Si2 177.79(8) . .
C12 K1 Si1 Si2 -73.85(7) 4_576 .
Si1 K1 Si1 Si2 -36.57(4) 4_576 .
K2 K1 Si1 Si2 10.10(3) 4_576 .
O1T K1 Si1 K2 128.25(9) . .
O1S K1 Si1 K2 12.78(7) . .
C12 K1 Si1 K2 101.50(12) . .
C11 K1 Si1 K2 -121.31(8) 4_576 .
C7 K1 Si1 K2 136.80(9) . .
C12 K1 Si1 K2 -114.84(8) 4_576 .
Si2 K1 Si1 K2 -40.98(4) . .
Si1 K1 Si1 K2 -77.55(5) 4_576 .
K2 K1 Si1 K2 -30.89(5) 4_576 .
O1T K1 Si1 K1 41.91(9) . 4_575
O1S K1 Si1 K1 -73.55(6) . 4_575
C12 K1 Si1 K1 15.16(11) . 4_575
C11 K1 Si1 K1 152.36(7) 4_576 4_575
C7 K1 Si1 K1 50.47(8) . 4_575
C12 K1 Si1 K1 158.83(7) 4_576 4_575
Si2 K1 Si1 K1 -127.32(4) . 4_575
Si1 K1 Si1 K1 -163.89(3) 4_576 4_575
K2 K1 Si1 K1 -117.22(3) 4_576 4_575
C12 Si1 C1 C2 179.5(3) . .
Si2 Si1 C1 C2 -74.4(3) . .
K2 Si1 C1 C2 31.5(4) . .
K1 Si1 C1 C2 121.3(3) 4_575 .
K1 Si1 C1 C2 -127.2(3) . .
C12 Si1 C1 C6 6.9(2) . .
Si2 Si1 C1 C6 113.0(2) . .
K2 Si1 C1 C6 -141.01(17) . .
K1 Si1 C1 C6 -51.2(2) 4_575 .
K1 Si1 C1 C6 60.22(19) . .
C6 C1 C2 C3 0.0(4) . .
Si1 C1 C2 C3 -172.2(3) . .
C1 C2 C3 C4 1.1(5) . .
C2 C3 C4 C5 -1.8(5) . .
C3 C4 C5 C6 1.2(5) . .
C4 C5 C6 C1 0.0(5) . .
C4 C5 C6 C7 178.4(3) . .
C2 C1 C6 C5 -0.6(4) . .
Si1 C1 C6 C5 173.1(2) . .
C2 C1 C6 C7 -179.2(3) . .
Si1 C1 C6 C7 -5.5(3) . .
C5 C6 C7 C8 0.9(5) . .
C1 C6 C7 C8 179.4(3) . .
C5 C6 C7 C12 -178.3(3) . .
C1 C6 C7 C12 0.2(4) . .
C5 C6 C7 K1 106.1(3) . .
C1 C6 C7 K1 -75.4(2) . .
O1T K1 C7 C8 15.0(2) . .
O1S K1 C7 C8 -84.2(2) . .
C12 K1 C7 C8 -118.9(3) . .
C11 K1 C7 C8 111.5(2) 4_576 .
C12 K1 C7 C8 95.3(2) 4_576 .
Si2 K1 C7 C8 -157.6(2) . .
Si1 K1 C7 C8 99.7(2) 4_576 .
Si1 K1 C7 C8 -159.0(2) . .
K2 K1 C7 C8 -137.85(18) 4_576 .
O1T K1 C7 C12 133.84(18) . .
O1S K1 C7 C12 34.7(2) . .
C11 K1 C7 C12 -129.60(17) 4_576 .
C12 K1 C7 C12 -145.82(16) 4_576 .
Si2 K1 C7 C12 -38.70(17) . .
Si1 K1 C7 C12 -141.39(16) 4_576 .
Si1 K1 C7 C12 -40.09(15) . .
K2 K1 C7 C12 -19.0(2) 4_576 .
O1T K1 C7 C6 -112.24(17) . .
O1S K1 C7 C6 148.63(15) . .
C12 K1 C7 C6 113.9(3) . .
C11 K1 C7 C6 -15.68(18) 4_576 .
C12 K1 C7 C6 -31.9(2) 4_576 .
Si2 K1 C7 C6 75.22(16) . .
Si1 K1 C7 C6 -27.5(3) 4_576 .
Si1 K1 C7 C6 73.83(16) . .
K2 K1 C7 C6 94.94(17) 4_576 .
C12 C7 C8 C9 -0.9(5) . .
C6 C7 C8 C9 180.0(3) . .
K1 C7 C8 C9 78.1(3) . .
C7 C8 C9 C10 1.0(5) . .
C8 C9 C10 C11 -0.8(6) . .
C9 C10 C11 C12 0.4(5) . .
C9 C10 C11 K1 96.8(3) . 4_575
C10 C11 C12 C7 -0.3(5) . .
K1 C11 C12 C7 -107.4(2) 4_575 .
C10 C11 C12 Si1 173.0(3) . .
K1 C11 C12 Si1 65.9(3) 4_575 .
C10 C11 C12 K1 -81.3(3) . .
K1 C11 C12 K1 171.59(9) 4_575 .
C10 C11 C12 K1 107.1(3) . 4_575
C8 C7 C12 C11 0.5(4) . .
C6 C7 C12 C11 179.7(3) . .
K1 C7 C12 C11 -92.9(3) . .
C8 C7 C12 Si1 -174.0(2) . .
C6 C7 C12 Si1 5.2(3) . .
K1 C7 C12 Si1 92.61(16) . .
C8 C7 C12 K1 93.4(3) . .
C6 C7 C12 K1 -87.4(2) . .
C8 C7 C12 K1 -77.2(3) . 4_575
C6 C7 C12 K1 102.0(2) . 4_575
K1 C7 C12 K1 -170.60(14) . 4_575
C1 Si1 C12 C11 179.6(3) . .
Si2 Si1 C12 C11 72.5(3) . .
K2 Si1 C12 C11 -23.2(3) . .
K1 Si1 C12 C11 -58.5(3) 4_575 .
K1 Si1 C12 C11 106.1(3) . .
C1 Si1 C12 C7 -6.8(2) . .
Si2 Si1 C12 C7 -113.9(2) . .
K2 Si1 C12 C7 150.38(17) . .
K1 Si1 C12 C7 115.1(2) 4_575 .
K1 Si1 C12 C7 -80.3(2) . .
C1 Si1 C12 K1 73.49(11) . .
Si2 Si1 C12 K1 -33.65(9) . .
K2 Si1 C12 K1 -129.33(6) . .
K1 Si1 C12 K1 -164.64(11) 4_575 .
C1 Si1 C12 K1 -121.87(10) . 4_575
Si2 Si1 C12 K1 130.99(5) . 4_575
K2 Si1 C12 K1 35.31(11) . 4_575
K1 Si1 C12 K1 164.64(11) . 4_575
O1T K1 C12 C11 67.2(2) . .
O1S K1 C12 C11 -34.7(2) . .
C11 K1 C12 C11 176.3(3) 4_576 .
C7 K1 C12 C11 116.3(3) . .
C12 K1 C12 C11 169.14(16) 4_576 .
Si2 K1 C12 C11 -107.5(2) . .
Si1 K1 C12 C11 -130.0(2) 4_576 .
Si1 K1 C12 C11 -132.4(3) . .
K2 K1 C12 C11 -76.2(2) 4_576 .
O1T K1 C12 C7 -49.16(19) . .
O1S K1 C12 C7 -151.01(17) . .
C11 K1 C12 C7 59.9(2) 4_576 .
C12 K1 C12 C7 52.8(3) 4_576 .
Si2 K1 C12 C7 136.19(18) . .
Si1 K1 C12 C7 113.6(2) 4_576 .
Si1 K1 C12 C7 111.2(2) . .
K2 K1 C12 C7 167.48(15) 4_576 .
O1T K1 C12 Si1 -160.37(10) . .
O1S K1 C12 Si1 97.78(11) . .
C11 K1 C12 Si1 -51.26(14) 4_576 .
C7 K1 C12 Si1 -111.2(2) . .
C12 K1 C12 Si1 -58.4(2) 4_576 .
Si2 K1 C12 Si1 24.98(8) . .
Si1 K1 C12 Si1 2.4(3) 4_576 .
K2 K1 C12 Si1 56.27(12) 4_576 .
O1T K1 C12 K1 97.5(4) . 4_575
O1S K1 C12 K1 -4.4(4) . 4_575
C11 K1 C12 K1 -153.4(4) 4_576 4_575
C7 K1 C12 K1 146.6(5) . 4_575
C12 K1 C12 K1 -160.6(3) 4_576 4_575
Si2 K1 C12 K1 -77.2(4) . 4_575
Si1 K1 C12 K1 -99.7(4) 4_576 4_575
Si1 K1 C12 K1 -102.2(4) . 4_575
K2 K1 C12 K1 -45.9(4) 4_576 4_575
C12 Si1 Si2 C13 159.85(12) . .
C1 Si1 Si2 C13 67.17(13) . .
K2 Si1 Si2 C13 -76.75(9) . .
K1 Si1 Si2 C13 -132.27(10) 4_575 .
K1 Si1 Si2 C13 129.00(9) . .
C12 Si1 Si2 C24 -110.03(13) . .
C1 Si1 Si2 C24 157.29(14) . .
K2 Si1 Si2 C24 13.37(10) . .
K1 Si1 Si2 C24 -42.15(11) 4_575 .
K1 Si1 Si2 C24 -140.89(10) . .
C12 Si1 Si2 K1 30.86(9) . .
C1 Si1 Si2 K1 -61.82(10) . .
K2 Si1 Si2 K1 154.26(3) . .
K1 Si1 Si2 K1 98.73(4) 4_575 .
O1T K1 Si2 C13 -150.6(4) . .
O1S K1 Si2 C13 132.69(14) . .
C12 K1 Si2 C13 -119.54(15) . .
C11 K1 Si2 C13 4.19(15) 4_576 .
C7 K1 Si2 C13 -101.72(14) . .
C12 K1 Si2 C13 23.85(15) 4_576 .
Si1 K1 Si2 C13 54.19(14) 4_576 .
Si1 K1 Si2 C13 -100.14(14) . .
K2 K1 Si2 C13 90.99(13) 4_576 .
O1T K1 Si2 C24 47.0(4) . .
O1S K1 Si2 C24 -29.75(18) . .
C12 K1 Si2 C24 78.02(18) . .
C11 K1 Si2 C24 -158.24(18) 4_576 .
C7 K1 Si2 C24 95.85(18) . .
C12 K1 Si2 C24 -138.58(18) 4_576 .
Si1 K1 Si2 C24 -108.25(17) 4_576 .
Si1 K1 Si2 C24 97.43(17) . .
K2 K1 Si2 C24 -71.45(17) 4_576 .
O1T K1 Si2 Si1 -50.4(4) . .
O1S K1 Si2 Si1 -127.17(5) . .
C12 K1 Si2 Si1 -19.40(6) . .
C11 K1 Si2 Si1 104.33(7) 4_576 .
C7 K1 Si2 Si1 -1.58(6) . .
C12 K1 Si2 Si1 123.99(6) 4_576 .
Si1 K1 Si2 Si1 154.32(3) 4_576 .
K2 K1 Si2 Si1 -168.87(3) 4_576 .
C24 Si2 C13 C14 180.0(3) . .
Si1 Si2 C13 C14 -78.3(3) . .
K1 Si2 C13 C14 10.8(4) . .
C24 Si2 C13 C18 6.7(2) . .
Si1 Si2 C13 C18 108.4(2) . .
K1 Si2 C13 C18 -162.49(17) . .
C18 C13 C14 C15 -0.3(5) . .
Si2 C13 C14 C15 -173.3(3) . .
C13 C14 C15 C16 1.1(5) . .
C14 C15 C16 C17 -0.8(6) . .
C15 C16 C17 C18 -0.1(5) . .
C16 C17 C18 C13 0.9(5) . .
C16 C17 C18 C19 -180.0(3) . .
C14 C13 C18 C17 -0.7(4) . .
Si2 C13 C18 C17 173.6(2) . .
C14 C13 C18 C19 -179.9(3) . .
Si2 C13 C18 C19 -5.6(3) . .
C17 C18 C19 C20 3.8(5) . .
C13 C18 C19 C20 -177.0(3) . .
C17 C18 C19 C24 -178.7(3) . .
C13 C18 C19 C24 0.5(4) . .
C17 C18 C19 K2 107.6(3) . .
C13 C18 C19 K2 -73.3(3) . .
O1V K2 C19 C20 15.9(2) . .
O1V' K2 C19 C20 21.2(3) . .
O1S K2 C19 C20 158.2(2) 4_575 .
O1U K2 C19 C20 97.7(2) . .
C23 K2 C19 C20 -89.6(2) . .
C24 K2 C19 C20 -123.8(3) . .
C22 K2 C19 C20 -56.2(2) . .
C2V' K2 C19 C20 37.9(3) . .
Si1 K2 C19 C20 -171.5(2) . .
K1 K2 C19 C20 -140.23(18) 4_575 .
O1V K2 C19 C24 139.7(2) . .
O1V' K2 C19 C24 145.0(3) . .
O1S K2 C19 C24 -78.0(3) 4_575 .
O1U K2 C19 C24 -138.56(17) . .
C23 K2 C19 C24 34.14(17) . .
C22 K2 C19 C24 67.61(18) . .
C2V' K2 C19 C24 161.6(2) . .
Si1 K2 C19 C24 -47.68(16) . .
K1 K2 C19 C24 -16.46(19) 4_575 .
O1V K2 C19 C18 -112.4(2) . .
O1V' K2 C19 C18 -107.2(3) . .
O1S K2 C19 C18 29.8(4) 4_575 .
O1U K2 C19 C18 -30.69(19) . .
C23 K2 C19 C18 142.0(2) . .
C24 K2 C19 C18 107.9(3) . .
C22 K2 C19 C18 175.5(2) . .
C2V' K2 C19 C18 -90.5(2) . .
Si1 K2 C19 C18 60.19(19) . .
K1 K2 C19 C18 91.4(2) 4_575 .
C24 C19 C20 C21 -1.3(5) . .
C18 C19 C20 C21 176.1(3) . .
K2 C19 C20 C21 61.9(3) . .
C19 C20 C21 C22 -0.1(6) . .
C20 C21 C22 C23 1.6(6) . .
C20 C21 C22 K2 -61.6(4) . .
O1V K2 C22 C21 -54.2(3) . .
O1V' K2 C22 C21 -45.8(3) . .
O1S K2 C22 C21 -138.48(19) 4_575 .
O1U K2 C22 C21 23.8(2) . .
C23 K2 C22 C21 123.4(3) . .
C24 K2 C22 C21 91.3(2) . .
C19 K2 C22 C21 57.1(2) . .
C2V' K2 C22 C21 -48.9(3) . .
Si1 K2 C22 C21 120.9(2) . .
K1 K2 C22 C21 -178.53(18) 4_575 .
O1V K2 C22 C23 -177.7(3) . .
O1V' K2 C22 C23 -169.2(3) . .
O1S K2 C22 C23 98.1(2) 4_575 .
O1U K2 C22 C23 -99.7(2) . .
C24 K2 C22 C23 -32.2(2) . .
C19 K2 C22 C23 -66.3(2) . .
C2V' K2 C22 C23 -172.3(3) . .
Si1 K2 C22 C23 -2.6(2) . .
K1 K2 C22 C23 58.0(2) 4_575 .
C21 C22 C23 C24 -1.7(6) . .
K2 C22 C23 C24 73.2(3) . .
C21 C22 C23 K2 -74.9(4) . .
O1V K2 C23 C22 2.5(3) . .
O1V' K2 C23 C22 11.3(3) . .
O1S K2 C23 C22 -113.7(2) 4_575 .
O1U K2 C23 C22 99.5(2) . .
C24 K2 C23 C22 122.9(3) . .
C19 K2 C23 C22 90.4(2) . .
C2V' K2 C23 C22 9.9(4) . .
Si1 K2 C23 C22 177.4(2) . .
K1 K2 C23 C22 -126.9(2) 4_575 .
O1V K2 C23 C24 -120.4(2) . .
O1V' K2 C23 C24 -111.5(3) . .
O1S K2 C23 C24 123.41(19) 4_575 .
O1U K2 C23 C24 -23.4(2) . .
C19 K2 C23 C24 -32.51(17) . .
C22 K2 C23 C24 -122.9(3) . .
C2V' K2 C23 C24 -112.9(3) . .
Si1 K2 C23 C24 54.53(18) . .
K1 K2 C23 C24 110.27(19) 4_575 .
C22 C23 C24 C19 0.4(5) . .
K2 C23 C24 C19 79.5(3) . .
C22 C23 C24 Si2 178.7(3) . .
K2 C23 C24 Si2 -102.2(3) . .
C22 C23 C24 K2 -79.1(3) . .
C20 C19 C24 C23 1.1(5) . .
C18 C19 C24 C23 -176.6(3) . .
K2 C19 C24 C23 -73.3(3) . .
C20 C19 C24 Si2 -177.5(3) . .
C18 C19 C24 Si2 4.8(3) . .
K2 C19 C24 Si2 108.03(19) . .
C20 C19 C24 K2 74.5(3) . .
C18 C19 C24 K2 -103.2(2) . .
C13 Si2 C24 C23 175.2(3) . .
Si1 Si2 C24 C23 71.6(3) . .
K1 Si2 C24 C23 -18.2(4) . .
C13 Si2 C24 C19 -6.4(2) . .
Si1 Si2 C24 C19 -110.0(2) . .
K1 Si2 C24 C19 160.17(16) . .
C13 Si2 C24 K2 87.72(13) . .
Si1 Si2 C24 K2 -15.81(12) . .
K1 Si2 C24 K2 -105.67(14) . .
O1V K2 C24 C23 71.3(3) . .
O1V' K2 C24 C23 79.2(3) . .
O1S K2 C24 C23 -92.3(2) 4_575 .
O1U K2 C24 C23 161.11(19) . .
C19 K2 C24 C23 118.8(3) . .
C22 K2 C24 C23 30.06(19) . .
C2V' K2 C24 C23 93.6(3) . .
Si1 K2 C24 C23 -116.4(2) . .
K1 K2 C24 C23 -74.40(19) 4_575 .
O1V K2 C24 C19 -47.4(2) . .
O1V' K2 C24 C19 -39.5(3) . .
O1S K2 C24 C19 148.94(16) 4_575 .
O1U K2 C24 C19 42.34(18) . .
C23 K2 C24 C19 -118.8(3) . .
C22 K2 C24 C19 -88.7(2) . .
C2V' K2 C24 C19 -25.1(3) . .
Si1 K2 C24 C19 124.86(18) . .
K1 K2 C24 C19 166.84(16) 4_575 .
O1V K2 C24 Si2 -160.10(18) . .
O1V' K2 C24 Si2 -152.2(3) . .
O1S K2 C24 Si2 36.3(2) 4_575 .
O1U K2 C24 Si2 -70.31(14) . .
C23 K2 C24 Si2 128.6(3) . .
C19 K2 C24 Si2 -112.6(2) . .
C22 K2 C24 Si2 158.6(2) . .
C2V' K2 C24 Si2 -137.8(2) . .
Si1 K2 C24 Si2 12.21(9) . .
K1 K2 C24 Si2 54.19(13) 4_575 .
O1T K1 O1S C5S -109.8(2) . .
C12 K1 O1S C5S -0.1(2) . .
C11 K1 O1S C5S 145.8(2) 4_576 .
C7 K1 O1S C5S -14.9(2) . .
C12 K1 O1S C5S 165.6(2) 4_576 .
Si2 K1 O1S C5S 60.48(19) . .
Si1 K1 O1S C5S 163.5(2) 4_576 .
Si1 K1 O1S C5S 29.8(2) . .
K2 K1 O1S C5S 121.5(2) 4_576 .
O1T K1 O1S C2S 13.2(2) . .
C12 K1 O1S C2S 122.9(2) . .
C11 K1 O1S C2S -91.2(2) 4_576 .
C7 K1 O1S C2S 108.1(2) . .
C12 K1 O1S C2S -71.4(2) 4_576 .
Si2 K1 O1S C2S -176.6(2) . .
Si1 K1 O1S C2S -73.5(2) 4_576 .
Si1 K1 O1S C2S 152.8(2) . .
K2 K1 O1S C2S -115.6(2) 4_576 .
O1T K1 O1S K2 128.75(7) . 4_576
C12 K1 O1S K2 -121.56(7) . 4_576
C11 K1 O1S K2 24.32(11) 4_576 4_576
C7 K1 O1S K2 -136.33(8) . 4_576
C12 K1 O1S K2 44.13(8) 4_576 4_576
Si2 K1 O1S K2 -61.00(4) . 4_576
Si1 K1 O1S K2 42.05(4) 4_576 4_576
Si1 K1 O1S K2 -91.65(5) . 4_576
C5S O1S C2S C3S 38.6(5) . .
K2 O1S C2S C3S 169.8(4) 4_576 .
K1 O1S C2S C3S -85.5(4) . .
O1S C2S C3S C4S -37.2(7) . .
C2S C3S C4S C5S 22.2(8) . .
C2S O1S C5S C4S -25.1(4) . .
K2 O1S C5S C4S -152.1(3) 4_576 .
K1 O1S C5S C4S 103.8(3) . .
C3S C4S C5S O1S 0.6(6) . .
O1S K1 O1T C5T -45.5(2) . .
C12 K1 O1T C5T -149.8(2) . .
C11 K1 O1T C5T 84.6(2) 4_576 .
C7 K1 O1T C5T -169.2(2) . .
C12 K1 O1T C5T 64.6(2) 4_576 .
Si2 K1 O1T C5T -120.8(4) . .
Si1 K1 O1T C5T 35.0(2) 4_576 .
Si1 K1 O1T C5T -163.2(2) . .
K2 K1 O1T C5T -7.3(3) 4_576 .
O1S K1 O1T C2T 167.2(2) . .
C12 K1 O1T C2T 62.9(3) . .
C11 K1 O1T C2T -62.7(3) 4_576 .
C7 K1 O1T C2T 43.5(3) . .
C12 K1 O1T C2T -82.7(3) 4_576 .
Si2 K1 O1T C2T 92.0(4) . .
Si1 K1 O1T C2T -112.3(3) 4_576 .
Si1 K1 O1T C2T 49.6(3) . .
K2 K1 O1T C2T -154.6(2) 4_576 .
C5T O1T C2T C3T -13.3(4) . .
K1 O1T C2T C3T 136.9(3) . .
O1T C2T C3T C4T 31.1(4) . .
C2T C3T C4T C5T -36.0(4) . .
C2T O1T C5T C4T -10.3(4) . .
K1 O1T C5T C4T -161.3(2) . .
C3T C4T C5T O1T 29.4(4) . .
O1V K2 O1U C2U 52.0(3) . .
O1V' K2 O1U C2U 46.1(3) . .
O1S K2 O1U C2U 142.7(2) 4_575 .
C23 K2 O1U C2U -58.0(3) . .
C24 K2 O1U C2U -68.5(2) . .
C19 K2 O1U C2U -51.7(2) . .
C22 K2 O1U C2U -26.8(3) . .
C2V' K2 O1U C2U 67.9(3) . .
Si1 K2 O1U C2U -129.2(2) . .
K1 K2 O1U C2U 177.1(2) 4_575 .
O1V K2 O1U C5U' -160.2(7) . .
O1V' K2 O1U C5U' -166.1(7) . .
O1S K2 O1U C5U' -69.5(7) 4_575 .
C23 K2 O1U C5U' 89.7(7) . .
C24 K2 O1U C5U' 79.3(7) . .
C19 K2 O1U C5U' 96.1(7) . .
C22 K2 O1U C5U' 121.0(7) . .
C2V' K2 O1U C5U' -144.3(7) . .
Si1 K2 O1U C5U' 18.6(7) . .
K1 K2 O1U C5U' -35.1(7) 4_575 .
O1V K2 O1U C5U 177.3(5) . .
O1V' K2 O1U C5U 171.3(5) . .
O1S K2 O1U C5U -92.1(5) 4_575 .
C23 K2 O1U C5U 67.2(5) . .
C24 K2 O1U C5U 56.8(5) . .
C19 K2 O1U C5U 73.6(5) . .
C22 K2 O1U C5U 98.4(5) . .
C2V' K2 O1U C5U -166.9(6) . .
Si1 K2 O1U C5U -4.0(5) . .
K1 K2 O1U C5U -57.7(5) 4_575 .
C5U' O1U C2U C3U 7.9(9) . .
C5U O1U C2U C3U 29.4(5) . .
K2 O1U C2U C3U 156.5(2) . .
O1U C2U C3U C4U -0.7(6) . .
C2U C3U C4U C5U -25.9(8) . .
C2U O1U C5U C4U -46.9(8) . .
C5U' O1U C5U C4U 66(3) . .
K2 O1U C5U C4U 175.2(6) . .
C3U C4U C5U O1U 44.6(9) . .
C2U O1U C5U' C4U' 12.5(15) . .
C5U O1U C5U' C4U' -61(2) . .
K2 O1U C5U' C4U' -140.4(10) . .
O1V' K2 O1V C2V 46.3(19) . .
O1S K2 O1V C2V -85.3(9) 4_575 .
O1U K2 O1V C2V 2.9(9) . .
C23 K2 O1V C2V 130.1(8) . .
C24 K2 O1V C2V 103.5(8) . .
C19 K2 O1V C2V 84.7(9) . .
C22 K2 O1V C2V 131.2(9) . .
C2V' K2 O1V C2V -35.9(7) . .
Si1 K2 O1V C2V -7(2) . .
K1 K2 O1V C2V -117.5(8) 4_575 .
O1V' K2 O1V C5V -120(3) . .
O1S K2 O1V C5V 108.7(6) 4_575 .
O1U K2 O1V C5V -163.1(6) . .
C23 K2 O1V C5V -35.9(7) . .
C24 K2 O1V C5V -62.5(6) . .
C19 K2 O1V C5V -81.3(6) . .
C22 K2 O1V C5V -34.8(6) . .
C2V' K2 O1V C5V 158.1(12) . .
Si1 K2 O1V C5V -172.9(12) . .
K1 K2 O1V C5V 76.5(6) 4_575 .
C5V O1V C2V C3V -32.7(9) . .
K2 O1V C2V C3V 159.5(6) . .
O1V C2V C3V C4V 9.8(10) . .
C2V C3V C4V C5V 14.8(9) . .
C2V O1V C5V C4V 41.7(8) . .
K2 O1V C5V C4V -149.7(5) . .
C3V C4V C5V O1V -34.0(8) . .
O1V K2 O1V' C5V' 60(2) . .
O1S K2 O1V' C5V' 109.2(9) 4_575 .
O1U K2 O1V' C5V' -164.0(9) . .
C23 K2 O1V' C5V' -38.7(9) . .
C24 K2 O1V' C5V' -66.2(9) . .
C19 K2 O1V' C5V' -82.1(9) . .
C22 K2 O1V' C5V' -34.0(9) . .
C2V' K2 O1V' C5V' 138.7(13) . .
Si1 K2 O1V' C5V' -144.3(8) . .
K1 K2 O1V' C5V' 78.5(9) 4_575 .
O1V K2 O1V' C2V' -78(2) . .
O1S K2 O1V' C2V' -29.5(7) 4_575 .
O1U K2 O1V' C2V' 57.2(7) . .
C23 K2 O1V' C2V' -177.4(7) . .
C24 K2 O1V' C2V' 155.0(6) . .
C19 K2 O1V' C2V' 139.2(7) . .
C22 K2 O1V' C2V' -172.7(7) . .
Si1 K2 O1V' C2V' 77.0(12) . .
K1 K2 O1V' C2V' -60.2(8) 4_575 .
C5V' O1V' C2V' C3V' -19.2(12) . .
K2 O1V' C2V' C3V' 130.0(7) . .
C5V' O1V' C2V' K2 -149.3(11) . .
O1V K2 C2V' O1V' 21.2(8) . .
O1S K2 C2V' O1V' 149.6(7) 4_575 .
O1U K2 C2V' O1V' -115.7(8) . .
C23 K2 C2V' O1V' 3.3(8) . .
C24 K2 C2V' O1V' -33.8(8) . .
C19 K2 C2V' O1V' -45.1(7) . .
C22 K2 C2V' O1V' 7.6(8) . .
Si1 K2 C2V' O1V' -151.8(6) . .
K1 K2 C2V' O1V' 133.2(7) 4_575 .
O1V K2 C2V' C3V' -55.5(6) . .
O1V' K2 C2V' C3V' -76.7(7) . .
O1S K2 C2V' C3V' 72.9(7) 4_575 .
O1U K2 C2V' C3V' 167.6(7) . .
C23 K2 C2V' C3V' -73.4(8) . .
C24 K2 C2V' C3V' -110.4(7) . .
C19 K2 C2V' C3V' -121.8(7) . .
C22 K2 C2V' C3V' -69.0(7) . .
Si1 K2 C2V' C3V' 131.5(5) . .
K1 K2 C2V' C3V' 56.5(7) 4_575 .
O1V' C2V' C3V' C4V' 28.9(11) . .
K2 C2V' C3V' C4V' 80.1(10) . .
C2V' C3V' C4V' C5V' -27.3(11) . .
C2V' O1V' C5V' C4V' 1.1(13) . .
K2 O1V' C5V' C4V' -136.6(8) . .
C3V' C4V' C5V' O1V' 16.9(13) . .
