#------------------------------------------------------------------------------
#$Date: 2023-06-06 08:29:38 +0300 (Tue, 06 Jun 2023) $
#$Revision: 284366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/21/2312120.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312120
loop_
_publ_author_name
'Krawczyk, Monika K.'
_publ_section_title
;
 Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
;
_journal_coeditor_code           XK5098
_journal_issue                   3
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_page_first              245
_journal_page_last               251
_journal_paper_doi               10.1107/S2052520623004006
_journal_volume                  79
_journal_year                    2023
_chemical_formula_sum            'C18 H16 O Si'
_chemical_formula_weight         276.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                114.23(2)
_cell_angle_beta                 101.09(2)
_cell_angle_gamma                95.40(2)
_cell_formula_units_Z            32
_cell_length_a                   22.151(2)
_cell_length_b                   24.498(2)
_cell_length_c                   25.108(2)
_cell_measurement_reflns_used    233812
_cell_measurement_temperature    80(2)
_cell_measurement_theta_max      74.0630
_cell_measurement_theta_min      2.0040
_cell_volume                     11963(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      80(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0144
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            397556
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         74.056
_diffrn_reflns_theta_min         1.995
_exptl_absorpt_coefficient_mu    1.311
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_description       plate
_exptl_crystal_F_000             4672
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.684
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.223
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2916
_refine_ls_number_reflns         46617
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.223
_refine_ls_R_factor_all          0.1208
_refine_ls_R_factor_gt           0.1190
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+104.0322P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2516
_refine_ls_wR_factor_ref         0.2521
_reflns_Friedel_coverage         0.000
_reflns_number_gt                44838
_reflns_number_total             46617
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            xk5098sup1.cif
_cod_data_source_block           phase_II_80K_P-1
_cod_depositor_comments
'Adding full bibliography for 2312118--2312124.cif.'
_cod_database_code               2312120
_cod_database_fobs_code          2312120
_publcif_datablock.id            {7286fe42-54da-43c7-bfc7-5f915890ceb3}
_shelx_shelxl_version_number     2014/7
_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   0.770
_shelx_estimated_absorpt_t_max   0.891
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.08400(17) -0.19926(16) 0.07887(16) 0.0199(8) Uani 1 1 d . . . . .
H1 H -0.0653 -0.1914 0.0560 0.030 Uiso 1 1 d R U . . .
Si1 Si -0.08658(6) -0.13496(6) 0.13562(6) 0.0147(3) Uani 1 1 d . . . . .
C1A C -0.1534(2) -0.1506(2) 0.1663(2) 0.0189(10) Uani 1 1 d . . . . .
C2A C -0.1718(3) -0.1012(3) 0.2088(2) 0.0239(12) Uani 1 1 d . . . . .
H2A H -0.1515 -0.0608 0.2197 0.029 Uiso 1 1 calc R U . . .
C3A C -0.2190(3) -0.1102(3) 0.2354(3) 0.0282(13) Uani 1 1 d . . . . .
H3A H -0.2304 -0.0762 0.2645 0.034 Uiso 1 1 calc R U . . .
C4A C -0.2495(3) -0.1685(3) 0.2193(3) 0.0311(14) Uani 1 1 d . . . . .
H4A H -0.2816 -0.1747 0.2376 0.037 Uiso 1 1 calc R U . . .
C5A C -0.2332(3) -0.2180(3) 0.1766(3) 0.0334(14) Uani 1 1 d . . . . .
H5A H -0.2547 -0.2582 0.1651 0.040 Uiso 1 1 calc R U . . .
C6A C -0.1853(3) -0.2091(3) 0.1505(3) 0.0292(13) Uani 1 1 d . . . . .
H6A H -0.1743 -0.2434 0.1215 0.035 Uiso 1 1 calc R U . . .
C1B C -0.0128(2) -0.1093(2) 0.1957(2) 0.0168(10) Uani 1 1 d . . . . .
C2B C -0.0012(2) -0.0535(2) 0.2479(2) 0.0190(10) Uani 1 1 d . . . . .
H2B H -0.0309 -0.0275 0.2513 0.023 Uiso 1 1 calc R U . . .
C3B C 0.0528(3) -0.0356(2) 0.2943(2) 0.0221(11) Uani 1 1 d . . . . .
H3B H 0.0592 0.0021 0.3292 0.027 Uiso 1 1 calc R U . . .
C4B C 0.0974(3) -0.0723(3) 0.2902(2) 0.0240(12) Uani 1 1 d . . . . .
H4B H 0.1346 -0.0598 0.3217 0.029 Uiso 1 1 calc R U . . .
C5B C 0.0869(3) -0.1273(3) 0.2393(3) 0.0243(12) Uani 1 1 d . . . . .
H5B H 0.1170 -0.1529 0.2362 0.029 Uiso 1 1 calc R U . . .
C6B C 0.0330(3) -0.1455(2) 0.1929(2) 0.0214(11) Uani 1 1 d . . . . .
H6B H 0.0269 -0.1834 0.1584 0.026 Uiso 1 1 calc R U . . .
C1C C -0.1001(2) -0.0749(2) 0.1091(2) 0.0170(10) Uani 1 1 d . . . . .
C2C C -0.0558(3) -0.0225(2) 0.1267(2) 0.0223(11) Uani 1 1 d . . . . .
H2C H -0.0155 -0.0171 0.1517 0.027 Uiso 1 1 calc R U . . .
C3C C -0.0699(3) 0.0225(2) 0.1080(3) 0.0273(13) Uani 1 1 d . . . . .
H3C H -0.0395 0.0583 0.1208 0.033 Uiso 1 1 calc R U . . .
C4C C -0.1278(3) 0.0148(3) 0.0711(3) 0.0295(13) Uani 1 1 d . . . . .
H4C H -0.1378 0.0457 0.0592 0.035 Uiso 1 1 calc R U . . .
C5C C -0.1715(3) -0.0383(3) 0.0512(3) 0.0375(16) Uani 1 1 d . . . . .
H5C H -0.2109 -0.0445 0.0245 0.045 Uiso 1 1 calc R U . . .
C6C C -0.1576(3) -0.0826(3) 0.0702(3) 0.0309(14) Uani 1 1 d . . . . .
H6C H -0.1879 -0.1188 0.0564 0.037 Uiso 1 1 calc R U . . .
O2 O -0.07971(18) -0.22473(18) -0.03385(17) 0.0249(8) Uani 1 1 d . . . . .
H2 H -0.1132 -0.2472 -0.0587 0.037 Uiso 1 1 d R U . . .
Si2 Si -0.03351(7) -0.20506(7) -0.06992(6) 0.0193(3) Uani 1 1 d . . . . .
C1D C -0.0615(2) -0.1465(3) -0.0929(3) 0.0224(11) Uani 1 1 d . . . . .
C2D C -0.0592(3) -0.0870(3) -0.0501(3) 0.0298(13) Uani 1 1 d . . . . .
H2D H -0.0414 -0.0758 -0.0087 0.036 Uiso 1 1 calc R U . . .
C3D C -0.0822(3) -0.0440(3) -0.0665(3) 0.0341(14) Uani 1 1 d . . . . .
H3D H -0.0799 -0.0039 -0.0366 0.041 Uiso 1 1 calc R U . . .
C4D C -0.1086(3) -0.0597(3) -0.1269(3) 0.0313(13) Uani 1 1 d . . . . .
H4D H -0.1239 -0.0301 -0.1383 0.038 Uiso 1 1 calc R U . . .
C5D C -0.1128(3) -0.1181(3) -0.1703(3) 0.0325(14) Uani 1 1 d . . . . .
H5D H -0.1316 -0.1289 -0.2115 0.039 Uiso 1 1 calc R U . . .
C6D C -0.0894(3) -0.1614(3) -0.1537(3) 0.0277(12) Uani 1 1 d . . . . .
H6D H -0.0923 -0.2015 -0.1839 0.033 Uiso 1 1 calc R U . . .
C1E C -0.0322(3) -0.2728(3) -0.1398(2) 0.0231(11) Uani 1 1 d . . . . .
C2E C 0.0174(3) -0.2740(3) -0.1672(3) 0.0326(14) Uani 1 1 d . . . . .
H2E H 0.0534 -0.2422 -0.1471 0.039 Uiso 1 1 calc R U . . .
C3E C 0.0150(4) -0.3210(4) -0.2235(4) 0.048(2) Uani 1 1 d . . . . .
H3E H 0.0495 -0.3210 -0.2409 0.057 Uiso 1 1 calc R U . . .
C4E C -0.0369(4) -0.3676(4) -0.2539(3) 0.048(2) Uani 1 1 d . . . . .
H4E H -0.0391 -0.3988 -0.2928 0.057 Uiso 1 1 calc R U . . .
C5E C -0.0855(3) -0.3681(3) -0.2271(3) 0.0378(16) Uani 1 1 d . . . . .
H5E H -0.1210 -0.4004 -0.2473 0.045 Uiso 1 1 calc R U . . .
C6E C -0.0829(3) -0.3221(3) -0.1711(3) 0.0281(13) Uani 1 1 d . . . . .
H6E H -0.1166 -0.3240 -0.1532 0.034 Uiso 1 1 calc R U . . .
C1F C 0.0448(3) -0.1737(2) -0.0147(2) 0.0210(11) Uani 1 1 d . . . . .
C2F C 0.0606(3) -0.1893(4) 0.0317(4) 0.049(2) Uani 1 1 d . . . . .
H2F H 0.0315 -0.2178 0.0353 0.059 Uiso 1 1 calc R U . . .
C3F C 0.1187(4) -0.1643(5) 0.0740(4) 0.065(3) Uani 1 1 d . . . . .
H3F H 0.1273 -0.1736 0.1076 0.078 Uiso 1 1 calc R U . . .
C4F C 0.1632(3) -0.1267(3) 0.0673(3) 0.0352(15) Uani 1 1 d . . . . .
H4F H 0.2044 -0.1136 0.0932 0.042 Uiso 1 1 calc R U . . .
C5F C 0.1479(4) -0.1088(5) 0.0243(5) 0.078(3) Uani 1 1 d . . . . .
H5F H 0.1773 -0.0802 0.0211 0.094 Uiso 1 1 calc R U . . .
C6F C 0.0888(4) -0.1319(5) -0.0165(5) 0.078(3) Uani 1 1 d . . . . .
H6F H 0.0788 -0.1179 -0.0467 0.094 Uiso 1 1 calc R U . . .
O3 O -0.19215(18) -0.29423(18) -0.06514(18) 0.0265(9) Uani 1 1 d . . . . .
H3 H -0.1856 -0.3129 -0.0437 0.040 Uiso 1 1 d R U . . .
Si3 Si -0.26214(6) -0.32336(7) -0.11238(6) 0.0182(3) Uani 1 1 d . . . . .
C1G C -0.3177(2) -0.3434(3) -0.0730(2) 0.0208(11) Uani 1 1 d . . . . .
C2G C -0.3519(3) -0.4015(3) -0.0936(3) 0.0300(13) Uani 1 1 d . . . . .
H2G H -0.3463 -0.4336 -0.1288 0.036 Uiso 1 1 calc R U . . .
C3G C -0.3945(3) -0.4139(3) -0.0636(4) 0.0394(16) Uani 1 1 d . . . . .
H3G H -0.4173 -0.4542 -0.0783 0.047 Uiso 1 1 calc R U . . .
C4G C -0.4034(3) -0.3679(4) -0.0129(4) 0.0422(18) Uani 1 1 d . . . . .
H4G H -0.4325 -0.3762 0.0074 0.051 Uiso 1 1 calc R U . . .
C5G C -0.3700(3) -0.3097(3) 0.0083(3) 0.0405(16) Uani 1 1 d . . . . .
H5G H -0.3761 -0.2777 0.0432 0.049 Uiso 1 1 calc R U . . .
C6G C -0.3272(3) -0.2974(3) -0.0212(3) 0.0297(13) Uani 1 1 d . . . . .
H6G H -0.3041 -0.2571 -0.0058 0.036 Uiso 1 1 calc R U . . .
C1H C -0.2572(3) -0.3938(3) -0.1777(2) 0.0244(12) Uani 1 1 d . . . . .
C2H C -0.2812(4) -0.4071(5) -0.2371(3) 0.069(3) Uani 1 1 d . . . . .
H2H H -0.3000 -0.3778 -0.2466 0.083 Uiso 1 1 calc R U . . .
C3H C -0.2791(6) -0.4620(7) -0.2838(4) 0.121(6) Uani 1 1 d . . . . .
H3H H -0.2979 -0.4705 -0.3244 0.145 Uiso 1 1 calc R U . . .
C4H C -0.2495(4) -0.5043(4) -0.2712(4) 0.071(3) Uani 1 1 d . . . . .
H4H H -0.2490 -0.5425 -0.3029 0.085 Uiso 1 1 calc R U . . .
C5H C -0.2215(5) -0.4905(4) -0.2134(4) 0.068(3) Uani 1 1 d . . . . .
H5H H -0.1990 -0.5180 -0.2040 0.082 Uiso 1 1 calc R U . . .
C6H C -0.2259(5) -0.4358(4) -0.1680(4) 0.061(3) Uani 1 1 d . . . . .
H6H H -0.2059 -0.4269 -0.1275 0.073 Uiso 1 1 calc R U . . .
C1I C -0.2849(2) -0.2631(2) -0.1353(2) 0.0201(11) Uani 1 1 d . . . . .
C2I C -0.3450(3) -0.2705(3) -0.1703(3) 0.0243(12) Uani 1 1 d . . . . .
H2I H -0.3748 -0.3066 -0.1822 0.029 Uiso 1 1 calc R U . . .
C3I C -0.3618(3) -0.2265(3) -0.1880(3) 0.0272(12) Uani 1 1 d . . . . .
H3I H -0.4024 -0.2332 -0.2130 0.033 Uiso 1 1 calc R U . . .
C4I C -0.3201(3) -0.1726(3) -0.1696(3) 0.0309(13) Uani 1 1 d . . . . .
H4I H -0.3320 -0.1422 -0.1815 0.037 Uiso 1 1 calc R U . . .
C5I C -0.2601(3) -0.1633(3) -0.1332(3) 0.0331(14) Uani 1 1 d . . . . .
H5I H -0.2311 -0.1264 -0.1200 0.040 Uiso 1 1 calc R U . . .
C6I C -0.2430(3) -0.2085(3) -0.1165(3) 0.0299(13) Uani 1 1 d . . . . .
H6I H -0.2022 -0.2021 -0.0920 0.036 Uiso 1 1 calc R U . . .
O4 O -0.13490(18) -0.31619(16) 0.02592(17) 0.0210(8) Uani 1 1 d . . . . .
H4 H -0.1146 -0.2815 0.0513 0.032 Uiso 1 1 d R U . . .
Si4 Si -0.11022(6) -0.36828(6) 0.04568(6) 0.0159(3) Uani 1 1 d . . . . .
C1J C -0.0912(2) -0.4272(2) -0.0220(2) 0.0197(11) Uani 1 1 d . . . . .
C2J C -0.0845(5) -0.4839(3) -0.0275(4) 0.066(3) Uani 1 1 d . . . . .
H2J H -0.0925 -0.4952 0.0028 0.079 Uiso 1 1 calc R U . . .
C3J C -0.0664(5) -0.5255(3) -0.0758(4) 0.069(3) Uani 1 1 d . . . . .
H3J H -0.0630 -0.5647 -0.0782 0.083 Uiso 1 1 calc R U . . .
C4J C -0.0537(3) -0.5112(3) -0.1191(3) 0.0335(14) Uani 1 1 d . . . . .
H4J H -0.0404 -0.5395 -0.1517 0.040 Uiso 1 1 calc R U . . .
C5J C -0.0602(5) -0.4552(4) -0.1151(4) 0.059(2) Uani 1 1 d . . . . .
H5J H -0.0519 -0.4445 -0.1456 0.070 Uiso 1 1 calc R U . . .
C6J C -0.0789(4) -0.4130(3) -0.0669(3) 0.0462(19) Uani 1 1 d . . . . .
H6J H -0.0831 -0.3742 -0.0652 0.055 Uiso 1 1 calc R U . . .
C1K C -0.0364(2) -0.3336(2) 0.1083(2) 0.0180(10) Uani 1 1 d . . . . .
C2K C -0.0354(3) -0.3165(3) 0.1690(3) 0.0263(12) Uani 1 1 d . . . . .
H2K H -0.0738 -0.3213 0.1797 0.032 Uiso 1 1 calc R U . . .
C3K C 0.0203(3) -0.2928(3) 0.2138(3) 0.0294(13) Uani 1 1 d . . . . .
H3K H 0.0198 -0.2819 0.2547 0.035 Uiso 1 1 calc R U . . .
C4K C 0.0764(3) -0.2850(3) 0.1993(3) 0.0285(13) Uani 1 1 d . . . . .
H4K H 0.1147 -0.2692 0.2299 0.034 Uiso 1 1 calc R U . . .
C5K C 0.0767(3) -0.3003(3) 0.1395(3) 0.0272(12) Uani 1 1 d . . . . .
H5K H 0.1151 -0.2943 0.1292 0.033 Uiso 1 1 calc R U . . .
C6K C 0.0208(3) -0.3242(3) 0.0950(3) 0.0243(12) Uani 1 1 d . . . . .
H6K H 0.0215 -0.3345 0.0543 0.029 Uiso 1 1 calc R U . . .
C1L C -0.1737(2) -0.3988(2) 0.0711(2) 0.0189(10) Uani 1 1 d . . . . .
C2L C -0.1649(2) -0.4391(3) 0.0970(3) 0.0228(11) Uani 1 1 d . . . . .
H2L H -0.1259 -0.4521 0.1015 0.027 Uiso 1 1 calc R U . . .
C3L C -0.2131(3) -0.4606(3) 0.1164(3) 0.0264(12) Uani 1 1 d . . . . .
H3L H -0.2066 -0.4879 0.1339 0.032 Uiso 1 1 calc R U . . .
C4L C -0.2702(3) -0.4422(3) 0.1101(3) 0.0266(12) Uani 1 1 d . . . . .
H4L H -0.3029 -0.4573 0.1229 0.032 Uiso 1 1 calc R U . . .
C5L C -0.2796(3) -0.4019(3) 0.0852(3) 0.0243(12) Uani 1 1 d . . . . .
H5L H -0.3186 -0.3888 0.0813 0.029 Uiso 1 1 calc R U . . .
C6L C -0.2316(2) -0.3803(2) 0.0657(2) 0.0207(11) Uani 1 1 d . . . . .
H6L H -0.2383 -0.3526 0.0486 0.025 Uiso 1 1 calc R U . . .
O5 O 0.0812(2) 0.68088(18) 0.42956(18) 0.0275(9) Uani 1 1 d . . . . .
H5 H 0.0815 0.7100 0.4201 0.041 Uiso 1 1 d R U . . .
Si5 Si 0.09927(7) 0.62283(6) 0.37698(6) 0.0175(3) Uani 1 1 d . . . . .
C1M C 0.1309(3) 0.5730(2) 0.4107(2) 0.0207(11) Uani 1 1 d . . . . .
C2M C 0.1282(5) 0.5811(4) 0.4687(3) 0.057(2) Uani 1 1 d . . . . .
H2M H 0.1119 0.6145 0.4930 0.068 Uiso 1 1 calc R U . . .
C3M C 0.1486(5) 0.5416(4) 0.4912(4) 0.062(3) Uani 1 1 d . . . . .
H3M H 0.1453 0.5477 0.5304 0.075 Uiso 1 1 calc R U . . .
C4M C 0.1734(3) 0.4941(3) 0.4584(3) 0.0349(15) Uani 1 1 d . . . . .
H4M H 0.1877 0.4674 0.4746 0.042 Uiso 1 1 calc R U . . .
C5M C 0.1778(3) 0.4848(3) 0.4012(3) 0.0362(15) Uani 1 1 d . . . . .
H5M H 0.1953 0.4518 0.3779 0.043 Uiso 1 1 calc R U . . .
C6M C 0.1564(3) 0.5240(3) 0.3780(3) 0.0288(13) Uani 1 1 d . . . . .
H6M H 0.1593 0.5172 0.3385 0.035 Uiso 1 1 calc R U . . .
C1N C 0.0283(3) 0.5797(2) 0.3132(2) 0.0206(11) Uani 1 1 d . . . . .
C2N C -0.0143(3) 0.6114(3) 0.2946(3) 0.0283(13) Uani 1 1 d . . . . .
H2N H -0.0082 0.6545 0.3166 0.034 Uiso 1 1 calc R U . . .
C3N C -0.0653(3) 0.5808(3) 0.2444(3) 0.0330(14) Uani 1 1 d . . . . .
H3N H -0.0938 0.6029 0.2327 0.040 Uiso 1 1 calc R U . . .
C4N C -0.0743(3) 0.5178(3) 0.2115(3) 0.0281(13) Uani 1 1 d . . . . .
H4N H -0.1085 0.4969 0.1769 0.034 Uiso 1 1 calc R U . . .
C5N C -0.0335(3) 0.4861(3) 0.2295(3) 0.0300(13) Uani 1 1 d . . . . .
H5N H -0.0397 0.4430 0.2073 0.036 Uiso 1 1 calc R U . . .
C6N C 0.0162(3) 0.5166(3) 0.2795(3) 0.0262(12) Uani 1 1 d . . . . .
H6N H 0.0434 0.4936 0.2916 0.031 Uiso 1 1 calc R U . . .
C1O C 0.1587(2) 0.6545(2) 0.3489(2) 0.0187(10) Uani 1 1 d . . . . .
C2O C 0.1552(3) 0.6318(3) 0.2870(3) 0.0288(13) Uani 1 1 d . . . . .
H2O H 0.1216 0.5997 0.2588 0.035 Uiso 1 1 calc R U . . .
C3O C 0.2000(3) 0.6555(3) 0.2662(3) 0.0372(16) Uani 1 1 d . . . . .
H3O H 0.1974 0.6388 0.2242 0.045 Uiso 1 1 calc R U . . .
C4O C 0.2486(3) 0.7035(3) 0.3068(3) 0.0368(16) Uani 1 1 d . . . . .
H4O H 0.2792 0.7196 0.2925 0.044 Uiso 1 1 calc R U . . .
C5O C 0.2520(3) 0.7273(3) 0.3674(4) 0.0451(19) Uani 1 1 d . . . . .
H5O H 0.2847 0.7605 0.3953 0.054 Uiso 1 1 calc R U . . .
C6O C 0.2075(3) 0.7026(3) 0.3880(3) 0.0324(14) Uani 1 1 d . . . . .
H6O H 0.2108 0.7193 0.4302 0.039 Uiso 1 1 calc R U . . .
O6 O 0.10877(18) 0.80050(17) 0.46714(18) 0.0229(8) Uani 1 1 d . . . . .
H6 H 0.1333 0.8149 0.5018 0.034 Uiso 1 1 d R U . . .
Si6 Si 0.09046(7) 0.85683(6) 0.45134(6) 0.0169(3) Uani 1 1 d . . . . .
C1P C 0.1521(3) 0.8840(2) 0.4213(2) 0.0209(11) Uani 1 1 d . . . . .
C2P C 0.1673(3) 0.8411(3) 0.3708(3) 0.0260(12) Uani 1 1 d . . . . .
H2P H 0.1452 0.8000 0.3521 0.031 Uiso 1 1 calc R U . . .
C3P C 0.2142(3) 0.8576(3) 0.3477(3) 0.0295(13) Uani 1 1 d . . . . .
H3P H 0.2233 0.8281 0.3130 0.035 Uiso 1 1 calc R U . . .
C4P C 0.2476(2) 0.9170(3) 0.3750(3) 0.0227(11) Uani 1 1 d . . . . .
H4P H 0.2803 0.9280 0.3596 0.027 Uiso 1 1 calc R U . . .
C5P C 0.2333(2) 0.9606(2) 0.4254(2) 0.0200(11) Uani 1 1 d . . . . .
H5P H 0.2556 1.0016 0.4438 0.024 Uiso 1 1 calc R U . . .
C6P C 0.1863(2) 0.9438(2) 0.4484(2) 0.0183(10) Uani 1 1 d . . . . .
H6P H 0.1772 0.9734 0.4831 0.022 Uiso 1 1 calc R U . . .
C1Q C 0.0830(2) 0.9208(2) 0.5220(2) 0.0204(11) Uani 1 1 d . . . . .
C2Q C 0.0913(3) 0.9177(3) 0.5765(3) 0.0266(12) Uani 1 1 d . . . . .
H2Q H 0.0995 0.8810 0.5784 0.032 Uiso 1 1 calc R U . . .
C3Q C 0.0879(3) 0.9668(3) 0.6290(3) 0.0286(13) Uani 1 1 d . . . . .
H3Q H 0.0944 0.9636 0.6660 0.034 Uiso 1 1 calc R U . . .
C4Q C 0.0751(3) 1.0203(2) 0.6272(3) 0.0224(11) Uani 1 1 d . . . . .
H4Q H 0.0727 1.0537 0.6629 0.027 Uiso 1 1 calc R U . . .
C5Q C 0.0657(2) 1.0250(2) 0.5731(3) 0.0210(11) Uani 1 1 d . . . . .
H5Q H 0.0567 1.0615 0.5716 0.025 Uiso 1 1 calc R U . . .
C6Q C 0.0697(2) 0.9759(2) 0.5211(2) 0.0182(10) Uani 1 1 d . . . . .
H6Q H 0.0633 0.9794 0.4842 0.022 Uiso 1 1 calc R U . . .
C1R C 0.0150(2) 0.8237(2) 0.3914(2) 0.0186(10) Uani 1 1 d . . . . .
C2R C -0.0005(3) 0.8429(2) 0.3462(3) 0.0233(11) Uani 1 1 d . . . . .
H2R H 0.0290 0.8727 0.3447 0.028 Uiso 1 1 calc R U . . .
C3R C -0.0577(3) 0.8194(3) 0.3032(3) 0.0257(12) Uani 1 1 d . . . . .
H3R H -0.0671 0.8334 0.2729 0.031 Uiso 1 1 calc R U . . .
C4R C -0.1014(3) 0.7756(3) 0.3045(3) 0.0268(12) Uani 1 1 d . . . . .
H4R H -0.1409 0.7600 0.2756 0.032 Uiso 1 1 calc R U . . .
C5R C -0.0869(3) 0.7550(3) 0.3484(3) 0.0261(12) Uani 1 1 d . . . . .
H5R H -0.1162 0.7244 0.3490 0.031 Uiso 1 1 calc R U . . .
C6R C -0.0297(3) 0.7788(2) 0.3917(3) 0.0216(11) Uani 1 1 d . . . . .
H6R H -0.0205 0.7647 0.4218 0.026 Uiso 1 1 calc R U . . .
O7 O 0.16846(18) 0.79213(19) 0.56544(18) 0.0302(9) Uani 1 1 d . . . . .
H7 H 0.1400 0.7852 0.5809 0.045 Uiso 1 1 d R U . . .
Si7 Si 0.23603(7) 0.81891(7) 0.61727(7) 0.0224(3) Uani 1 1 d . . . . .
C1S C 0.2275(3) 0.8833(3) 0.6873(3) 0.0245(12) Uani 1 1 d . . . . .
C2S C 0.1710(3) 0.8824(3) 0.7043(3) 0.0350(14) Uani 1 1 d . . . . .
H2S H 0.1358 0.8510 0.6785 0.042 Uiso 1 1 calc R U . . .
C3S C 0.1659(4) 0.9270(3) 0.7587(3) 0.0421(17) Uani 1 1 d . . . . .
H3S H 0.1273 0.9259 0.7698 0.051 Uiso 1 1 calc R U . . .
C4S C 0.2167(4) 0.9728(3) 0.7964(3) 0.0404(17) Uani 1 1 d . . . . .
H4S H 0.2131 1.0031 0.8337 0.048 Uiso 1 1 calc R U . . .
C5S C 0.2722(4) 0.9747(3) 0.7804(3) 0.0425(17) Uani 1 1 d . . . . .
H5S H 0.3071 1.0063 0.8065 0.051 Uiso 1 1 calc R U . . .
C6S C 0.2777(3) 0.9300(3) 0.7257(3) 0.0298(13) Uani 1 1 d . . . . .
H6S H 0.3163 0.9318 0.7148 0.036 Uiso 1 1 calc R U . . .
C1T C 0.2938(3) 0.8441(3) 0.5828(3) 0.0249(12) Uani 1 1 d . . . . .
C2T C 0.3547(4) 0.8376(6) 0.5949(5) 0.090(4) Uani 1 1 d . . . . .
H2T H 0.3677 0.8195 0.6211 0.108 Uiso 1 1 calc R U . . .
C3T C 0.3983(5) 0.8570(7) 0.5699(6) 0.111(6) Uani 1 1 d . . . . .
H3T H 0.4406 0.8528 0.5803 0.133 Uiso 1 1 calc R U . . .
C4T C 0.3814(3) 0.8818(3) 0.5310(3) 0.0347(15) Uani 1 1 d . . . . .
H4T H 0.4111 0.8947 0.5138 0.042 Uiso 1 1 calc R U . . .
C5T C 0.3216(3) 0.8874(3) 0.5176(3) 0.0403(17) Uani 1 1 d . . . . .
H5T H 0.3087 0.9039 0.4900 0.048 Uiso 1 1 calc R U . . .
C6T C 0.2774(3) 0.8696(4) 0.5435(4) 0.047(2) Uani 1 1 d . . . . .
H6T H 0.2356 0.8752 0.5339 0.056 Uiso 1 1 calc R U . . .
C1U C 0.261(3) 0.754(3) 0.634(3) 0.03(3) Uiso 0.2 1 d . . P A 9
C2U C 0.2465(19) 0.6940(15) 0.5930(16) 0.021(10) Uiso 0.2 1 d . . P A 9
H2U H 0.2193 0.6837 0.5546 0.025 Uiso 0.2 1 calc R U P A 9
C3U C 0.2679(16) 0.6475(14) 0.6027(15) 0.021(7) Uiso 0.2 1 d . . P A 9
H3U H 0.2621 0.6091 0.5689 0.026 Uiso 0.2 1 calc R U P A 9
C4U C 0.2944(19) 0.653(2) 0.653(2) 0.036(10) Uiso 0.2 1 d . . P A 9
H4U H 0.3011 0.6182 0.6598 0.043 Uiso 0.2 1 calc R U P A 9
C5U C 0.314(3) 0.712(3) 0.699(3) 0.053(14) Uiso 0.2 1 d . . P A 9
H5U H 0.3399 0.7182 0.7369 0.064 Uiso 0.2 1 calc R U P A 9
C6U C 0.295(2) 0.763(3) 0.691(2) 0.025(16) Uiso 0.2 1 d . . P A 9
H6U H 0.3065 0.8021 0.7236 0.030 Uiso 0.2 1 calc R U P A 9
C1UR C 0.2584(12) 0.7536(7) 0.6393(9) 0.021(12) Uiso 0.3 1 d G . P A 10
C2UR C 0.2384(9) 0.6922(8) 0.5992(7) 0.028(9) Uiso 0.3 1 d G . P A 10
H2UR H 0.2109 0.6805 0.5606 0.034 Uiso 0.3 1 calc R U P A 10
C3UR C 0.2587(7) 0.6479(6) 0.6155(7) 0.017(5) Uiso 0.3 1 d G . P A 10
H3UR H 0.2450 0.6059 0.5881 0.021 Uiso 0.3 1 calc R U P A 10
C4UR C 0.2989(7) 0.6650(7) 0.6719(7) 0.015(5) Uiso 0.3 1 d G . P A 10
H4UR H 0.3127 0.6347 0.6830 0.018 Uiso 0.3 1 calc R U P A 10
C5UR C 0.3189(8) 0.7263(8) 0.7120(6) 0.018(5) Uiso 0.3 1 d G . P A 10
H5UR H 0.3463 0.7380 0.7505 0.021 Uiso 0.3 1 calc R U P A 10
C6UR C 0.2986(11) 0.7707(6) 0.6957(8) 0.025(13) Uiso 0.3 1 d G . P A 10
H6UR H 0.3123 0.8126 0.7231 0.030 Uiso 0.3 1 calc R U P A 10
C1UU C 0.2622(6) 0.7602(4) 0.6371(4) 0.018(8) Uiso 0.5 1 d G . P A 11
C2UU C 0.2771(6) 0.7105(5) 0.5929(3) 0.037(3) Uiso 0.5 1 d G . P A 11
H2UU H 0.2726 0.7075 0.5534 0.045 Uiso 0.5 1 calc R U P A 11
C3UU C 0.2985(5) 0.6650(4) 0.6066(4) 0.038(3) Uiso 0.5 1 d G . P A 11
H3UU H 0.3087 0.6310 0.5764 0.046 Uiso 0.5 1 calc R U P A 11
C4UU C 0.3051(5) 0.6694(4) 0.6645(4) 0.036(5) Uiso 0.5 1 d G . P A 11
H4UU H 0.3197 0.6383 0.6738 0.044 Uiso 0.5 1 calc R U P A 11
C5UU C 0.2902(5) 0.7192(4) 0.7087(3) 0.031(3) Uiso 0.5 1 d G . P A 11
H5UU H 0.2947 0.7221 0.7482 0.037 Uiso 0.5 1 calc R U P A 11
C6UU C 0.2688(5) 0.7646(4) 0.6950(4) 0.024(2) Uiso 0.5 1 d G . P A 11
H6UU H 0.2586 0.7986 0.7252 0.028 Uiso 0.5 1 calc R U P A 11
O8 O 0.0648(2) 0.7139(2) 0.53912(19) 0.0325(10) Uani 1 1 d . . . B 12
H8 H 0.0533 0.6964 0.5012 0.049 Uiso 1 1 d R U . B 12
Si8 Si 0.01010(8) 0.69237(7) 0.56636(7) 0.0244(3) Uani 1 1 d . . . B 12
C1V C 0.0357(3) 0.6356(3) 0.5937(3) 0.0337(14) Uani 1 1 d . . . B 12
C2V C -0.0030(4) 0.5803(3) 0.5767(4) 0.0449(18) Uani 1 1 d . . . B 12
H2V H -0.0439 0.5708 0.5509 0.054 Uiso 1 1 calc R U . B 12
C3V C 0.0174(5) 0.5379(4) 0.5972(5) 0.064(3) Uani 1 1 d . . . B 12
H3V H -0.0099 0.5005 0.5857 0.077 Uiso 1 1 d R U . B 12
C4V C 0.0760(5) 0.5508(4) 0.6341(4) 0.059(3) Uani 1 1 d . . . B 12
H4V H 0.0897 0.5221 0.6479 0.071 Uiso 1 1 calc R U . B 12
C5V C 0.1155(4) 0.6061(4) 0.6516(3) 0.0476(19) Uani 1 1 d . . . B 12
H5V H 0.1564 0.6154 0.6772 0.057 Uiso 1 1 d R U . B 12
C6V C 0.0952(4) 0.6480(3) 0.6316(3) 0.0400(16) Uani 1 1 d . . . B 12
H6V H 0.1225 0.6857 0.6439 0.048 Uiso 1 1 calc R U . B 12
C1W C -0.0655(3) 0.6607(2) 0.5065(3) 0.0262(12) Uani 1 1 d . . . B 12
C2W C -0.0689(3) 0.6468(3) 0.4453(3) 0.0301(13) Uani 1 1 d . . . B 12
H2W H -0.0312 0.6508 0.4333 0.036 Uiso 1 1 calc R U . B 12
C3W C -0.1255(3) 0.6274(3) 0.4028(3) 0.0359(15) Uani 1 1 d . . . B 12
H3W H -0.1264 0.6182 0.3620 0.043 Uiso 1 1 calc R U . B 12
C4W C -0.1816(4) 0.6213(3) 0.4192(3) 0.0382(15) Uani 1 1 d . . . B 12
H4W H -0.2208 0.6090 0.3903 0.046 Uiso 1 1 calc R U . B 12
C5W C -0.1787(3) 0.6334(3) 0.4787(3) 0.0368(15) Uani 1 1 d . . . B 12
H5W H -0.2164 0.6285 0.4903 0.044 Uiso 1 1 calc R U . B 12
C6W C -0.1220(3) 0.6526(3) 0.5213(3) 0.0327(14) Uani 1 1 d . . . B 12
H6W H -0.1215 0.6604 0.5618 0.039 Uiso 1 1 calc R U . B 12
C1Z C 0.0021(3) 0.7631(3) 0.6301(2) 0.0231(11) Uani 1 1 d . . . B 12
C2Z C -0.0129(3) 0.8124(3) 0.6192(3) 0.0249(12) Uani 1 1 d . . . B 12
H2Z H -0.0194 0.8089 0.5793 0.030 Uiso 1 1 calc R U . B 12
C3Z C -0.0187(3) 0.8665(3) 0.6652(3) 0.0313(13) Uani 1 1 d . . . B 12
H3Z H -0.0286 0.8996 0.6570 0.038 Uiso 1 1 calc R U . B 12
C4Z C -0.0098(3) 0.8711(3) 0.7234(3) 0.0376(15) Uani 1 1 d . . . B 12
H4Z H -0.0135 0.9079 0.7551 0.045 Uiso 1 1 calc R U . B 12
C5Z C 0.0045(3) 0.8230(3) 0.7360(3) 0.0351(15) Uani 1 1 d . . . B 12
H5Z H 0.0098 0.8264 0.7757 0.042 Uiso 1 1 calc R U . B 12
C6Z C 0.0110(3) 0.7695(3) 0.6893(3) 0.0265(12) Uani 1 1 d . . . B 12
H6Z H 0.0216 0.7367 0.6979 0.032 Uiso 1 1 calc R U . B 12
O9 O 0.32071(18) 0.18883(18) 0.41765(17) 0.0255(8) Uani 1 1 d . . . C 12
H9 H 0.3282 0.1744 0.4428 0.038 Uiso 1 1 d R U . C 12
Si9 Si 0.24757(7) 0.16041(7) 0.37637(6) 0.0192(3) Uani 1 1 d . . . C 12
C1AA C 0.2446(3) 0.0824(3) 0.3168(2) 0.0226(11) Uani 1 1 d . . . C 12
C2AA C 0.2954(3) 0.0532(3) 0.3202(3) 0.0271(12) Uani 1 1 d . . . C 12
H2AA H 0.3328 0.0746 0.3512 0.032 Uiso 1 1 calc R U . C 12
C3AA C 0.2923(3) -0.0068(3) 0.2791(3) 0.0299(13) Uani 1 1 d . . . C 12
H3AA H 0.3275 -0.0256 0.2823 0.036 Uiso 1 1 calc R U . C 12
C4AA C 0.2382(3) -0.0392(3) 0.2337(3) 0.0279(13) Uani 1 1 d . . . C 12
H4AA H 0.2358 -0.0804 0.2061 0.033 Uiso 1 1 calc R U . C 12
C5AA C 0.1878(3) -0.0107(3) 0.2293(3) 0.0289(13) Uani 1 1 d . . . C 12
H5AA H 0.1508 -0.0322 0.1978 0.035 Uiso 1 1 calc R U . C 12
C6AA C 0.1904(3) 0.0490(3) 0.2703(2) 0.0258(12) Uani 1 1 d . . . C 12
H6AA H 0.1549 0.0675 0.2667 0.031 Uiso 1 1 calc R U . C 12
C1BA C 0.2257(3) 0.2130(3) 0.3426(2) 0.0232(11) Uani 1 1 d . . . C 12
C2BA C 0.2657(3) 0.2292(3) 0.3115(3) 0.0335(14) Uani 1 1 d . . . C 12
H2BA H 0.3026 0.2126 0.3080 0.040 Uiso 1 1 calc R U . C 12
C3BA C 0.2523(3) 0.2685(4) 0.2864(3) 0.0391(16) Uani 1 1 d . . . C 12
H3BA H 0.2800 0.2788 0.2660 0.047 Uiso 1 1 calc R U . C 12
C4BA C 0.1986(3) 0.2932(3) 0.2907(3) 0.0336(14) Uani 1 1 d . . . C 12
H4BA H 0.1899 0.3210 0.2741 0.040 Uiso 1 1 calc R U . C 12
C5BA C 0.1576(3) 0.2768(3) 0.3197(3) 0.0298(13) Uani 1 1 d . . . C 12
H5BA H 0.1203 0.2928 0.3221 0.036 Uiso 1 1 calc R U . C 12
C6BA C 0.1712(3) 0.2372(3) 0.3449(3) 0.0258(12) Uani 1 1 d . . . C 12
H6BA H 0.1426 0.2262 0.3643 0.031 Uiso 1 1 calc R U . C 12
C1CA C 0.1956(2) 0.1542(2) 0.4245(2) 0.0201(11) Uani 1 1 d . . . C 12
C2CA C 0.1881(3) 0.2073(3) 0.4722(3) 0.0264(12) Uani 1 1 d . . . C 12
H2CA H 0.2108 0.2458 0.4801 0.032 Uiso 1 1 calc R U . C 12
C3CA C 0.1480(3) 0.2043(3) 0.5081(3) 0.0310(13) Uani 1 1 d . . . C 12
H3CA H 0.1429 0.2405 0.5395 0.037 Uiso 1 1 calc R U . C 12
C4CA C 0.1154(3) 0.1475(3) 0.4974(3) 0.0288(13) Uani 1 1 d . . . C 12
H4CA H 0.0879 0.1452 0.5214 0.035 Uiso 1 1 calc R U . C 12
C5CA C 0.1235(3) 0.0941(3) 0.4513(3) 0.0270(12) Uani 1 1 d . . . C 12
H5CA H 0.1022 0.0553 0.4443 0.032 Uiso 1 1 calc R U . C 12
C6CA C 0.1634(3) 0.0988(3) 0.4158(2) 0.0243(12) Uani 1 1 d . . . C 12
H6CA H 0.1686 0.0625 0.3844 0.029 Uiso 1 1 calc R U . C 12
O10 O 0.3699(2) 0.17542(18) 0.51719(18) 0.0292(9) Uani 1 1 d . . . D 12
H10 H 0.4007 0.1996 0.5191 0.044 Uiso 1 1 d R U . D 12
Si10 Si 0.39492(7) 0.12659(7) 0.54140(7) 0.0199(3) Uani 1 1 d . . . D 12
C1DA C 0.4149(3) 0.0652(2) 0.4763(3) 0.0227(11) Uani 1 1 d . . . D 12
C2DA C 0.4369(3) 0.0786(3) 0.4338(3) 0.0346(14) Uani 1 1 d . . . D 12
H2DA H 0.4393 0.1188 0.4369 0.042 Uiso 1 1 calc R U . D 12
C3DA C 0.4553(3) 0.0353(4) 0.3875(3) 0.0479(19) Uani 1 1 d . . . D 12
H3DA H 0.4701 0.0460 0.3592 0.057 Uiso 1 1 calc R U . D 12
C4DA C 0.4524(3) -0.0230(3) 0.3818(3) 0.0404(17) Uani 1 1 d . . . D 12
H4DA H 0.4659 -0.0524 0.3502 0.048 Uiso 1 1 calc R U . D 12
C5DA C 0.4298(3) -0.0389(3) 0.4220(3) 0.0426(17) Uani 1 1 d . . . D 12
H5DA H 0.4274 -0.0793 0.4182 0.051 Uiso 1 1 calc R U . D 12
C6DA C 0.4105(3) 0.0054(3) 0.4685(3) 0.0345(14) Uani 1 1 d . . . D 12
H6DA H 0.3938 -0.0059 0.4955 0.041 Uiso 1 1 calc R U . D 12
C1EA C 0.4675(2) 0.1674(2) 0.6046(3) 0.0215(11) Uani 1 1 d . . . D 12
C2EA C 0.4710(3) 0.1779(3) 0.6636(3) 0.0287(13) Uani 1 1 d . . . D 12
H2EA H 0.4353 0.1633 0.6731 0.034 Uiso 1 1 calc R U . D 12
C3EA C 0.5259(3) 0.2096(3) 0.7100(3) 0.0323(14) Uani 1 1 d . . . D 12
H3EA H 0.5272 0.2159 0.7502 0.039 Uiso 1 1 calc R U . D 12
C4EA C 0.5776(3) 0.2313(3) 0.6966(3) 0.0348(15) Uani 1 1 d . . . D 12
H4EA H 0.6148 0.2530 0.7277 0.042 Uiso 1 1 calc R U . D 12
C5EA C 0.5758(3) 0.2216(3) 0.6375(3) 0.0402(16) Uani 1 1 d . . . D 12
H5EA H 0.6116 0.2366 0.6284 0.048 Uiso 1 1 calc R U . D 12
C6EA C 0.5216(3) 0.1900(3) 0.5923(3) 0.0306(13) Uani 1 1 d . . . D 12
H6EA H 0.5207 0.1833 0.5521 0.037 Uiso 1 1 calc R U . D 12
C1FA C 0.3318(3) 0.0974(3) 0.5683(2) 0.0235(12) Uani 1 1 d . . . D 12
C2FA C 0.2751(3) 0.1179(3) 0.5643(3) 0.0268(12) Uani 1 1 d . . . D 12
H2FA H 0.2690 0.1458 0.5474 0.032 Uiso 1 1 calc R U . D 12
C3FA C 0.2275(3) 0.0979(3) 0.5848(3) 0.0341(15) Uani 1 1 d . . . D 12
H3FA H 0.1893 0.1124 0.5819 0.041 Uiso 1 1 calc R U . D 12
C4FA C 0.2357(3) 0.0571(4) 0.6092(3) 0.0392(17) Uani 1 1 d . . . D 12
H4FA H 0.2033 0.0439 0.6236 0.047 Uiso 1 1 calc R U . D 12
C5FA C 0.2916(3) 0.0351(4) 0.6127(3) 0.0374(16) Uani 1 1 d . . . D 12
H5FA H 0.2969 0.0059 0.6282 0.045 Uiso 1 1 calc R U . D 12
C6FA C 0.3390(3) 0.0564(3) 0.5935(3) 0.0274(13) Uani 1 1 d . . . D 12
H6FA H 0.3777 0.0428 0.5975 0.033 Uiso 1 1 calc R U . D 12
O11 O 0.4069(2) 0.29634(17) 0.56465(18) 0.0264(9) Uani 1 1 d . . . E 12
H11 H 0.4156 0.3020 0.5360 0.040 Uiso 1 1 calc R U . E 12
Si11 Si 0.40489(8) 0.36215(7) 0.61929(7) 0.0236(3) Uani 1 1 d . . . E 12
C1GA C 0.3459(3) 0.3477(3) 0.6585(2) 0.0216(11) Uani 1 1 d . . . E 12
C2GA C 0.3127(4) 0.2898(3) 0.6429(4) 0.048(2) Uani 1 1 d . . . E 12
H2GA H 0.3201 0.2553 0.6112 0.057 Uiso 1 1 calc R U . E 12
C3GA C 0.2687(4) 0.2821(3) 0.6735(4) 0.049(2) Uani 1 1 d . . . E 12
H3GA H 0.2467 0.2422 0.6621 0.059 Uiso 1 1 calc R U . E 12
C4GA C 0.2568(3) 0.3306(3) 0.7193(3) 0.0304(13) Uani 1 1 d . . . E 12
H4GA H 0.2269 0.3246 0.7400 0.036 Uiso 1 1 calc R U . E 12
C5GA C 0.2887(3) 0.3884(3) 0.7353(3) 0.0327(14) Uani 1 1 d . . . E 12
H5GA H 0.2809 0.4227 0.7670 0.039 Uiso 1 1 calc R U . E 12
C6GA C 0.3326(3) 0.3965(3) 0.7047(3) 0.0328(14) Uani 1 1 d . . . E 12
H6GA H 0.3539 0.4366 0.7158 0.039 Uiso 1 1 calc R U . E 12
C1HA C 0.4887(3) 0.3944(4) 0.6777(4) 0.0264(14) Uani 0.5 1 d G . P F 1
C2HA C 0.5408(4) 0.3728(4) 0.6599(3) 0.0424(16) Uani 0.5 1 d G . P F 1
H2HA H 0.5367 0.3443 0.6193 0.051 Uiso 0.5 1 calc R U P F 1
C3HA C 0.5989(3) 0.3928(5) 0.7015(4) 0.0424(16) Uani 0.5 1 d G . P F 1
H3HA H 0.6345 0.3779 0.6894 0.051 Uiso 0.5 1 calc R U P F 1
C4HA C 0.6049(3) 0.4344(5) 0.7609(4) 0.0424(16) Uani 0.5 1 d G . P F 1
H4HA H 0.6446 0.4481 0.7894 0.051 Uiso 0.5 1 calc R U P F 1
C5HA C 0.5528(4) 0.4561(4) 0.7787(3) 0.0424(16) Uani 0.5 1 d G . P F 1
H5HA H 0.5569 0.4846 0.8193 0.051 Uiso 0.5 1 calc R U P F 1
C6HA C 0.4947(3) 0.4361(4) 0.7371(4) 0.0424(16) Uani 0.5 1 d G . P F 1
H6HA H 0.4591 0.4509 0.7492 0.051 Uiso 0.5 1 calc R U P F 1
C1HB C 0.4794(3) 0.3957(3) 0.6732(4) 0.0264(14) Uani 0.5 1 d G . P G 2
C2HB C 0.5114(4) 0.3590(2) 0.6935(4) 0.027(3) Uani 0.5 1 d G . P G 2
H2HB H 0.4939 0.3170 0.6785 0.032 Uiso 0.5 1 calc R U P G 2
C3HB C 0.5691(4) 0.3837(3) 0.7358(4) 0.028(3) Uani 0.5 1 d G . P G 2
H3HB H 0.5910 0.3586 0.7497 0.034 Uiso 0.5 1 calc R U P G 2
C4HB C 0.5948(3) 0.4452(3) 0.7578(4) 0.031(3) Uani 0.5 1 d G . P G 2
H4HB H 0.6342 0.4621 0.7867 0.037 Uiso 0.5 1 calc R U P G 2
C5HB C 0.5628(4) 0.4819(2) 0.7375(4) 0.041(4) Uani 0.5 1 d G . P G 2
H5HB H 0.5803 0.5239 0.7525 0.049 Uiso 0.5 1 calc R U P G 2
C6HB C 0.5051(4) 0.4572(3) 0.6952(4) 0.040(3) Uani 0.5 1 d G . P G 2
H6HB H 0.4832 0.4823 0.6813 0.048 Uiso 0.5 1 calc R U P G 2
C1IA C 0.3854(5) 0.4198(4) 0.5908(5) 0.028(2) Uani 0.5 1 d G . P H 3
C2IA C 0.3432(5) 0.3993(3) 0.5348(5) 0.0486(19) Uani 0.5 1 d G . P H 3
H2IA H 0.3279 0.3568 0.5106 0.058 Uiso 0.5 1 calc R U P H 3
C3IA C 0.3233(5) 0.4409(5) 0.5142(4) 0.0486(19) Uani 0.5 1 d G . P H 3
H3IA H 0.2944 0.4268 0.4759 0.058 Uiso 0.5 1 calc R U P H 3
C4IA C 0.3456(6) 0.5030(4) 0.5495(5) 0.0486(19) Uani 0.5 1 d G . P H 3
H4IA H 0.3320 0.5315 0.5354 0.058 Uiso 0.5 1 calc R U P H 3
C5IA C 0.3879(6) 0.5236(3) 0.6056(5) 0.0486(19) Uani 0.5 1 d G . P H 3
H5IA H 0.4032 0.5661 0.6298 0.058 Uiso 0.5 1 calc R U P H 3
C6IA C 0.4078(5) 0.4820(4) 0.6262(4) 0.0486(19) Uani 0.5 1 d G . P H 3
H6IA H 0.4367 0.4960 0.6645 0.058 Uiso 0.5 1 calc R U P H 3
C1IB C 0.3728(5) 0.4109(4) 0.5790(4) 0.028(2) Uani 0.5 1 d G . P I 2
C2IB C 0.3645(5) 0.3907(3) 0.5171(4) 0.038(3) Uani 0.5 1 d G . P I 2
H2IB H 0.3725 0.3518 0.4934 0.046 Uiso 0.5 1 calc R U P I 2
C3IB C 0.3444(5) 0.4274(4) 0.4900(3) 0.042(3) Uani 0.5 1 d G . P I 2
H3IB H 0.3387 0.4136 0.4477 0.051 Uiso 0.5 1 calc R U P I 2
C4IB C 0.3326(4) 0.4844(4) 0.5247(4) 0.037(4) Uani 0.5 1 d G . P I 2
H4IB H 0.3189 0.5094 0.5062 0.045 Uiso 0.5 1 calc R U P I 2
C5IB C 0.3409(5) 0.5046(4) 0.5865(4) 0.042(4) Uani 0.5 1 d G . P I 2
H5IB H 0.3329 0.5435 0.6103 0.051 Uiso 0.5 1 calc R U P I 2
C6IB C 0.3610(5) 0.4679(4) 0.6137(3) 0.041(3) Uani 0.5 1 d G . P I 2
H6IB H 0.3667 0.4817 0.6559 0.049 Uiso 0.5 1 calc R U P I 2
O12 O 0.4279(3) 0.2720(3) 0.4561(2) 0.0533(15) Uani 1 1 d . . . J 4
H12 H 0.3935 0.2556 0.4299 0.080 Uiso 1 1 calc R U . J 4
Si12 Si 0.48012(9) 0.29302(9) 0.42602(7) 0.0361(4) Uani 1 1 d . . . J 4
C1JA C 0.5526(3) 0.3243(4) 0.4841(4) 0.0278(18) Uani 0.5 1 d G . P K 5
C2JA C 0.5821(4) 0.2788(3) 0.4901(4) 0.035(3) Uani 0.5 1 d G . P K 5
H2JA H 0.5625 0.2371 0.4664 0.042 Uiso 0.5 1 calc R U P K 5
C3JA C 0.6403(4) 0.2941(4) 0.5307(4) 0.040(3) Uani 0.5 1 d G . P K 5
H3JA H 0.6604 0.2630 0.5348 0.048 Uiso 0.5 1 calc R U P K 5
C4JA C 0.6690(4) 0.3551(4) 0.5654(4) 0.048(6) Uani 0.5 1 d G . P K 5
H4JA H 0.7087 0.3655 0.5932 0.058 Uiso 0.5 1 calc R U P K 5
C5JA C 0.6395(4) 0.4006(3) 0.5594(5) 0.050(4) Uani 0.5 1 d G . P K 5
H5JA H 0.6591 0.4423 0.5831 0.060 Uiso 0.5 1 calc R U P K 5
C6JA C 0.5813(4) 0.3853(3) 0.5188(5) 0.045(4) Uani 0.5 1 d G . P K 5
H6JA H 0.5612 0.4164 0.5147 0.054 Uiso 0.5 1 calc R U P K 5
C1JB C 0.5630(3) 0.3167(4) 0.4840(3) 0.0278(18) Uani 0.5 1 d G . P L 6
C2JB C 0.5662(3) 0.3204(4) 0.5413(4) 0.028(2) Uani 0.5 1 d G . P L 6
H2JB H 0.5305 0.3038 0.5495 0.033 Uiso 0.5 1 calc R U P L 6
C3JB C 0.6216(4) 0.3483(5) 0.5865(3) 0.036(3) Uani 0.5 1 d G . P L 6
H3JB H 0.6238 0.3508 0.6256 0.043 Uiso 0.5 1 calc R U P L 6
C4JB C 0.6738(3) 0.3725(5) 0.5744(4) 0.038(5) Uani 0.5 1 d G . P L 6
H4JB H 0.7117 0.3916 0.6053 0.046 Uiso 0.5 1 calc R U P L 6
C5JB C 0.6706(3) 0.3688(4) 0.5172(4) 0.038(3) Uani 0.5 1 d G . P L 6
H5JB H 0.7062 0.3853 0.5089 0.046 Uiso 0.5 1 calc R U P L 6
C6JB C 0.6151(4) 0.3409(4) 0.4720(3) 0.028(3) Uani 0.5 1 d G . P L 6
H6JB H 0.6129 0.3383 0.4328 0.034 Uiso 0.5 1 calc R U P L 6
C1KA C 0.4651(5) 0.3531(3) 0.4093(4) 0.031(2) Uani 0.5 1 d G . P M 7
C2KA C 0.4923(4) 0.4125(4) 0.4518(3) 0.031(2) Uani 0.5 1 d G . P M 7
H2KA H 0.5194 0.4197 0.4892 0.037 Uiso 0.5 1 calc R U P M 7
C3KA C 0.4797(5) 0.4613(3) 0.4395(4) 0.041(3) Uani 0.5 1 d G . P M 7
H3KA H 0.4983 0.5019 0.4686 0.049 Uiso 0.5 1 calc R U P M 7
C4KA C 0.4400(6) 0.4507(3) 0.3848(4) 0.053(7) Uani 0.5 1 d G . P M 7
H4KA H 0.4314 0.4841 0.3764 0.064 Uiso 0.5 1 calc R U P M 7
C5KA C 0.4128(5) 0.3913(4) 0.3422(3) 0.041(3) Uani 0.5 1 d G . P M 7
H5KA H 0.3856 0.3841 0.3048 0.049 Uiso 0.5 1 calc R U P M 7
C6KA C 0.4253(5) 0.3425(3) 0.3545(3) 0.034(3) Uani 0.5 1 d G . P M 7
H6KA H 0.4067 0.3019 0.3254 0.041 Uiso 0.5 1 calc R U P M 7
C1KB C 0.4583(4) 0.3643(4) 0.4068(5) 0.039(4) Uani 0.5 1 d G . P N 8
C2KB C 0.5060(3) 0.4044(5) 0.4053(5) 0.046(4) Uani 0.5 1 d G . P N 8
H2KB H 0.5480 0.3983 0.4119 0.055 Uiso 0.5 1 calc R U P N 8
C3KB C 0.4922(5) 0.4535(4) 0.3941(5) 0.051(4) Uani 0.5 1 d G . P N 8
H3KB H 0.5247 0.4810 0.3931 0.062 Uiso 0.5 1 calc R U P N 8
C4KB C 0.4307(5) 0.4625(4) 0.3845(6) 0.046(5) Uani 0.5 1 d G . P N 8
H4KB H 0.4213 0.4960 0.3768 0.056 Uiso 0.5 1 calc R U P N 8
C5KB C 0.3831(4) 0.4224(5) 0.3860(6) 0.057(4) Uani 0.5 1 d G . P N 8
H5KB H 0.3411 0.4285 0.3794 0.068 Uiso 0.5 1 calc R U P N 8
C6KB C 0.3969(4) 0.3733(5) 0.3971(5) 0.049(4) Uani 0.5 1 d G . P N 8
H6KB H 0.3643 0.3458 0.3982 0.059 Uiso 0.5 1 calc R U P N 8
C1LA C 0.4811(3) 0.2258(3) 0.3549(3) 0.0278(12) Uani 1 1 d . . . . .
C2LA C 0.5300(3) 0.2264(4) 0.3274(3) 0.0386(16) Uani 1 1 d . . . . .
H2LA H 0.5642 0.2601 0.3465 0.046 Uiso 1 1 calc R U . . .
C3LA C 0.5297(5) 0.1790(4) 0.2729(4) 0.059(3) Uani 1 1 d . . . . .
H3LA H 0.5638 0.1797 0.2550 0.070 Uiso 1 1 calc R U . . .
C4LA C 0.4788(5) 0.1302(4) 0.2444(4) 0.056(3) Uani 1 1 d . . . . .
H331 H 0.4773 0.0981 0.2062 0.068 Uiso 1 1 calc R U . . .
C5LA C 0.4315(4) 0.1285(3) 0.2713(3) 0.0382(16) Uani 1 1 d . . . . .
H5LA H 0.3975 0.0946 0.2520 0.046 Uiso 1 1 calc R U . . .
C6LA C 0.4319(3) 0.1752(3) 0.3264(3) 0.0271(12) Uani 1 1 d . . . . .
H6LA H 0.3987 0.1729 0.3449 0.033 Uiso 1 1 calc R U . . .
O13 O 0.61441(19) 1.30416(18) 0.96524(19) 0.0271(9) Uani 1 1 d . . . . .
H13 H 0.6397 1.3175 0.9993 0.041 Uiso 1 1 d R U . . .
Si13 Si 0.59573(7) 1.36165(7) 0.95196(7) 0.0212(3) Uani 1 1 d . . . . .
C1MA C 0.6575(3) 1.3909(3) 0.9240(3) 0.0274(13) Uani 1 1 d . . . . .
C2MA C 0.6786(6) 1.3492(3) 0.8780(5) 0.079(4) Uani 1 1 d . . . . .
H2MA H 0.6608 1.3071 0.8612 0.095 Uiso 1 1 calc R U . . .
C3MA C 0.7248(6) 1.3680(4) 0.8564(5) 0.090(3) Uani 1 1 d . . . . .
H3MA H 0.7382 1.3387 0.8246 0.108 Uiso 1 1 calc R U . . .
C4MA C 0.7526(6) 1.4298(4) 0.8807(5) 0.090(3) Uani 1 1 d . . . . .
H4MA H 0.7854 1.4423 0.8662 0.108 Uiso 1 1 calc R U . . .
C5MA C 0.7320(3) 1.4718(3) 0.9254(3) 0.0298(13) Uani 1 1 d . . . . .
H5MA H 0.7492 1.5140 0.9414 0.036 Uiso 1 1 calc R U . . .
C6MA C 0.6852(3) 1.4519(3) 0.9472(3) 0.0237(11) Uani 1 1 d . . . . .
H6MA H 0.6720 1.4812 0.9791 0.028 Uiso 1 1 calc R U . . .
C1NA C 0.5204(3) 1.3294(2) 0.8911(2) 0.0239(12) Uani 1 1 d . . . . .
C2NA C 0.4750(3) 1.2858(3) 0.8913(3) 0.0290(13) Uani 1 1 d . . . . .
H2NA H 0.4829 1.2724 0.9221 0.035 Uiso 1 1 calc R U . . .
C3NA C 0.4186(3) 1.2619(3) 0.8474(3) 0.0349(14) Uani 1 1 d . . . . .
H3NA H 0.3885 1.2321 0.8481 0.042 Uiso 1 1 calc R U . . .
C4NA C 0.4062(3) 1.2814(3) 0.8024(3) 0.0360(15) Uani 1 1 d . . . . .
H4NA H 0.3673 1.2657 0.7728 0.043 Uiso 1 1 calc R U . . .
C5NA C 0.4507(4) 1.3237(3) 0.8012(3) 0.0436(18) Uani 1 1 d . . . . .
H5NA H 0.4427 1.3367 0.7702 0.052 Uiso 1 1 calc R U . . .
C6NA C 0.5075(4) 1.3476(3) 0.8452(3) 0.0396(16) Uani 1 1 d . . . . .
H6NA H 0.5378 1.3768 0.8437 0.047 Uiso 1 1 calc R U . . .
C1OA C 0.5861(2) 1.4231(2) 1.0233(2) 0.0213(11) Uani 1 1 d . . . . .
C2OA C 0.5695(2) 1.4772(3) 1.0239(2) 0.0222(11) Uani 1 1 d . . . . .
H2OA H 0.5630 1.4822 0.9877 0.027 Uiso 1 1 calc R U . . .
C3OA C 0.5624(2) 1.5235(3) 1.0759(3) 0.0241(12) Uani 1 1 d . . . . .
H3OA H 0.5509 1.5596 1.0752 0.029 Uiso 1 1 calc R U . . .
C4OA C 0.5721(3) 1.5169(3) 1.1294(3) 0.0266(12) Uani 1 1 d . . . . .
H178 H 0.5673 1.5487 1.1653 0.032 Uiso 1 1 calc R U . . .
C5OA C 0.5884(3) 1.4645(3) 1.1300(3) 0.0317(14) Uani 1 1 d . . . . .
H5OA H 0.5952 1.4601 1.1665 0.038 Uiso 1 1 calc R U . . .
C6OA C 0.5953(3) 1.4174(3) 1.0771(3) 0.0295(13) Uani 1 1 d . . . . .
H6OA H 0.6063 1.3811 1.0780 0.035 Uiso 1 1 calc R U . . .
O14 O 0.6780(2) 1.2900(3) 1.0589(2) 0.0435(12) Uani 1 1 d . . . . .
H14 H 0.6550 1.2657 1.0658 0.065 Uiso 1 1 calc R U . . .
Si14 Si 0.74650(7) 1.31420(9) 1.10892(8) 0.0315(4) Uani 1 1 d . . . . .
C1PA C 0.7404(3) 1.3785(3) 1.1792(3) 0.0297(14) Uani 1 1 d . . . . .
C2PA C 0.7910(3) 1.4258(3) 1.2169(4) 0.046(2) Uani 1 1 d . . . . .
H2PA H 0.8295 1.4265 1.2056 0.055 Uiso 1 1 calc R U . . .
C3PA C 0.7866(4) 1.4717(3) 1.2704(5) 0.066(3) Uani 1 1 d . . . . .
H3PA H 0.8218 1.5034 1.2951 0.080 Uiso 1 1 calc R U . . .
C4PA C 0.7310(4) 1.4717(3) 1.2885(4) 0.050(2) Uani 1 1 d . . . . .
H4PA H 0.7279 1.5031 1.3254 0.060 Uiso 1 1 calc R U . . .
C5PA C 0.6802(3) 1.4253(3) 1.2515(3) 0.0386(16) Uani 1 1 d . . . . .
H5PA H 0.6419 1.4247 1.2633 0.046 Uiso 1 1 calc R U . . .
C6PA C 0.6844(3) 1.3802(3) 1.1983(3) 0.0362(15) Uani 1 1 d . . . . .
H6PA H 0.6486 1.3491 1.1735 0.043 Uiso 1 1 calc R U . . .
C1QA C 0.8040(3) 1.3409(3) 1.0745(3) 0.0358(15) Uani 1 1 d . . . . .
C2QA C 0.8630(4) 1.3278(6) 1.0790(6) 0.093(4) Uani 1 1 d . . . . .
H2QA H 0.8745 1.3020 1.0973 0.112 Uiso 1 1 calc R U . . .
C3QA C 0.9066(4) 1.3522(6) 1.0570(6) 0.099(5) Uani 1 1 d . . . . .
H3QA H 0.9485 1.3459 1.0637 0.119 Uiso 1 1 calc R U . . .
C4QA C 0.8888(3) 1.3848(3) 1.0258(3) 0.0407(16) Uani 1 1 d . . . . .
H4QA H 0.9175 1.3991 1.0085 0.049 Uiso 1 1 calc R U . . .
C5QA C 0.8298(3) 1.3970(3) 1.0197(3) 0.0337(14) Uani 1 1 d . . . . .
H5QA H 0.8176 1.4204 0.9987 0.040 Uiso 1 1 calc R U . . .
C6QA C 0.7874(3) 1.3755(3) 1.0438(3) 0.0364(15) Uani 1 1 d . . . . .
H6QA H 0.7465 1.3844 1.0393 0.044 Uiso 1 1 calc R U . . .
C1RA C 0.7702(3) 1.2515(3) 1.1266(3) 0.0285(13) Uani 1 1 d . . . . .
C2RA C 0.8020(5) 1.2613(3) 1.1827(4) 0.074(3) Uani 1 1 d . . . . .
H2RA H 0.8126 1.3018 1.2140 0.089 Uiso 1 1 calc R U . . .
C3RA C 0.8198(6) 1.2145(4) 1.1961(4) 0.071(3) Uani 1 1 d . . . . .
H3RA H 0.8409 1.2233 1.2362 0.086 Uiso 1 1 calc R U . . .
C4RA C 0.8071(3) 1.1560(3) 1.1521(3) 0.0359(15) Uani 1 1 d . . . . .
H4RA H 0.8211 1.1241 1.1603 0.043 Uiso 1 1 calc R U . . .
C5RA C 0.7742(6) 1.1451(5) 1.0971(4) 0.101(5) Uani 1 1 d . . . . .
H5RA H 0.7623 1.1044 1.0663 0.121 Uiso 1 1 calc R U . . .
C6RA C 0.7569(5) 1.1928(5) 1.0841(4) 0.090(4) Uani 1 1 d . . . . .
H6RA H 0.7350 1.1836 1.0441 0.108 Uiso 1 1 calc R U . . .
O15 O 0.5724(2) 1.2185(2) 1.0409(2) 0.0364(11) Uani 1 1 d . . . . .
H15 H 0.5653 1.1945 1.0040 0.055 Uiso 1 1 calc R U . . .
Si15 Si 0.51885(7) 1.19728(7) 1.06956(7) 0.0229(3) Uani 1 1 d . . . . .
C1SA C 0.4414(3) 1.1670(3) 1.0115(3) 0.0258(12) Uani 1 1 d . . . . .
C2SA C 0.3865(3) 1.1596(3) 1.0289(2) 0.0243(12) Uani 1 1 d . . . . .
H2SA H 0.3889 1.1691 1.0701 0.029 Uiso 1 1 calc R U . . .
C3SA C 0.3289(3) 1.1387(3) 0.9879(3) 0.0274(12) Uani 1 1 d . . . . .
H3SA H 0.2921 1.1338 1.0009 0.033 Uiso 1 1 calc R U . . .
C4SA C 0.3239(3) 1.1247(3) 0.9277(3) 0.0319(14) Uani 1 1 d . . . . .
H4SA H 0.2839 1.1109 0.8996 0.038 Uiso 1 1 calc R U . . .
C5SA C 0.3781(3) 1.1311(3) 0.9090(3) 0.0330(14) Uani 1 1 d . . . . .
H5SA H 0.3753 1.1214 0.8677 0.040 Uiso 1 1 calc R U . . .
C6SA C 0.4370(3) 1.1519(3) 0.9507(3) 0.0284(13) Uani 1 1 d . . . . .
H6SA H 0.4739 1.1557 0.9375 0.034 Uiso 1 1 calc R U . . .
C1TA C 0.5143(3) 1.2675(3) 1.1356(3) 0.0250(12) Uani 1 1 d . . . . .
C2TA C 0.4977(3) 1.3177(3) 1.1266(3) 0.0292(13) Uani 1 1 d . . . . .
H2TA H 0.4891 1.3157 1.0872 0.035 Uiso 1 1 calc R U . . .
C3TA C 0.4938(3) 1.3705(3) 1.1756(3) 0.0358(15) Uani 1 1 d . . . . .
H3TA H 0.4831 1.4045 1.1695 0.043 Uiso 1 1 calc R U . . .
C4TA C 0.5055(3) 1.3736(3) 1.2326(3) 0.0361(15) Uani 1 1 d . . . . .
H4TA H 0.5020 1.4095 1.2654 0.043 Uiso 1 1 calc R U . . .
C5TA C 0.5221(3) 1.3256(3) 1.2429(3) 0.0364(15) Uani 1 1 d . . . . .
H5TA H 0.5304 1.3283 1.2825 0.044 Uiso 1 1 calc R U . . .
C6TA C 0.5267(3) 1.2729(3) 1.1946(3) 0.0266(12) Uani 1 1 d . . . . .
H6TA H 0.5385 1.2398 1.2018 0.032 Uiso 1 1 calc R U . . .
C1UA C 0.5443(3) 1.1382(3) 1.0936(3) 0.0269(12) Uani 1 1 d . . . . .
C2UA C 0.5043(3) 1.0843(3) 1.0789(3) 0.0401(16) Uani 1 1 d . . . . .
H2UA H 0.4621 1.0767 1.0567 0.048 Uiso 1 1 calc R U . . .
C3UA C 0.5258(4) 1.0410(4) 1.0967(4) 0.053(2) Uani 1 1 d . . . . .
H3UA H 0.4979 1.0041 1.0859 0.064 Uiso 1 1 calc R U . . .
C4UA C 0.5867(4) 1.0508(4) 1.1297(3) 0.0459(18) Uani 1 1 d . . . . .
H4UA H 0.6006 1.0214 1.1422 0.055 Uiso 1 1 calc R U . . .
C5UA C 0.6265(4) 1.1039(3) 1.1439(3) 0.0473(19) Uani 1 1 d . . . . .
H5UA H 0.6686 1.1113 1.1663 0.057 Uiso 1 1 calc R U . . .
C6UA C 0.6061(3) 1.1468(3) 1.1262(3) 0.0390(16) Uani 1 1 d . . . . .
H6UA H 0.6347 1.1831 1.1365 0.047 Uiso 1 1 calc R U . . .
O16 O 0.5822(2) 1.18548(18) 0.92902(19) 0.0301(9) Uani 1 1 d . . . . .
H16 H 0.5949 1.2184 0.9282 0.045 Uiso 1 1 calc R U . . .
Si16 Si 0.60066(7) 1.12896(6) 0.87532(6) 0.0189(3) Uani 1 1 d . . . . .
C1VA C 0.6596(2) 1.1624(2) 0.8478(2) 0.0193(11) Uani 1 1 d . . . . .
C2VA C 0.6514(3) 1.1505(3) 0.7873(2) 0.0232(11) Uani 1 1 d . . . . .
H2VA H 0.6143 1.1241 0.7585 0.028 Uiso 1 1 calc R U . . .
C3VA C 0.6961(3) 1.1761(3) 0.7681(3) 0.0252(12) Uani 1 1 d . . . . .
H3VA H 0.6897 1.1670 0.7266 0.030 Uiso 1 1 calc R U . . .
C4VA C 0.7496(3) 1.2146(3) 0.8093(3) 0.0324(14) Uani 1 1 d . . . . .
H4VA H 0.7803 1.2323 0.7963 0.039 Uiso 1 1 calc R U . . .
C5VA C 0.7587(3) 1.2277(4) 0.8697(3) 0.0454(19) Uani 1 1 d . . . . .
H5VA H 0.7957 1.2545 0.8983 0.054 Uiso 1 1 calc R U . . .
C6VA C 0.7139(3) 1.2019(3) 0.8886(3) 0.0342(15) Uani 1 1 d . . . . .
H6VA H 0.7205 1.2113 0.9302 0.041 Uiso 1 1 calc R U . . .
C1WA C 0.6339(3) 1.0774(2) 0.9058(2) 0.0225(11) Uani 1 1 d . . . . .
C2WA C 0.6221(5) 1.0744(3) 0.9572(3) 0.050(2) Uani 1 1 d . . . . .
H2WA H 0.5990 1.1020 0.9798 0.060 Uiso 1 1 calc R U . . .
C3WA C 0.6432(5) 1.0325(3) 0.9760(3) 0.053(2) Uani 1 1 d . . . . .
H3WA H 0.6339 1.0311 1.0108 0.064 Uiso 1 1 calc R U . . .
C4WA C 0.6777(3) 0.9928(3) 0.9446(3) 0.0437(19) Uani 1 1 d . . . . .
H4WA H 0.6918 0.9635 0.9573 0.052 Uiso 1 1 calc R U . . .
C5WA C 0.6917(3) 0.9958(3) 0.8944(3) 0.0334(14) Uani 1 1 d . . . . .
H5WA H 0.7164 0.9693 0.8730 0.040 Uiso 1 1 calc R U . . .
C6WA C 0.6695(3) 1.0379(3) 0.8753(3) 0.0261(12) Uani 1 1 d . . . . .
H6WA H 0.6790 1.0394 0.8406 0.031 Uiso 1 1 calc R U . . .
C1ZA C 0.5289(2) 1.0856(2) 0.8132(2) 0.0195(11) Uani 1 1 d . . . . .
C2ZA C 0.4842(3) 1.1164(3) 0.7954(3) 0.0301(13) Uani 1 1 d . . . . .
H2ZA H 0.4910 1.1597 0.8158 0.036 Uiso 1 1 calc R U . . .
C3ZA C 0.4310(3) 1.0851(3) 0.7490(3) 0.0364(15) Uani 1 1 d . . . . .
H3ZA H 0.4016 1.1068 0.7377 0.044 Uiso 1 1 calc R U . . .
C4ZA C 0.4203(3) 1.0214(3) 0.7185(3) 0.0358(15) Uani 1 1 d . . . . .
H4ZA H 0.3838 0.9998 0.6864 0.043 Uiso 1 1 calc R U . . .
C5ZA C 0.4629(3) 0.9901(3) 0.7352(3) 0.0384(16) Uani 1 1 d . . . . .
H5ZA H 0.4559 0.9469 0.7147 0.046 Uiso 1 1 calc R U . . .
C6ZA C 0.5161(3) 1.0222(3) 0.7821(3) 0.0313(14) Uani 1 1 d . . . . .
H6ZA H 0.5450 1.0001 0.7934 0.038 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 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
Si1 O1 H1 109.4 . . ?
O1 Si1 C1B 109.8(2) . . ?
O1 Si1 C1A 107.7(2) . . ?
C1B Si1 C1A 108.9(2) . . ?
O1 Si1 C1C 110.6(2) . . ?
C1B Si1 C1C 110.6(2) . . ?
C1A Si1 C1C 109.2(2) . . ?
C6A C1A C2A 117.5(5) . . ?
C6A C1A Si1 123.6(4) . . ?
C2A C1A Si1 118.8(4) . . ?
C3A C2A C1A 121.3(5) . . ?
C3A C2A H2A 119.3 . . ?
C1A C2A H2A 119.3 . . ?
C4A C3A C2A 120.0(5) . . ?
C4A C3A H3A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C3A C4A C5A 119.9(5) . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A C6A 120.1(6) . . ?
C4A C5A H5A 119.9 . . ?
C6A C5A H5A 119.9 . . ?
C5A C6A C1A 121.1(5) . . ?
C5A C6A H6A 119.5 . . ?
C1A C6A H6A 119.5 . . ?
C6B C1B C2B 116.7(5) . . ?
C6B C1B Si1 121.8(4) . . ?
C2B C1B Si1 121.4(4) . . ?
C3B C2B C1B 121.5(5) . . ?
C3B C2B H2B 119.3 . . ?
C1B C2B H2B 119.3 . . ?
C2B C3B C4B 120.5(5) . . ?
C2B C3B H3B 119.8 . . ?
C4B C3B H3B 119.8 . . ?
C5B C4B C3B 119.0(5) . . ?
C5B C4B H4B 120.5 . . ?
C3B C4B H4B 120.5 . . ?
C4B C5B C6B 120.7(5) . . ?
C4B C5B H5B 119.6 . . ?
C6B C5B H5B 119.6 . . ?
C5B C6B C1B 121.6(5) . . ?
C5B C6B H6B 119.2 . . ?
C1B C6B H6B 119.2 . . ?
C2C C1C C6C 118.1(5) . . ?
C2C C1C Si1 123.4(4) . . ?
C6C C1C Si1 118.5(4) . . ?
C1C C2C C3C 120.7(5) . . ?
C1C C2C H2C 119.6 . . ?
C3C C2C H2C 119.6 . . ?
C4C C3C C2C 120.1(5) . . ?
C4C C3C H3C 119.9 . . ?
C2C C3C H3C 119.9 . . ?
C3C C4C C5C 119.7(5) . . ?
C3C C4C H4C 120.1 . . ?
C5C C4C H4C 120.1 . . ?
C4C C5C C6C 120.1(6) . . ?
C4C C5C H5C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C5C C6C C1C 121.2(6) . . ?
C5C C6C H6C 119.4 . . ?
C1C C6C H6C 119.4 . . ?
Si2 O2 H2 109.4 . . ?
O2 Si2 C1F 104.7(2) . . ?
O2 Si2 C1E 110.2(2) . . ?
C1F Si2 C1E 112.2(3) . . ?
O2 Si2 C1D 111.4(2) . . ?
C1F Si2 C1D 110.8(2) . . ?
C1E Si2 C1D 107.6(2) . . ?
C2D C1D C6D 117.2(5) . . ?
C2D C1D Si2 121.4(4) . . ?
C6D C1D Si2 121.3(5) . . ?
C3D C2D C1D 121.9(6) . . ?
C3D C2D H2D 119.1 . . ?
C1D C2D H2D 119.1 . . ?
C2D C3D C4D 119.7(6) . . ?
C2D C3D H3D 120.1 . . ?
C4D C3D H3D 120.1 . . ?
C5D C4D C3D 120.2(6) . . ?
C5D C4D H4D 119.9 . . ?
C3D C4D H4D 119.9 . . ?
C4D C5D C6D 120.0(6) . . ?
C4D C5D H5D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C5D C6D C1D 121.0(6) . . ?
C5D C6D H6D 119.5 . . ?
C1D C6D H6D 119.5 . . ?
C2E C1E C6E 116.2(6) . . ?
C2E C1E Si2 121.0(5) . . ?
C6E C1E Si2 122.4(4) . . ?
C3E C2E C1E 121.3(7) . . ?
C3E C2E H2E 119.3 . . ?
C1E C2E H2E 119.3 . . ?
C4E C3E C2E 120.6(7) . . ?
C4E C3E H3E 119.7 . . ?
C2E C3E H3E 119.7 . . ?
C5E C4E C3E 119.0(6) . . ?
C5E C4E H4E 120.5 . . ?
C3E C4E H4E 120.5 . . ?
C4E C5E C6E 120.5(7) . . ?
C4E C5E H5E 119.8 . . ?
C6E C5E H5E 119.8 . . ?
C5E C6E C1E 122.3(6) . . ?
C5E C6E H6E 118.9 . . ?
C1E C6E H6E 118.9 . . ?
C2F C1F C6F 115.9(6) . . ?
C2F C1F Si2 121.7(4) . . ?
C6F C1F Si2 122.4(5) . . ?
C1F C2F C3F 121.5(6) . . ?
C1F C2F H2F 119.2 . . ?
C3F C2F H2F 119.2 . . ?
C4F C3F C2F 120.4(7) . . ?
C4F C3F H3F 119.8 . . ?
C2F C3F H3F 119.8 . . ?
C5F C4F C3F 118.8(6) . . ?
C5F C4F H4F 120.6 . . ?
C3F C4F H4F 120.6 . . ?
C4F C5F C6F 120.4(7) . . ?
C4F C5F H5F 119.8 . . ?
C6F C5F H5F 119.8 . . ?
C1F C6F C5F 122.6(7) . . ?
C1F C6F H6F 118.7 . . ?
C5F C6F H6F 118.7 . . ?
Si3 O3 H3 109.6 . . ?
O3 Si3 C1H 108.6(2) . . ?
O3 Si3 C1G 108.9(2) . . ?
C1H Si3 C1G 109.2(3) . . ?
O3 Si3 C1I 106.1(2) . . ?
C1H Si3 C1I 112.3(3) . . ?
C1G Si3 C1I 111.6(2) . . ?
C2G C1G C6G 117.7(5) . . ?
C2G C1G Si3 123.3(5) . . ?
C6G C1G Si3 119.0(4) . . ?
C1G C2G C3G 121.2(6) . . ?
C1G C2G H2G 119.4 . . ?
C3G C2G H2G 119.4 . . ?
C4G C3G C2G 120.2(6) . . ?
C4G C3G H3G 119.9 . . ?
C2G C3G H3G 119.9 . . ?
C5G C4G C3G 119.5(6) . . ?
C5G C4G H4G 120.3 . . ?
C3G C4G H4G 120.3 . . ?
C4G C5G C6G 120.4(7) . . ?
C4G C5G H5G 119.8 . . ?
C6G C5G H5G 119.8 . . ?
C5G C6G C1G 121.1(6) . . ?
C5G C6G H6G 119.5 . . ?
C1G C6G H6G 119.5 . . ?
C6H C1H C2H 115.3(7) . . ?
C6H C1H Si3 119.9(5) . . ?
C2H C1H Si3 124.8(6) . . ?
C1H C2H C3H 122.1(9) . . ?
C1H C2H H2H 118.9 . . ?
C3H C2H H2H 118.9 . . ?
C4H C3H C2H 120.0(9) . . ?
C4H C3H H3H 120.0 . . ?
C2H C3H H3H 120.0 . . ?
C5H C4H C3H 119.1(8) . . ?
C5H C4H H4H 120.4 . . ?
C3H C4H H4H 120.4 . . ?
C4H C5H C6H 119.0(9) . . ?
C4H C5H H5H 120.5 . . ?
C6H C5H H5H 120.5 . . ?
C1H C6H C5H 124.1(8) . . ?
C1H C6H H6H 117.9 . . ?
C5H C6H H6H 117.9 . . ?
C2I C1I C6I 118.0(5) . . ?
C2I C1I Si3 120.9(4) . . ?
C6I C1I Si3 121.1(4) . . ?
C3I C2I C1I 121.1(5) . . ?
C3I C2I H2I 119.5 . . ?
C1I C2I H2I 119.5 . . ?
C2I C3I C4I 120.7(6) . . ?
C2I C3I H3I 119.6 . . ?
C4I C3I H3I 119.6 . . ?
C3I C4I C5I 119.3(6) . . ?
C3I C4I H4I 120.4 . . ?
C5I C4I H4I 120.4 . . ?
C6I C5I C4I 119.7(6) . . ?
C6I C5I H5I 120.2 . . ?
C4I C5I H5I 120.2 . . ?
C5I C6I C1I 121.2(6) . . ?
C5I C6I H6I 119.4 . . ?
C1I C6I H6I 119.4 . . ?
Si4 O4 H4 109.5 . . ?
O4 Si4 C1L 107.5(2) . . ?
O4 Si4 C1K 110.3(2) . . ?
C1L Si4 C1K 110.4(2) . . ?
O4 Si4 C1J 106.8(2) . . ?
C1L Si4 C1J 113.8(2) . . ?
C1K Si4 C1J 108.0(2) . . ?
C2J C1J C6J 116.5(6) . . ?
C2J C1J Si4 122.8(5) . . ?
C6J C1J Si4 120.5(4) . . ?
C1J C2J C3J 122.2(7) . . ?
C1J C2J H2J 118.9 . . ?
C3J C2J H2J 118.9 . . ?
C4J C3J C2J 121.0(7) . . ?
C4J C3J H3J 119.5 . . ?
C2J C3J H3J 119.5 . . ?
C3J C4J C5J 118.2(6) . . ?
C3J C4J H4J 120.9 . . ?
C5J C4J H4J 120.9 . . ?
C4J C5J C6J 121.3(7) . . ?
C4J C5J H5J 119.3 . . ?
C6J C5J H5J 119.3 . . ?
C1J C6J C5J 120.7(6) . . ?
C1J C6J H6J 119.6 . . ?
C5J C6J H6J 119.6 . . ?
C6K C1K C2K 117.2(5) . . ?
C6K C1K Si4 119.7(4) . . ?
C2K C1K Si4 123.1(4) . . ?
C3K C2K C1K 121.4(5) . . ?
C3K C2K H2K 119.3 . . ?
C1K C2K H2K 119.3 . . ?
C4K C3K C2K 120.2(6) . . ?
C4K C3K H3K 119.9 . . ?
C2K C3K H3K 119.9 . . ?
C3K C4K C5K 119.6(5) . . ?
C3K C4K H4K 120.2 . . ?
C5K C4K H4K 120.2 . . ?
C6K C5K C4K 119.8(5) . . ?
C6K C5K H5K 120.1 . . ?
C4K C5K H5K 120.1 . . ?
C5K C6K C1K 121.7(5) . . ?
C5K C6K H6K 119.1 . . ?
C1K C6K H6K 119.1 . . ?
C2L C1L C6L 118.1(5) . . ?
C2L C1L Si4 121.8(4) . . ?
C6L C1L Si4 120.1(4) . . ?
C1L C2L C3L 120.5(5) . . ?
C1L C2L H2L 119.7 . . ?
C3L C2L H2L 119.7 . . ?
C4L C3L C2L 120.5(5) . . ?
C4L C3L H3L 119.7 . . ?
C2L C3L H3L 119.7 . . ?
C5L C4L C3L 119.9(5) . . ?
C5L C4L H4L 120.1 . . ?
C3L C4L H4L 120.1 . . ?
C4L C5L C6L 119.8(5) . . ?
C4L C5L H5L 120.1 . . ?
C6L C5L H5L 120.1 . . ?
C5L C6L C1L 121.2(5) . . ?
C5L C6L H6L 119.4 . . ?
C1L C6L H6L 119.4 . . ?
Si5 O5 H5 109.4 . . ?
O5 Si5 C1O 107.2(2) . . ?
O5 Si5 C1M 108.8(2) . . ?
C1O Si5 C1M 111.4(2) . . ?
O5 Si5 C1N 109.7(2) . . ?
C1O Si5 C1N 108.8(2) . . ?
C1M Si5 C1N 110.9(2) . . ?
C6M C1M C2M 116.5(6) . . ?
C6M C1M Si5 121.0(4) . . ?
C2M C1M Si5 122.5(5) . . ?
C3M C2M C1M 121.4(7) . . ?
C3M C2M H2M 119.3 . . ?
C1M C2M H2M 119.3 . . ?
C4M C3M C2M 121.0(7) . . ?
C4M C3M H3M 119.5 . . ?
C2M C3M H3M 119.5 . . ?
C3M C4M C5M 119.7(6) . . ?
C3M C4M H4M 120.2 . . ?
C5M C4M H4M 120.2 . . ?
C4M C5M C6M 119.5(6) . . ?
C4M C5M H5M 120.3 . . ?
C6M C5M H5M 120.3 . . ?
C5M C6M C1M 122.0(6) . . ?
C5M C6M H6M 119.0 . . ?
C1M C6M H6M 119.0 . . ?
C6N C1N C2N 116.6(5) . . ?
C6N C1N Si5 123.5(4) . . ?
C2N C1N Si5 119.9(4) . . ?
C3N C2N C1N 121.2(5) . . ?
C3N C2N H2N 119.4 . . ?
C1N C2N H2N 119.4 . . ?
C4N C3N C2N 119.9(6) . . ?
C4N C3N H3N 120.1 . . ?
C2N C3N H3N 120.1 . . ?
C5N C4N C3N 119.6(6) . . ?
C5N C4N H4N 120.2 . . ?
C3N C4N H4N 120.2 . . ?
C4N C5N C6N 120.1(6) . . ?
C4N C5N H5N 120.0 . . ?
C6N C5N H5N 120.0 . . ?
C5N C6N C1N 122.6(6) . . ?
C5N C6N H6N 118.7 . . ?
C1N C6N H6N 118.7 . . ?
C6O C1O C2O 117.2(5) . . ?
C6O C1O Si5 121.5(4) . . ?
C2O C1O Si5 121.3(4) . . ?
C3O C2O C1O 121.1(6) . . ?
C3O C2O H2O 119.5 . . ?
C1O C2O H2O 119.5 . . ?
C2O C3O C4O 120.3(6) . . ?
C2O C3O H3O 119.9 . . ?
C4O C3O H3O 119.9 . . ?
C5O C4O C3O 119.6(6) . . ?
C5O C4O H4O 120.2 . . ?
C3O C4O H4O 120.2 . . ?
C4O C5O C6O 119.9(6) . . ?
C4O C5O H5O 120.1 . . ?
C6O C5O H5O 120.1 . . ?
C1O C6O C5O 122.0(6) . . ?
C1O C6O H6O 119.0 . . ?
C5O C6O H6O 119.0 . . ?
Si6 O6 H6 109.4 . . ?
O6 Si6 C1R 105.4(2) . . ?
O6 Si6 C1P 110.7(2) . . ?
C1R Si6 C1P 109.5(2) . . ?
O6 Si6 C1Q 108.5(2) . . ?
C1R Si6 C1Q 112.7(2) . . ?
C1P Si6 C1Q 110.0(2) . . ?
C6P C1P C2P 118.0(5) . . ?
C6P C1P Si6 123.9(4) . . ?
C2P C1P Si6 118.0(4) . . ?
C3P C2P C1P 121.0(5) . . ?
C3P C2P H2P 119.5 . . ?
C1P C2P H2P 119.5 . . ?
C4P C3P C2P 120.3(5) . . ?
C4P C3P H3P 119.8 . . ?
C2P C3P H3P 119.8 . . ?
C3P C4P C5P 119.8(5) . . ?
C3P C4P H4P 120.1 . . ?
C5P C4P H4P 120.1 . . ?
C6P C5P C4P 119.7(5) . . ?
C6P C5P H5P 120.2 . . ?
C4P C5P H5P 120.2 . . ?
C5P C6P C1P 121.2(5) . . ?
C5P C6P H6P 119.4 . . ?
C1P C6P H6P 119.4 . . ?
C2Q C1Q C6Q 117.2(5) . . ?
C2Q C1Q Si6 123.0(4) . . ?
C6Q C1Q Si6 119.8(4) . . ?
C1Q C2Q C3Q 121.9(5) . . ?
C1Q C2Q H2Q 119.1 . . ?
C3Q C2Q H2Q 119.1 . . ?
C4Q C3Q C2Q 120.0(5) . . ?
C4Q C3Q H3Q 120.0 . . ?
C2Q C3Q H3Q 120.0 . . ?
C3Q C4Q C5Q 119.9(5) . . ?
C3Q C4Q H4Q 120.1 . . ?
C5Q C4Q H4Q 120.1 . . ?
C4Q C5Q C6Q 119.7(5) . . ?
C4Q C5Q H5Q 120.1 . . ?
C6Q C5Q H5Q 120.1 . . ?
C5Q C6Q C1Q 121.3(5) . . ?
C5Q C6Q H6Q 119.3 . . ?
C1Q C6Q H6Q 119.3 . . ?
C2R C1R C6R 117.5(5) . . ?
C2R C1R Si6 122.3(4) . . ?
C6R C1R Si6 120.2(4) . . ?
C3R C2R C1R 121.8(5) . . ?
C3R C2R H2R 119.1 . . ?
C1R C2R H2R 119.1 . . ?
C2R C3R C4R 120.0(5) . . ?
C2R C3R H3R 120.0 . . ?
C4R C3R H3R 120.0 . . ?
C5R C4R C3R 119.5(5) . . ?
C5R C4R H4R 120.2 . . ?
C3R C4R H4R 120.2 . . ?
C4R C5R C6R 120.4(5) . . ?
C4R C5R H5R 119.8 . . ?
C6R C5R H5R 119.8 . . ?
C5R C6R C1R 120.9(5) . . ?
C5R C6R H6R 119.5 . . ?
C1R C6R H6R 119.5 . . ?
Si7 O7 H7 109.1 . . ?
O7 Si7 C1UU 111.2(4) . . ?
O7 Si7 C1T 106.2(2) . . ?
C1UU Si7 C1T 109.0(4) . . ?
O7 Si7 C1S 109.9(2) . . ?
C1UU Si7 C1S 108.4(3) . . ?
C1T Si7 C1S 112.1(3) . . ?
O7 Si7 C1U 109(2) . . ?
C1T Si7 C1U 109(2) . . ?
C1S Si7 C1U 111(2) . . ?
O7 Si7 C1UR 108.4(7) . . ?
C1T Si7 C1UR 112.9(8) . . ?
C1S Si7 C1UR 107.3(7) . . ?
C6S C1S C2S 118.3(6) . . ?
C6S C1S Si7 121.4(5) . . ?
C2S C1S Si7 120.1(5) . . ?
C3S C2S C1S 120.6(6) . . ?
C3S C2S H2S 119.7 . . ?
C1S C2S H2S 119.7 . . ?
C4S C3S C2S 120.1(7) . . ?
C4S C3S H3S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C5S C4S C3S 120.2(6) . . ?
C5S C4S H4S 119.9 . . ?
C3S C4S H4S 119.9 . . ?
C4S C5S C6S 120.1(6) . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C1S C6S C5S 120.8(6) . . ?
C1S C6S H6S 119.6 . . ?
C5S C6S H6S 119.6 . . ?
C2T C1T C6T 116.5(6) . . ?
C2T C1T Si7 121.3(5) . . ?
C6T C1T Si7 122.2(5) . . ?
C1T C2T C3T 121.6(7) . . ?
C1T C2T H2T 119.2 . . ?
C3T C2T H2T 119.2 . . ?
C4T C3T C2T 121.2(7) . . ?
C4T C3T H3T 119.4 . . ?
C2T C3T H3T 119.4 . . ?
C5T C4T C3T 118.0(7) . . ?
C5T C4T H4T 121.0 . . ?
C3T C4T H4T 121.0 . . ?
C4T C5T C6T 121.5(6) . . ?
C4T C5T H5T 119.2 . . ?
C6T C5T H5T 119.2 . . ?
C1T C6T C5T 121.1(6) . . ?
C1T C6T H6T 119.4 . . ?
C5T C6T H6T 119.4 . . ?
C2U C1U C6U 112(5) . . ?
C2U C1U Si7 125(4) . . ?
C6U C1U Si7 124(5) . . ?
C3U C2U C1U 125(3) . . ?
C3U C2U H2U 117.3 . . ?
C1U C2U H2U 117.3 . . ?
C4U C3U C2U 124(3) . . ?
C4U C3U H3U 118.2 . . ?
C2U C3U H3U 118.2 . . ?
C3U C4U C5U 117(4) . . ?
C3U C4U H4U 121.5 . . ?
C5U C4U H4U 121.5 . . ?
C4U C5U C6U 121(4) . . ?
C4U C5U H5U 119.6 . . ?
C6U C5U H5U 119.6 . . ?
C1U C6U C5U 120(5) . . ?
C1U C6U H6U 119.8 . . ?
C5U C6U H6U 119.8 . . ?
C2UR C1UR C6UR 120.0 . . ?
C2UR C1UR Si7 122.1(10) . . ?
C6UR C1UR Si7 117.7(10) . . ?
C3UR C2UR C1UR 120.0 . . ?
C3UR C2UR H2UR 120.0 . . ?
C1UR C2UR H2UR 120.0 . . ?
C2UR C3UR C4UR 120.0 . . ?
C2UR C3UR H3UR 120.0 . . ?
C4UR C3UR H3UR 120.0 . . ?
C5UR C4UR C3UR 120.0 . . ?
C5UR C4UR H4UR 120.0 . . ?
C3UR C4UR H4UR 120.0 . . ?
C6UR C5UR C4UR 120.0 . . ?
C6UR C5UR H5UR 120.0 . . ?
C4UR C5UR H5UR 120.0 . . ?
C5UR C6UR C1UR 120.0 . . ?
C5UR C6UR H6UR 120.0 . . ?
C1UR C6UR H6UR 120.0 . . ?
C2UU C1UU C6UU 120.0 . . ?
C2UU C1UU Si7 118.2(5) . . ?
C6UU C1UU Si7 121.8(5) . . ?
C3UU C2UU C1UU 120.0 . . ?
C3UU C2UU H2UU 120.0 . . ?
C1UU C2UU H2UU 120.0 . . ?
C4UU C3UU C2UU 120.0 . . ?
C4UU C3UU H3UU 120.0 . . ?
C2UU C3UU H3UU 120.0 . . ?
C5UU C4UU C3UU 120.0 . . ?
C5UU C4UU H4UU 120.0 . . ?
C3UU C4UU H4UU 120.0 . . ?
C6UU C5UU C4UU 120.0 . . ?
C6UU C5UU H5UU 120.0 . . ?
C4UU C5UU H5UU 120.0 . . ?
C5UU C6UU C1UU 120.0 . . ?
C5UU C6UU H6UU 120.0 . . ?
C1UU C6UU H6UU 120.0 . . ?
Si8 O8 H8 109.2 . . ?
O8 Si8 C1Z 105.9(2) . . ?
O8 Si8 C1W 109.0(3) . . ?
C1Z Si8 C1W 109.2(3) . . ?
O8 Si8 C1V 109.1(3) . . ?
C1Z Si8 C1V 111.0(3) . . ?
C1W Si8 C1V 112.4(3) . . ?
C2V C1V C6V 118.0(7) . . ?
C2V C1V Si8 121.7(6) . . ?
C6V C1V Si8 120.3(5) . . ?
C1V C2V C3V 120.8(8) . . ?
C1V C2V H2V 119.6 . . ?
C3V C2V H2V 119.6 . . ?
C4V C3V C2V 120.4(9) . . ?
C4V C3V H3V 119.8 . . ?
C2V C3V H3V 119.8 . . ?
C3V C4V C5V 119.6(7) . . ?
C3V C4V H4V 120.2 . . ?
C5V C4V H4V 120.2 . . ?
C6V C5V C4V 120.1(8) . . ?
C6V C5V H5V 119.6 . . ?
C4V C5V H5V 120.3 . . ?
C5V C6V C1V 121.2(7) . . ?
C5V C6V H6V 119.4 . . ?
C1V C6V H6V 119.4 . . ?
C6W C1W C2W 116.9(6) . . ?
C6W C1W Si8 120.5(5) . . ?
C2W C1W Si8 122.6(5) . . ?
C3W C2W C1W 121.5(6) . . ?
C3W C2W H2W 119.2 . . ?
C1W C2W H2W 119.2 . . ?
C2W C3W C4W 120.5(6) . . ?
C2W C3W H3W 119.8 . . ?
C4W C3W H3W 119.8 . . ?
C5W C4W C3W 118.4(7) . . ?
C5W C4W H4W 120.8 . . ?
C3W C4W H4W 120.8 . . ?
C6W C5W C4W 121.2(7) . . ?
C6W C5W H5W 119.4 . . ?
C4W C5W H5W 119.4 . . ?
C5W C6W C1W 121.5(6) . . ?
C5W C6W H6W 119.3 . . ?
C1W C6W H6W 119.3 . . ?
C2Z C1Z C6Z 117.9(5) . . ?
C2Z C1Z Si8 119.4(4) . . ?
C6Z C1Z Si8 122.7(4) . . ?
C3Z C2Z C1Z 121.7(5) . . ?
C3Z C2Z H2Z 119.2 . . ?
C1Z C2Z H2Z 119.2 . . ?
C4Z C3Z C2Z 118.9(6) . . ?
C4Z C3Z H3Z 120.5 . . ?
C2Z C3Z H3Z 120.5 . . ?
C5Z C4Z C3Z 121.1(6) . . ?
C5Z C4Z H4Z 119.4 . . ?
C3Z C4Z H4Z 119.4 . . ?
C4Z C5Z C6Z 119.1(6) . . ?
C4Z C5Z H5Z 120.5 . . ?
C6Z C5Z H5Z 120.5 . . ?
C5Z C6Z C1Z 121.3(6) . . ?
C5Z C6Z H6Z 119.4 . . ?
C1Z C6Z H6Z 119.4 . . ?
Si9 O9 H9 109.4 . . ?
O9 Si9 C1CA 109.9(2) . . ?
O9 Si9 C1BA 106.5(2) . . ?
C1CA Si9 C1BA 112.0(3) . . ?
O9 Si9 C1AA 108.4(2) . . ?
C1CA Si9 C1AA 108.7(2) . . ?
C1BA Si9 C1AA 111.3(3) . . ?
C2AA C1AA C6AA 117.4(5) . . ?
C2AA C1AA Si9 120.3(4) . . ?
C6AA C1AA Si9 122.1(4) . . ?
C3AA C2AA C1AA 121.3(6) . . ?
C3AA C2AA H2AA 119.4 . . ?
C1AA C2AA H2AA 119.4 . . ?
C4AA C3AA C2AA 120.5(6) . . ?
C4AA C3AA H3AA 119.7 . . ?
C2AA C3AA H3AA 119.7 . . ?
C5AA C4AA C3AA 118.9(5) . . ?
C5AA C4AA H4AA 120.6 . . ?
C3AA C4AA H4AA 120.6 . . ?
C4AA C5AA C6AA 121.0(6) . . ?
C4AA C5AA H5AA 119.5 . . ?
C6AA C5AA H5AA 119.5 . . ?
C5AA C6AA C1AA 120.9(6) . . ?
C5AA C6AA H6AA 119.5 . . ?
C1AA C6AA H6AA 119.5 . . ?
C6BA C1BA C2BA 117.0(5) . . ?
C6BA C1BA Si9 124.1(4) . . ?
C2BA C1BA Si9 118.9(5) . . ?
C3BA C2BA C1BA 121.4(6) . . ?
C3BA C2BA H2BA 119.3 . . ?
C1BA C2BA H2BA 119.3 . . ?
C2BA C3BA C4BA 120.5(6) . . ?
C2BA C3BA H3BA 119.7 . . ?
C4BA C3BA H3BA 119.7 . . ?
C3BA C4BA C5BA 119.2(6) . . ?
C3BA C4BA H4BA 120.4 . . ?
C5BA C4BA H4BA 120.4 . . ?
C6BA C5BA C4BA 120.2(6) . . ?
C6BA C5BA H5BA 119.9 . . ?
C4BA C5BA H5BA 119.9 . . ?
C5BA C6BA C1BA 121.7(5) . . ?
C5BA C6BA H6BA 119.2 . . ?
C1BA C6BA H6BA 119.2 . . ?
C6CA C1CA C2CA 117.6(5) . . ?
C6CA C1CA Si9 122.5(4) . . ?
C2CA C1CA Si9 119.9(4) . . ?
C3CA C2CA C1CA 121.3(5) . . ?
C3CA C2CA H2CA 119.3 . . ?
C1CA C2CA H2CA 119.3 . . ?
C4CA C3CA C2CA 119.5(6) . . ?
C4CA C3CA H3CA 120.2 . . ?
C2CA C3CA H3CA 120.2 . . ?
C3CA C4CA C5CA 120.0(5) . . ?
C3CA C4CA H4CA 120.0 . . ?
C5CA C4CA H4CA 120.0 . . ?
C4CA C5CA C6CA 118.9(5) . . ?
C4CA C5CA H5CA 120.5 . . ?
C6CA C5CA H5CA 120.5 . . ?
C1CA C6CA C5CA 122.5(5) . . ?
C1CA C6CA H6CA 118.7 . . ?
C5CA C6CA H6CA 118.7 . . ?
Si10 O10 H10 109.7 . . ?
O10 Si10 C1FA 108.5(2) . . ?
O10 Si10 C1EA 108.1(2) . . ?
C1FA Si10 C1EA 110.8(2) . . ?
O10 Si10 C1DA 106.4(2) . . ?
C1FA Si10 C1DA 113.2(2) . . ?
C1EA Si10 C1DA 109.6(2) . . ?
C6DA C1DA C2DA 116.7(6) . . ?
C6DA C1DA Si10 122.7(5) . . ?
C2DA C1DA Si10 120.5(4) . . ?
C3DA C2DA C1DA 121.9(7) . . ?
C3DA C2DA H2DA 119.1 . . ?
C1DA C2DA H2DA 119.1 . . ?
C4DA C3DA C2DA 120.4(7) . . ?
C4DA C3DA H3DA 119.8 . . ?
C2DA C3DA H3DA 119.8 . . ?
C3DA C4DA C5DA 120.0(6) . . ?
C3DA C4DA H4DA 120.0 . . ?
C5DA C4DA H4DA 120.0 . . ?
C4DA C5DA C6DA 119.0(7) . . ?
C4DA C5DA H5DA 120.5 . . ?
C6DA C5DA H5DA 120.5 . . ?
C1DA C6DA C5DA 121.9(7) . . ?
C1DA C6DA H6DA 119.1 . . ?
C5DA C6DA H6DA 119.1 . . ?
C2EA C1EA C6EA 117.3(5) . . ?
C2EA C1EA Si10 123.6(4) . . ?
C6EA C1EA Si10 119.1(4) . . ?
C1EA C2EA C3EA 122.0(6) . . ?
C1EA C2EA H2EA 119.0 . . ?
C3EA C2EA H2EA 119.0 . . ?
C4EA C3EA C2EA 119.2(6) . . ?
C4EA C3EA H3EA 120.4 . . ?
C2EA C3EA H3EA 120.4 . . ?
C3EA C4EA C5EA 120.4(6) . . ?
C3EA C4EA H4EA 119.8 . . ?
C5EA C4EA H4EA 119.8 . . ?
C6EA C5EA C4EA 119.7(6) . . ?
C6EA C5EA H5EA 120.2 . . ?
C4EA C5EA H5EA 120.2 . . ?
C5EA C6EA C1EA 121.4(6) . . ?
C5EA C6EA H6EA 119.3 . . ?
C1EA C6EA H6EA 119.3 . . ?
C6FA C1FA C2FA 117.8(5) . . ?
C6FA C1FA Si10 122.8(4) . . ?
C2FA C1FA Si10 119.4(5) . . ?
C3FA C2FA C1FA 120.9(6) . . ?
C3FA C2FA H2FA 119.5 . . ?
C1FA C2FA H2FA 119.5 . . ?
C4FA C3FA C2FA 120.1(6) . . ?
C4FA C3FA H3FA 120.0 . . ?
C2FA C3FA H3FA 120.0 . . ?
C3FA C4FA C5FA 120.1(6) . . ?
C3FA C4FA H4FA 119.9 . . ?
C5FA C4FA H4FA 119.9 . . ?
C6FA C5FA C4FA 119.1(6) . . ?
C6FA C5FA H5FA 120.4 . . ?
C4FA C5FA H5FA 120.4 . . ?
C5FA C6FA C1FA 121.9(6) . . ?
C5FA C6FA H6FA 119.1 . . ?
C1FA C6FA H6FA 119.1 . . ?
Si11 O11 H11 109.5 . . ?
O11 Si11 C1GA 107.7(2) . . ?
C6GA C1GA C2GA 117.2(5) . . ?
C6GA C1GA Si11 119.3(4) . . ?
C2GA C1GA Si11 123.4(5) . . ?
C1GA C2GA C3GA 120.7(6) . . ?
C1GA C2GA H2GA 119.6 . . ?
C3GA C2GA H2GA 119.6 . . ?
C4GA C3GA C2GA 121.4(6) . . ?
C4GA C3GA H3GA 119.3 . . ?
C2GA C3GA H3GA 119.3 . . ?
C3GA C4GA C5GA 118.9(6) . . ?
C3GA C4GA H4GA 120.5 . . ?
C5GA C4GA H4GA 120.5 . . ?
C4GA C5GA C6GA 120.0(6) . . ?
C4GA C5GA H5GA 120.0 . . ?
C6GA C5GA H5GA 120.0 . . ?
C1GA C6GA C5GA 121.8(6) . . ?
C1GA C6GA H6GA 119.1 . . ?
C5GA C6GA H6GA 119.1 . . ?
C2HA C1HA C6HA 120.0 . . ?
C1HA C2HA C3HA 120.0 . . ?
C1HA C2HA H2HA 120.0 . . ?
C3HA C2HA H2HA 120.0 . . ?
C4HA C3HA C2HA 120.0 . . ?
C4HA C3HA H3HA 120.0 . . ?
C2HA C3HA H3HA 120.0 . . ?
C3HA C4HA C5HA 120.0 . . ?
C3HA C4HA H4HA 120.0 . . ?
C5HA C4HA H4HA 120.0 . . ?
C6HA C5HA C4HA 120.0 . . ?
C6HA C5HA H5HA 120.0 . . ?
C4HA C5HA H5HA 120.0 . . ?
C5HA C6HA C1HA 120.0 . . ?
C5HA C6HA H6HA 120.0 . . ?
C1HA C6HA H6HA 120.0 . . ?
C2HB C1HB C6HB 120.0 . . ?
C3HB C2HB C1HB 120.0 . . ?
C3HB C2HB H2HB 120.0 . . ?
C1HB C2HB H2HB 120.0 . . ?
C2HB C3HB C4HB 120.0 . . ?
C2HB C3HB H3HB 120.0 . . ?
C4HB C3HB H3HB 120.0 . . ?
C5HB C4HB C3HB 120.0 . . ?
C5HB C4HB H4HB 120.0 . . ?
C3HB C4HB H4HB 120.0 . . ?
C4HB C5HB C6HB 120.0 . . ?
C4HB C5HB H5HB 120.0 . . ?
C6HB C5HB H5HB 120.0 . . ?
C5HB C6HB C1HB 120.0 . . ?
C5HB C6HB H6HB 120.0 . . ?
C1HB C6HB H6HB 120.0 . . ?
C2IA C1IA C6IA 120.0 . . ?
C1IA C2IA C3IA 120.0 . . ?
C1IA C2IA H2IA 120.0 . . ?
C3IA C2IA H2IA 120.0 . . ?
C4IA C3IA C2IA 120.0 . . ?
C4IA C3IA H3IA 120.0 . . ?
C2IA C3IA H3IA 120.0 . . ?
C5IA C4IA C3IA 120.0 . . ?
C5IA C4IA H4IA 120.0 . . ?
C3IA C4IA H4IA 120.0 . . ?
C4IA C5IA C6IA 120.0 . . ?
C4IA C5IA H5IA 120.0 . . ?
C6IA C5IA H5IA 120.0 . . ?
C5IA C6IA C1IA 120.0 . . ?
C5IA C6IA H6IA 120.0 . . ?
C1IA C6IA H6IA 120.0 . . ?
C2IB C1IB C6IB 120.0 . . ?
C1IB C2IB C3IB 120.0 . . ?
C1IB C2IB H2IB 120.0 . . ?
C3IB C2IB H2IB 120.0 . . ?
C4IB C3IB C2IB 120.0 . . ?
C4IB C3IB H3IB 120.0 . . ?
C2IB C3IB H3IB 120.0 . . ?
C3IB C4IB C5IB 120.0 . . ?
C3IB C4IB H4IB 120.0 . . ?
C5IB C4IB H4IB 120.0 . . ?
C6IB C5IB C4IB 120.0 . . ?
C6IB C5IB H5IB 120.0 . . ?
C4IB C5IB H5IB 120.0 . . ?
C5IB C6IB C1IB 120.0 . . ?
C5IB C6IB H6IB 120.0 . . ?
C1IB C6IB H6IB 120.0 . . ?
Si12 O12 H12 109.5 . . ?
O12 Si12 C1LA 108.3(3) . . ?
C2JA C1JA C6JA 120.0 . . ?
C3JA C2JA C1JA 120.0 . . ?
C3JA C2JA H2JA 120.0 . . ?
C1JA C2JA H2JA 120.0 . . ?
C2JA C3JA C4JA 120.0 . . ?
C2JA C3JA H3JA 120.0 . . ?
C4JA C3JA H3JA 120.0 . . ?
C5JA C4JA C3JA 120.0 . . ?
C5JA C4JA H4JA 120.0 . . ?
C3JA C4JA H4JA 120.0 . . ?
C4JA C5JA C6JA 120.0 . . ?
C4JA C5JA H5JA 120.0 . . ?
C6JA C5JA H5JA 120.0 . . ?
C5JA C6JA C1JA 120.0 . . ?
C5JA C6JA H6JA 120.0 . . ?
C1JA C6JA H6JA 120.0 . . ?
C2JB C1JB C6JB 120.0 . . ?
C3JB C2JB C1JB 120.0 . . ?
C3JB C2JB H2JB 120.0 . . ?
C1JB C2JB H2JB 120.0 . . ?
C2JB C3JB C4JB 120.0 . . ?
C2JB C3JB H3JB 120.0 . . ?
C4JB C3JB H3JB 120.0 . . ?
C3JB C4JB C5JB 120.0 . . ?
C3JB C4JB H4JB 120.0 . . ?
C5JB C4JB H4JB 120.0 . . ?
C4JB C5JB C6JB 120.0 . . ?
C4JB C5JB H5JB 120.0 . . ?
C6JB C5JB H5JB 120.0 . . ?
C5JB C6JB C1JB 120.0 . . ?
C5JB C6JB H6JB 120.0 . . ?
C1JB C6JB H6JB 120.0 . . ?
C2KA C1KA C6KA 120.0 . . ?
C3KA C2KA C1KA 120.0 . . ?
C3KA C2KA H2KA 120.0 . . ?
C1KA C2KA H2KA 120.0 . . ?
C2KA C3KA C4KA 120.0 . . ?
C2KA C3KA H3KA 120.0 . . ?
C4KA C3KA H3KA 120.0 . . ?
C3KA C4KA C5KA 120.0 . . ?
C3KA C4KA H4KA 120.0 . . ?
C5KA C4KA H4KA 120.0 . . ?
C6KA C5KA C4KA 120.0 . . ?
C6KA C5KA H5KA 120.0 . . ?
C4KA C5KA H5KA 120.0 . . ?
C5KA C6KA C1KA 120.0 . . ?
C5KA C6KA H6KA 120.0 . . ?
C1KA C6KA H6KA 120.0 . . ?
C2KB C1KB C6KB 120.0 . . ?
C1KB C2KB C3KB 120.0 . . ?
C1KB C2KB H2KB 120.0 . . ?
C3KB C2KB H2KB 120.0 . . ?
C4KB C3KB C2KB 120.0 . . ?
C4KB C3KB H3KB 120.0 . . ?
C2KB C3KB H3KB 120.0 . . ?
C3KB C4KB C5KB 120.0 . . ?
C3KB C4KB H4KB 120.0 . . ?
C5KB C4KB H4KB 120.0 . . ?
C6KB C5KB C4KB 120.0 . . ?
C6KB C5KB H5KB 120.0 . . ?
C4KB C5KB H5KB 120.0 . . ?
C5KB C6KB C1KB 120.0 . . ?
C5KB C6KB H6KB 120.0 . . ?
C1KB C6KB H6KB 120.0 . . ?
C2LA C1LA C6LA 118.3(6) . . ?
C2LA C1LA Si12 120.3(5) . . ?
C6LA C1LA Si12 121.4(5) . . ?
C3LA C2LA C1LA 121.3(7) . . ?
C3LA C2LA H2LA 119.3 . . ?
C1LA C2LA H2LA 119.3 . . ?
C2LA C3LA C4LA 119.1(7) . . ?
C2LA C3LA H3LA 120.4 . . ?
C4LA C3LA H3LA 120.4 . . ?
C5LA C4LA C3LA 120.0(7) . . ?
C5LA C4LA H331 120.0 . . ?
C3LA C4LA H331 120.0 . . ?
C4LA C5LA C6LA 121.3(7) . . ?
C4LA C5LA H5LA 119.3 . . ?
C6LA C5LA H5LA 119.3 . . ?
C5LA C6LA C1LA 119.9(6) . . ?
C5LA C6LA H6LA 120.0 . . ?
C1LA C6LA H6LA 120.0 . . ?
Si13 O13 H13 109.6 . . ?
O13 Si13 C1MA 110.3(3) . . ?
O13 Si13 C1OA 108.9(2) . . ?
C1MA Si13 C1OA 110.8(3) . . ?
O13 Si13 C1NA 105.4(2) . . ?
C1MA Si13 C1NA 109.4(3) . . ?
C1OA Si13 C1NA 111.9(2) . . ?
C6MA C1MA C2MA 117.3(6) . . ?
C6MA C1MA Si13 124.3(4) . . ?
C2MA C1MA Si13 118.4(5) . . ?
C3MA C2MA C1MA 121.0(7) . . ?
C3MA C2MA H2MA 119.5 . . ?
C1MA C2MA H2MA 119.5 . . ?
C2MA C3MA C4MA 121.0(7) . . ?
C2MA C3MA H3MA 119.5 . . ?
C4MA C3MA H3MA 119.5 . . ?
C5MA C4MA C3MA 119.1(7) . . ?
C5MA C4MA H4MA 120.5 . . ?
C3MA C4MA H4MA 120.5 . . ?
C4MA C5MA C6MA 119.3(6) . . ?
C4MA C5MA H5MA 120.4 . . ?
C6MA C5MA H5MA 120.4 . . ?
C1MA C6MA C5MA 122.4(5) . . ?
C1MA C6MA H6MA 118.8 . . ?
C5MA C6MA H6MA 118.8 . . ?
C6NA C1NA C2NA 117.9(6) . . ?
C6NA C1NA Si13 122.1(5) . . ?
C2NA C1NA Si13 120.0(4) . . ?
C3NA C2NA C1NA 121.2(6) . . ?
C3NA C2NA H2NA 119.4 . . ?
C1NA C2NA H2NA 119.4 . . ?
C2NA C3NA C4NA 120.0(6) . . ?
C2NA C3NA H3NA 120.0 . . ?
C4NA C3NA H3NA 120.0 . . ?
C5NA C4NA C3NA 119.5(6) . . ?
C5NA C4NA H4NA 120.2 . . ?
C3NA C4NA H4NA 120.2 . . ?
C4NA C5NA C6NA 120.5(6) . . ?
C4NA C5NA H5NA 119.8 . . ?
C6NA C5NA H5NA 119.8 . . ?
C1NA C6NA C5NA 120.9(6) . . ?
C1NA C6NA H6NA 119.5 . . ?
C5NA C6NA H6NA 119.5 . . ?
C6OA C1OA C2OA 117.8(5) . . ?
C6OA C1OA Si13 122.1(4) . . ?
C2OA C1OA Si13 120.2(4) . . ?
C3OA C2OA C1OA 121.4(5) . . ?
C3OA C2OA H2OA 119.3 . . ?
C1OA C2OA H2OA 119.3 . . ?
C2OA C3OA C4OA 119.9(6) . . ?
C2OA C3OA H3OA 120.0 . . ?
C4OA C3OA H3OA 120.0 . . ?
C5OA C4OA C3OA 119.7(5) . . ?
C5OA C4OA H178 120.1 . . ?
C3OA C4OA H178 120.1 . . ?
C4OA C5OA C6OA 120.4(6) . . ?
C4OA C5OA H5OA 119.8 . . ?
C6OA C5OA H5OA 119.8 . . ?
C1OA C6OA C5OA 120.8(6) . . ?
C1OA C6OA H6OA 119.6 . . ?
C5OA C6OA H6OA 119.6 . . ?
Si14 O14 H14 109.5 . . ?
O14 Si14 C1RA 110.2(3) . . ?
O14 Si14 C1PA 109.1(3) . . ?
C1RA Si14 C1PA 109.4(3) . . ?
O14 Si14 C1QA 106.7(3) . . ?
C1RA Si14 C1QA 111.0(3) . . ?
C1PA Si14 C1QA 110.3(3) . . ?
C2PA C1PA C6PA 116.5(7) . . ?
C2PA C1PA Si14 122.4(5) . . ?
C6PA C1PA Si14 121.0(5) . . ?
C3PA C2PA C1PA 121.6(7) . . ?
C3PA C2PA H2PA 119.2 . . ?
C1PA C2PA H2PA 119.2 . . ?
C2PA C3PA C4PA 120.6(7) . . ?
C2PA C3PA H3PA 119.7 . . ?
C4PA C3PA H3PA 119.7 . . ?
C5PA C4PA C3PA 118.7(8) . . ?
C5PA C4PA H4PA 120.7 . . ?
C3PA C4PA H4PA 120.7 . . ?
C6PA C5PA C4PA 120.8(7) . . ?
C6PA C5PA H5PA 119.6 . . ?
C4PA C5PA H5PA 119.6 . . ?
C5PA C6PA C1PA 121.8(6) . . ?
C5PA C6PA H6PA 119.1 . . ?
C1PA C6PA H6PA 119.1 . . ?
C2QA C1QA C6QA 117.9(6) . . ?
C2QA C1QA Si14 122.1(5) . . ?
C6QA C1QA Si14 120.1(5) . . ?
C1QA C2QA C3QA 120.9(8) . . ?
C1QA C2QA H2QA 119.6 . . ?
C3QA C2QA H2QA 119.6 . . ?
C4QA C3QA C2QA 120.0(8) . . ?
C4QA C3QA H3QA 120.0 . . ?
C2QA C3QA H3QA 120.0 . . ?
C5QA C4QA C3QA 119.7(6) . . ?
C5QA C4QA H4QA 120.2 . . ?
C3QA C4QA H4QA 120.2 . . ?
C4QA C5QA C6QA 120.5(6) . . ?
C4QA C5QA H5QA 119.7 . . ?
C6QA C5QA H5QA 119.7 . . ?
C5QA C6QA C1QA 120.8(6) . . ?
C5QA C6QA H6QA 119.6 . . ?
C1QA C6QA H6QA 119.6 . . ?
C6RA C1RA C2RA 115.5(7) . . ?
C6RA C1RA Si14 122.0(5) . . ?
C2RA C1RA Si14 122.5(5) . . ?
C1RA C2RA C3RA 122.6(7) . . ?
C1RA C2RA H2RA 118.7 . . ?
C3RA C2RA H2RA 118.7 . . ?
C4RA C3RA C2RA 120.6(7) . . ?
C4RA C3RA H3RA 119.7 . . ?
C2RA C3RA H3RA 119.7 . . ?
C5RA C4RA C3RA 117.6(7) . . ?
C5RA C4RA H4RA 121.2 . . ?
C3RA C4RA H4RA 121.2 . . ?
C4RA C5RA C6RA 121.1(8) . . ?
C4RA C5RA H5RA 119.4 . . ?
C6RA C5RA H5RA 119.4 . . ?
C1RA C6RA C5RA 122.3(7) . . ?
C1RA C6RA H6RA 118.8 . . ?
C5RA C6RA H6RA 118.8 . . ?
Si15 O15 H15 109.5 . . ?
O15 Si15 C1TA 106.0(3) . . ?
O15 Si15 C1UA 108.9(3) . . ?
C1TA Si15 C1UA 111.1(3) . . ?
O15 Si15 C1SA 109.2(2) . . ?
C1TA Si15 C1SA 110.0(3) . . ?
C1UA Si15 C1SA 111.5(3) . . ?
C2SA C1SA C6SA 118.4(5) . . ?
C2SA C1SA Si15 119.8(4) . . ?
C6SA C1SA Si15 121.8(4) . . ?
C3SA C2SA C1SA 121.4(5) . . ?
C3SA C2SA H2SA 119.3 . . ?
C1SA C2SA H2SA 119.3 . . ?
C2SA C3SA C4SA 120.7(6) . . ?
C2SA C3SA H3SA 119.6 . . ?
C4SA C3SA H3SA 119.6 . . ?
C3SA C4SA C5SA 119.1(6) . . ?
C3SA C4SA H4SA 120.4 . . ?
C5SA C4SA H4SA 120.4 . . ?
C4SA C5SA C6SA 120.2(6) . . ?
C4SA C5SA H5SA 119.9 . . ?
C6SA C5SA H5SA 119.9 . . ?
C1SA C6SA C5SA 120.1(6) . . ?
C1SA C6SA H6SA 119.9 . . ?
C5SA C6SA H6SA 119.9 . . ?
C6TA C1TA C2TA 117.7(6) . . ?
C6TA C1TA Si15 123.0(5) . . ?
C2TA C1TA Si15 119.3(4) . . ?
C3TA C2TA C1TA 120.0(6) . . ?
C3TA C2TA H2TA 120.0 . . ?
C1TA C2TA H2TA 120.0 . . ?
C4TA C3TA C2TA 120.4(6) . . ?
C4TA C3TA H3TA 119.8 . . ?
C2TA C3TA H3TA 119.8 . . ?
C5TA C4TA C3TA 121.1(6) . . ?
C5TA C4TA H4TA 119.5 . . ?
C3TA C4TA H4TA 119.5 . . ?
C4TA C5TA C6TA 119.1(6) . . ?
C4TA C5TA H5TA 120.4 . . ?
C6TA C5TA H5TA 120.4 . . ?
C5TA C6TA C1TA 121.7(6) . . ?
C5TA C6TA H6TA 119.1 . . ?
C1TA C6TA H6TA 119.1 . . ?
C2UA C1UA C6UA 117.3(6) . . ?
C2UA C1UA Si15 122.4(5) . . ?
C6UA C1UA Si15 120.3(5) . . ?
C1UA C2UA C3UA 120.3(7) . . ?
C1UA C2UA H2UA 119.8 . . ?
C3UA C2UA H2UA 119.8 . . ?
C4UA C3UA C2UA 121.4(8) . . ?
C4UA C3UA H3UA 119.3 . . ?
C2UA C3UA H3UA 119.3 . . ?
C5UA C4UA C3UA 118.4(7) . . ?
C5UA C4UA H4UA 120.8 . . ?
C3UA C4UA H4UA 120.8 . . ?
C4UA C5UA C6UA 120.8(7) . . ?
C4UA C5UA H5UA 119.6 . . ?
C6UA C5UA H5UA 119.6 . . ?
C5UA C6UA C1UA 121.7(7) . . ?
C5UA C6UA H6UA 119.1 . . ?
C1UA C6UA H6UA 119.1 . . ?
Si16 O16 H16 109.5 . . ?
O16 Si16 C1ZA 109.0(2) . . ?
O16 Si16 C1VA 107.6(2) . . ?
C1ZA Si16 C1VA 110.4(2) . . ?
O16 Si16 C1WA 109.6(2) . . ?
C1ZA Si16 C1WA 109.6(2) . . ?
C1VA Si16 C1WA 110.5(3) . . ?
C6VA C1VA C2VA 117.5(5) . . ?
C6VA C1VA Si16 119.6(4) . . ?
C2VA C1VA Si16 122.9(4) . . ?
C3VA C2VA C1VA 121.6(5) . . ?
C3VA C2VA H2VA 119.2 . . ?
C1VA C2VA H2VA 119.2 . . ?
C4VA C3VA C2VA 119.7(6) . . ?
C4VA C3VA H3VA 120.1 . . ?
C2VA C3VA H3VA 120.1 . . ?
C3VA C4VA C5VA 120.0(6) . . ?
C3VA C4VA H4VA 120.0 . . ?
C5VA C4VA H4VA 120.0 . . ?
C6VA C5VA C4VA 120.0(6) . . ?
C6VA C5VA H5VA 120.0 . . ?
C4VA C5VA H5VA 120.0 . . ?
C5VA C6VA C1VA 121.2(6) . . ?
C5VA C6VA H6VA 119.4 . . ?
C1VA C6VA H6VA 119.4 . . ?
C6WA C1WA C2WA 117.3(6) . . ?
C6WA C1WA Si16 119.7(4) . . ?
C2WA C1WA Si16 122.9(5) . . ?
C3WA C2WA C1WA 121.6(7) . . ?
C3WA C2WA H2WA 119.2 . . ?
C1WA C2WA H2WA 119.2 . . ?
C4WA C3WA C2WA 120.5(7) . . ?
C4WA C3WA H3WA 119.8 . . ?
C2WA C3WA H3WA 119.8 . . ?
C3WA C4WA C5WA 119.3(6) . . ?
C3WA C4WA H4WA 120.4 . . ?
C5WA C4WA H4WA 120.4 . . ?
C4WA C5WA C6WA 119.8(6) . . ?
C4WA C5WA H5WA 120.1 . . ?
C6WA C5WA H5WA 120.1 . . ?
C1WA C6WA C5WA 121.5(6) . . ?
C1WA C6WA H6WA 119.3 . . ?
C5WA C6WA H6WA 119.3 . . ?
C6ZA C1ZA C2ZA 116.7(5) . . ?
C6ZA C1ZA Si16 122.6(4) . . ?
C2ZA C1ZA Si16 120.6(4) . . ?
C3ZA C2ZA C1ZA 121.5(6) . . ?
C3ZA C2ZA H2ZA 119.2 . . ?
C1ZA C2ZA H2ZA 119.2 . . ?
C2ZA C3ZA C4ZA 119.9(6) . . ?
C2ZA C3ZA H3ZA 120.0 . . ?
C4ZA C3ZA H3ZA 120.0 . . ?
C5ZA C4ZA C3ZA 119.8(6) . . ?
C5ZA C4ZA H4ZA 120.1 . . ?
C3ZA C4ZA H4ZA 120.1 . . ?
C4ZA C5ZA C6ZA 119.6(6) . . ?
C4ZA C5ZA H5ZA 120.2 . . ?
C6ZA C5ZA H5ZA 120.2 . . ?
C5ZA C6ZA C1ZA 122.5(6) . . ?
C5ZA C6ZA H6ZA 118.8 . . ?
C1ZA C6ZA H6ZA 118.8 . . ?
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
O1 Si1 1.649(4) . ?
O1 H1 0.8392 . ?
Si1 C1B 1.850(5) . ?
Si1 C1A 1.872(5) . ?
Si1 C1C 1.873(5) . ?
C1A C6A 1.397(8) . ?
C1A C2A 1.403(7) . ?
C2A C3A 1.391(8) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.378(9) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.384(9) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.394(8) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.401(7) . ?
C1B C2B 1.410(7) . ?
C2B C3B 1.387(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.388(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.384(8) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.385(8) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.391(7) . ?
C1C C6C 1.393(8) . ?
C2C C3C 1.403(8) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.376(9) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.386(9) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.388(9) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
O2 Si2 1.650(4) . ?
O2 H2 0.8396 . ?
Si2 C1F 1.863(6) . ?
Si2 C1E 1.863(6) . ?
Si2 C1D 1.868(6) . ?
C1D C2D 1.400(8) . ?
C1D C6D 1.408(8) . ?
C2D C3D 1.383(9) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.388(9) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.378(9) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.396(9) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.400(8) . ?
C1E C6E 1.402(8) . ?
C2E C3E 1.397(10) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.382(12) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.375(11) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.380(8) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.364(9) . ?
C1F C6F 1.366(9) . ?
C2F C3F 1.396(10) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.368(10) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.322(10) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.398(10) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
O3 Si3 1.646(4) . ?
O3 H3 0.8400 . ?
Si3 C1H 1.861(6) . ?
Si3 C1G 1.867(6) . ?
Si3 C1I 1.870(6) . ?
C1G C2G 1.382(8) . ?
C1G C6G 1.398(8) . ?
C2G C3G 1.398(8) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.377(11) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.375(11) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.390(9) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C6H 1.369(10) . ?
C1H C2H 1.370(9) . ?
C2H C3H 1.387(13) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.386(17) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.348(14) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.386(10) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C2I 1.396(8) . ?
C1I C6I 1.397(8) . ?
C2I C3I 1.381(8) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.384(9) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.399(9) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.393(9) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
O4 Si4 1.649(4) . ?
O4 H4 0.8396 . ?
Si4 C1L 1.866(5) . ?
Si4 C1K 1.876(5) . ?
Si4 C1J 1.877(6) . ?
C1J C2J 1.363(9) . ?
C1J C6J 1.374(9) . ?
C2J C3J 1.384(10) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.341(11) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.358(10) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.395(10) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C6K 1.394(7) . ?
C1K C2K 1.402(8) . ?
C2K C3K 1.386(8) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.380(9) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.392(9) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.385(8) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C2L 1.397(8) . ?
C1L C6L 1.400(7) . ?
C2L C3L 1.398(8) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.385(8) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.381(8) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.398(8) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
O5 Si5 1.642(4) . ?
O5 H5 0.8398 . ?
Si5 C1O 1.856(5) . ?
Si5 C1M 1.865(6) . ?
Si5 C1N 1.865(6) . ?
C1M C6M 1.389(8) . ?
C1M C2M 1.402(9) . ?
C2M C3M 1.374(10) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.359(10) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.383(10) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.387(9) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1N C6N 1.394(8) . ?
C1N C2N 1.406(8) . ?
C2N C3N 1.394(9) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.391(9) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.374(8) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.375(8) . ?
C5N H5N 0.9500 . ?
C6N H6N 0.9500 . ?
C1O C6O 1.388(8) . ?
C1O C2O 1.402(8) . ?
C2O C3O 1.390(8) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.392(10) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.371(11) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.396(9) . ?
C5O H5O 0.9500 . ?
C6O H6O 0.9500 . ?
O6 Si6 1.649(4) . ?
O6 H6 0.8401 . ?
Si6 C1R 1.869(6) . ?
Si6 C1P 1.873(6) . ?
Si6 C1Q 1.874(6) . ?
C1P C6P 1.399(7) . ?
C1P C2P 1.403(8) . ?
C2P C3P 1.386(8) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.385(8) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.396(8) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.392(7) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C1Q C2Q 1.380(8) . ?
C1Q C6Q 1.418(7) . ?
C2Q C3Q 1.394(8) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.383(8) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.387(8) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.389(7) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?
C1R C2R 1.394(8) . ?
C1R C6R 1.411(7) . ?
C2R C3R 1.390(8) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.391(8) . ?
C3R H3R 0.9500 . ?
C4R C5R 1.388(8) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.393(8) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
O7 Si7 1.652(4) . ?
O7 H7 0.8389 . ?
Si7 C1UU 1.812(7) . ?
Si7 C1T 1.867(6) . ?
Si7 C1S 1.877(6) . ?
Si7 C1U 1.90(6) . ?
Si7 C1UR 1.971(11) . ?
C1S C6S 1.386(8) . ?
C1S C2S 1.399(9) . ?
C2S C3S 1.388(9) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.380(11) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.368(11) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.397(9) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C1T C2T 1.363(9) . ?
C1T C6T 1.380(9) . ?
C2T C3T 1.395(11) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.363(10) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.337(9) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.403(9) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
C1U C2U 1.37(7) . ?
C1U C6U 1.40(6) . ?
C2U C3U 1.37(4) . ?
C2U H2U 0.9500 . ?
C3U C4U 1.23(5) . ?
C3U H3U 0.9500 . ?
C4U C5U 1.39(7) . ?
C4U H4U 0.9500 . ?
C5U C6U 1.43(6) . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
C1UR C2UR 1.3900 . ?
C1UR C6UR 1.3900 . ?
C2UR C3UR 1.3900 . ?
C2UR H2UR 0.9500 . ?
C3UR C4UR 1.3900 . ?
C3UR H3UR 0.9500 . ?
C4UR C5UR 1.3900 . ?
C4UR H4UR 0.9500 . ?
C5UR C6UR 1.3900 . ?
C5UR H5UR 0.9500 . ?
C6UR H6UR 0.9500 . ?
C1UU C2UU 1.3900 . ?
C1UU C6UU 1.3900 . ?
C2UU C3UU 1.3900 . ?
C2UU H2UU 0.9500 . ?
C3UU C4UU 1.3900 . ?
C3UU H3UU 0.9500 . ?
C4UU C5UU 1.3900 . ?
C4UU H4UU 0.9500 . ?
C5UU C6UU 1.3900 . ?
C5UU H5UU 0.9500 . ?
C6UU H6UU 0.9500 . ?
O8 Si8 1.645(4) . ?
O8 H8 0.8399 . ?
Si8 C1Z 1.867(6) . ?
Si8 C1W 1.870(6) . ?
Si8 C1V 1.873(7) . ?
C1V C2V 1.387(10) . ?
C1V C6V 1.393(10) . ?
C2V C3V 1.407(10) . ?
C2V H2V 0.9500 . ?
C3V C4V 1.366(14) . ?
C3V H3V 0.9494 . ?
C4V C5V 1.392(12) . ?
C4V H4V 0.9500 . ?
C5V C6V 1.390(9) . ?
C5V H5V 0.9496 . ?
C6V H6V 0.9500 . ?
C1W C6W 1.393(9) . ?
C1W C2W 1.415(8) . ?
C2W C3W 1.375(9) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.397(10) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.383(10) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.380(10) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1Z C2Z 1.400(8) . ?
C1Z C6Z 1.402(8) . ?
C2Z C3Z 1.392(8) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.390(9) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.389(9) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.396(8) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
O9 Si9 1.653(4) . ?
O9 H9 0.8400 . ?
Si9 C1CA 1.862(6) . ?
Si9 C1BA 1.863(6) . ?
Si9 C1AA 1.867(6) . ?
C1AA C2AA 1.398(8) . ?
C1AA C6AA 1.402(8) . ?
C2AA C3AA 1.391(8) . ?
C2AA H2AA 0.9500 . ?
C3AA C4AA 1.384(9) . ?
C3AA H3AA 0.9500 . ?
C4AA C5AA 1.383(9) . ?
C4AA H4AA 0.9500 . ?
C5AA C6AA 1.388(8) . ?
C5AA H5AA 0.9500 . ?
C6AA H6AA 0.9500 . ?
C1BA C6BA 1.395(8) . ?
C1BA C2BA 1.416(8) . ?
C2BA C3BA 1.376(9) . ?
C2BA H2BA 0.9500 . ?
C3BA C4BA 1.388(9) . ?
C3BA H3BA 0.9500 . ?
C4BA C5BA 1.392(9) . ?
C4BA H4BA 0.9500 . ?
C5BA C6BA 1.387(8) . ?
C5BA H5BA 0.9500 . ?
C6BA H6BA 0.9500 . ?
C1CA C6CA 1.381(8) . ?
C1CA C2CA 1.411(8) . ?
C2CA C3CA 1.399(8) . ?
C2CA H2CA 0.9500 . ?
C3CA C4CA 1.398(9) . ?
C3CA H3CA 0.9500 . ?
C4CA C5CA 1.400(8) . ?
C4CA H4CA 0.9500 . ?
C5CA C6CA 1.401(8) . ?
C5CA H5CA 0.9500 . ?
C6CA H6CA 0.9500 . ?
O10 Si10 1.643(4) . ?
O10 H10 0.8391 . ?
Si10 C1FA 1.869(6) . ?
Si10 C1EA 1.875(6) . ?
Si10 C1DA 1.876(6) . ?
C1DA C6DA 1.388(8) . ?
C1DA C2DA 1.392(9) . ?
C2DA C3DA 1.377(10) . ?
C2DA H2DA 0.9500 . ?
C3DA C4DA 1.370(11) . ?
C3DA H3DA 0.9500 . ?
C4DA C5DA 1.378(11) . ?
C4DA H4DA 0.9500 . ?
C5DA C6DA 1.403(9) . ?
C5DA H5DA 0.9500 . ?
C6DA H6DA 0.9500 . ?
C1EA C2EA 1.380(8) . ?
C1EA C6EA 1.413(8) . ?
C2EA C3EA 1.403(8) . ?
C2EA H2EA 0.9500 . ?
C3EA C4EA 1.375(9) . ?
C3EA H3EA 0.9500 . ?
C4EA C5EA 1.394(10) . ?
C4EA H4EA 0.9500 . ?
C5EA C6EA 1.381(8) . ?
C5EA H5EA 0.9500 . ?
C6EA H6EA 0.9500 . ?
C1FA C6FA 1.395(8) . ?
C1FA C2FA 1.396(8) . ?
C2FA C3FA 1.390(9) . ?
C2FA H2FA 0.9500 . ?
C3FA C4FA 1.379(10) . ?
C3FA H3FA 0.9500 . ?
C4FA C5FA 1.397(9) . ?
C4FA H4FA 0.9500 . ?
C5FA C6FA 1.382(8) . ?
C5FA H5FA 0.9500 . ?
C6FA H6FA 0.9500 . ?
O11 Si11 1.645(4) . ?
O11 H11 0.8400 . ?
Si11 C1GA 1.871(6) . ?
C1GA C6GA 1.386(8) . ?
C1GA C2GA 1.392(9) . ?
C2GA C3GA 1.394(9) . ?
C2GA H2GA 0.9500 . ?
C3GA C4GA 1.364(9) . ?
C3GA H3GA 0.9500 . ?
C4GA C5GA 1.380(9) . ?
C4GA H4GA 0.9500 . ?
C5GA C6GA 1.397(8) . ?
C5GA H5GA 0.9500 . ?
C6GA H6GA 0.9500 . ?
C1HA C2HA 1.3900 . ?
C1HA C6HA 1.3900 . ?
C2HA C3HA 1.3900 . ?
C2HA H2HA 0.9500 . ?
C3HA C4HA 1.3900 . ?
C3HA H3HA 0.9500 . ?
C4HA C5HA 1.3900 . ?
C4HA H4HA 0.9500 . ?
C5HA C6HA 1.3900 . ?
C5HA H5HA 0.9500 . ?
C6HA H6HA 0.9500 . ?
C1HB C2HB 1.3900 . ?
C1HB C6HB 1.3900 . ?
C2HB C3HB 1.3900 . ?
C2HB H2HB 0.9500 . ?
C3HB C4HB 1.3900 . ?
C3HB H3HB 0.9500 . ?
C4HB C5HB 1.3900 . ?
C4HB H4HB 0.9500 . ?
C5HB C6HB 1.3900 . ?
C5HB H5HB 0.9500 . ?
C6HB H6HB 0.9500 . ?
C1IA C2IA 1.3900 . ?
C1IA C6IA 1.3900 . ?
C2IA C3IA 1.3900 . ?
C2IA H2IA 0.9500 . ?
C3IA C4IA 1.3900 . ?
C3IA H3IA 0.9500 . ?
C4IA C5IA 1.3900 . ?
C4IA H4IA 0.9500 . ?
C5IA C6IA 1.3900 . ?
C5IA H5IA 0.9500 . ?
C6IA H6IA 0.9500 . ?
C1IB C2IB 1.3900 . ?
C1IB C6IB 1.3900 . ?
C2IB C3IB 1.3900 . ?
C2IB H2IB 0.9500 . ?
C3IB C4IB 1.3900 . ?
C3IB H3IB 0.9500 . ?
C4IB C5IB 1.3900 . ?
C4IB H4IB 0.9500 . ?
C5IB C6IB 1.3900 . ?
C5IB H5IB 0.9500 . ?
C6IB H6IB 0.9500 . ?
O12 Si12 1.648(5) . ?
O12 H12 0.8400 . ?
Si12 C1LA 1.874(6) . ?
C1JA C2JA 1.3900 . ?
C1JA C6JA 1.3900 . ?
C2JA C3JA 1.3900 . ?
C2JA H2JA 0.9500 . ?
C3JA C4JA 1.3900 . ?
C3JA H3JA 0.9500 . ?
C4JA C5JA 1.3900 . ?
C4JA H4JA 0.9500 . ?
C5JA C6JA 1.3900 . ?
C5JA H5JA 0.9500 . ?
C6JA H6JA 0.9500 . ?
C1JB C2JB 1.3900 . ?
C1JB C6JB 1.3900 . ?
C2JB C3JB 1.3900 . ?
C2JB H2JB 0.9500 . ?
C3JB C4JB 1.3900 . ?
C3JB H3JB 0.9500 . ?
C4JB C5JB 1.3900 . ?
C4JB H4JB 0.9500 . ?
C5JB C6JB 1.3900 . ?
C5JB H5JB 0.9500 . ?
C6JB H6JB 0.9500 . ?
C1KA C2KA 1.3900 . ?
C1KA C6KA 1.3900 . ?
C2KA C3KA 1.3900 . ?
C2KA H2KA 0.9500 . ?
C3KA C4KA 1.3900 . ?
C3KA H3KA 0.9500 . ?
C4KA C5KA 1.3900 . ?
C4KA H4KA 0.9500 . ?
C5KA C6KA 1.3900 . ?
C5KA H5KA 0.9500 . ?
C6KA H6KA 0.9500 . ?
C1KB C2KB 1.3900 . ?
C1KB C6KB 1.3900 . ?
C2KB C3KB 1.3900 . ?
C2KB H2KB 0.9500 . ?
C3KB C4KB 1.3900 . ?
C3KB H3KB 0.9500 . ?
C4KB C5KB 1.3900 . ?
C4KB H4KB 0.9500 . ?
C5KB C6KB 1.3900 . ?
C5KB H5KB 0.9500 . ?
C6KB H6KB 0.9500 . ?
C1LA C2LA 1.394(9) . ?
C1LA C6LA 1.398(8) . ?
C2LA C3LA 1.384(11) . ?
C2LA H2LA 0.9500 . ?
C3LA C4LA 1.396(14) . ?
C3LA H3LA 0.9500 . ?
C4LA C5LA 1.358(11) . ?
C4LA H331 0.9500 . ?
C5LA C6LA 1.385(8) . ?
C5LA H5LA 0.9500 . ?
C6LA H6LA 0.9500 . ?
O13 Si13 1.646(4) . ?
O13 H13 0.8401 . ?
Si13 C1MA 1.864(6) . ?
Si13 C1OA 1.875(6) . ?
Si13 C1NA 1.877(6) . ?
C1MA C6MA 1.386(8) . ?
C1MA C2MA 1.388(9) . ?
C2MA C3MA 1.372(11) . ?
C2MA H2MA 0.9500 . ?
C3MA C4MA 1.402(13) . ?
C3MA H3MA 0.9500 . ?
C4MA C5MA 1.365(9) . ?
C4MA H4MA 0.9500 . ?
C5MA C6MA 1.398(8) . ?
C5MA H5MA 0.9500 . ?
C6MA H6MA 0.9500 . ?
C1NA C6NA 1.390(9) . ?
C1NA C2NA 1.398(9) . ?
C2NA C3NA 1.385(9) . ?
C2NA H2NA 0.9500 . ?
C3NA C4NA 1.389(9) . ?
C3NA H3NA 0.9500 . ?
C4NA C5NA 1.374(10) . ?
C4NA H4NA 0.9500 . ?
C5NA C6NA 1.393(10) . ?
C5NA H5NA 0.9500 . ?
C6NA H6NA 0.9500 . ?
C1OA C6OA 1.394(8) . ?
C1OA C2OA 1.404(8) . ?
C2OA C3OA 1.383(8) . ?
C2OA H2OA 0.9500 . ?
C3OA C4OA 1.396(8) . ?
C3OA H3OA 0.9500 . ?
C4OA C5OA 1.373(9) . ?
C4OA H178 0.9500 . ?
C5OA C6OA 1.405(8) . ?
C5OA H5OA 0.9500 . ?
C6OA H6OA 0.9500 . ?
O14 Si14 1.648(4) . ?
O14 H14 0.8400 . ?
Si14 C1RA 1.859(7) . ?
Si14 C1PA 1.862(7) . ?
Si14 C1QA 1.877(7) . ?
C1PA C2PA 1.393(9) . ?
C1PA C6PA 1.413(9) . ?
C2PA C3PA 1.382(12) . ?
C2PA H2PA 0.9500 . ?
C3PA C4PA 1.392(12) . ?
C3PA H3PA 0.9500 . ?
C4PA C5PA 1.382(10) . ?
C4PA H4PA 0.9500 . ?
C5PA C6PA 1.368(10) . ?
C5PA H5PA 0.9500 . ?
C6PA H6PA 0.9500 . ?
C1QA C2QA 1.369(10) . ?
C1QA C6QA 1.392(9) . ?
C2QA C3QA 1.400(11) . ?
C2QA H2QA 0.9500 . ?
C3QA C4QA 1.365(11) . ?
C3QA H3QA 0.9500 . ?
C4QA C5QA 1.362(10) . ?
C4QA H4QA 0.9500 . ?
C5QA C6QA 1.383(9) . ?
C5QA H5QA 0.9500 . ?
C6QA H6QA 0.9500 . ?
C1RA C6RA 1.353(11) . ?
C1RA C2RA 1.359(9) . ?
C2RA C3RA 1.391(11) . ?
C2RA H2RA 0.9500 . ?
C3RA C4RA 1.361(10) . ?
C3RA H3RA 0.9500 . ?
C4RA C5RA 1.335(11) . ?
C4RA H4RA 0.9500 . ?
C5RA C6RA 1.402(14) . ?
C5RA H5RA 0.9500 . ?
C6RA H6RA 0.9500 . ?
O15 Si15 1.648(4) . ?
O15 H15 0.8400 . ?
Si15 C1TA 1.864(6) . ?
Si15 C1UA 1.874(6) . ?
Si15 C1SA 1.879(6) . ?
C1SA C2SA 1.388(8) . ?
C1SA C6SA 1.397(8) . ?
C2SA C3SA 1.376(8) . ?
C2SA H2SA 0.9500 . ?
C3SA C4SA 1.383(9) . ?
C3SA H3SA 0.9500 . ?
C4SA C5SA 1.390(9) . ?
C4SA H4SA 0.9500 . ?
C5SA C6SA 1.403(8) . ?
C5SA H5SA 0.9500 . ?
C6SA H6SA 0.9500 . ?
C1TA C6TA 1.399(8) . ?
C1TA C2TA 1.409(9) . ?
C2TA C3TA 1.396(9) . ?
C2TA H2TA 0.9500 . ?
C3TA C4TA 1.373(10) . ?
C3TA H3TA 0.9500 . ?
C4TA C5TA 1.371(10) . ?
C4TA H4TA 0.9500 . ?
C5TA C6TA 1.391(9) . ?
C5TA H5TA 0.9500 . ?
C6TA H6TA 0.9500 . ?
C1UA C2UA 1.386(9) . ?
C1UA C6UA 1.402(9) . ?
C2UA C3UA 1.397(10) . ?
C2UA H2UA 0.9500 . ?
C3UA C4UA 1.381(11) . ?
C3UA H3UA 0.9500 . ?
C4UA C5UA 1.371(11) . ?
C4UA H4UA 0.9500 . ?
C5UA C6UA 1.378(10) . ?
C5UA H5UA 0.9500 . ?
C6UA H6UA 0.9500 . ?
O16 Si16 1.640(4) . ?
O16 H16 0.8400 . ?
Si16 C1ZA 1.860(6) . ?
Si16 C1VA 1.861(6) . ?
Si16 C1WA 1.865(6) . ?
C1VA C6VA 1.388(8) . ?
C1VA C2VA 1.394(8) . ?
C2VA C3VA 1.386(8) . ?
C2VA H2VA 0.9500 . ?
C3VA C4VA 1.371(9) . ?
C3VA H3VA 0.9500 . ?
C4VA C5VA 1.385(10) . ?
C4VA H4VA 0.9500 . ?
C5VA C6VA 1.384(9) . ?
C5VA H5VA 0.9500 . ?
C6VA H6VA 0.9500 . ?
C1WA C6WA 1.384(8) . ?
C1WA C2WA 1.392(8) . ?
C2WA C3WA 1.377(10) . ?
C2WA H2WA 0.9500 . ?
C3WA C4WA 1.377(12) . ?
C3WA H3WA 0.9500 . ?
C4WA C5WA 1.382(10) . ?
C4WA H4WA 0.9500 . ?
C5WA C6WA 1.394(8) . ?
C5WA H5WA 0.9500 . ?
C6WA H6WA 0.9500 . ?
C1ZA C6ZA 1.392(8) . ?
C1ZA C2ZA 1.412(8) . ?
C2ZA C3ZA 1.380(9) . ?
C2ZA H2ZA 0.9500 . ?
C3ZA C4ZA 1.399(10) . ?
C3ZA H3ZA 0.9500 . ?
C4ZA C5ZA 1.380(9) . ?
C4ZA H4ZA 0.9500 . ?
C5ZA C6ZA 1.388(9) . ?
C5ZA H5ZA 0.9500 . ?
C6ZA H6ZA 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O2 0.84 2.01 2.660(5) 134.2 .
O2 H2 O3 0.84 1.94 2.659(5) 142.7 .
O3 H3 O4 0.84 1.92 2.673(5) 148.0 .
O4 H4 O1 0.84 1.85 2.633(5) 155.2 .
O5 H5 O6 0.84 2.00 2.650(5) 133.7 .
O6 H6 O7 0.84 1.95 2.663(6) 141.8 .
O7 H7 O8 0.84 2.05 2.633(6) 126.0 .
O8 H8 O5 0.84 1.92 2.639(6) 143.6 .
O9 H9 O10 0.84 1.91 2.690(6) 154.6 .
O10 H10 O11 0.84 2.14 2.671(6) 120.6 .
O13 H13 O14 0.84 1.97 2.670(6) 140.8 .
O14 H14 O15 0.84 1.91 2.630(6) 143.4 .
O15 H15 O16 0.84 1.92 2.644(6) 143.9 .
O16 H16 O13 0.84 1.88 2.642(6) 150.3 .
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
O1 Si1 C1A C6A 11.6(6) . . . . ?
C1B Si1 C1A C6A -107.4(5) . . . . ?
C1C Si1 C1A C6A 131.7(5) . . . . ?
O1 Si1 C1A C2A -170.2(4) . . . . ?
C1B Si1 C1A C2A 70.8(5) . . . . ?
C1C Si1 C1A C2A -50.1(5) . . . . ?
C6A C1A C2A C3A 1.5(8) . . . . ?
Si1 C1A C2A C3A -176.8(4) . . . . ?
C1A C2A C3A C4A -1.0(9) . . . . ?
C2A C3A C4A C5A -0.4(10) . . . . ?
C3A C4A C5A C6A 1.1(10) . . . . ?
C4A C5A C6A C1A -0.6(10) . . . . ?
C2A C1A C6A C5A -0.7(9) . . . . ?
Si1 C1A C6A C5A 177.5(5) . . . . ?
O1 Si1 C1B C6B -6.7(5) . . . . ?
C1A Si1 C1B C6B 111.0(5) . . . . ?
C1C Si1 C1B C6B -129.0(4) . . . . ?
O1 Si1 C1B C2B 176.1(4) . . . . ?
C1A Si1 C1B C2B -66.2(5) . . . . ?
C1C Si1 C1B C2B 53.8(5) . . . . ?
C6B C1B C2B C3B -0.6(8) . . . . ?
Si1 C1B C2B C3B 176.8(4) . . . . ?
C1B C2B C3B C4B 0.8(8) . . . . ?
C2B C3B C4B C5B -0.8(8) . . . . ?
C3B C4B C5B C6B 0.5(9) . . . . ?
C4B C5B C6B C1B -0.2(9) . . . . ?
C2B C1B C6B C5B 0.3(8) . . . . ?
Si1 C1B C6B C5B -177.1(4) . . . . ?
O1 Si1 C1C C2C -113.4(5) . . . . ?
C1B Si1 C1C C2C 8.4(5) . . . . ?
C1A Si1 C1C C2C 128.3(5) . . . . ?
O1 Si1 C1C C6C 67.1(5) . . . . ?
C1B Si1 C1C C6C -171.0(4) . . . . ?
C1A Si1 C1C C6C -51.1(5) . . . . ?
C6C C1C C2C C3C 3.0(8) . . . . ?
Si1 C1C C2C C3C -176.5(4) . . . . ?
C1C C2C C3C C4C -1.0(9) . . . . ?
C2C C3C C4C C5C -1.7(9) . . . . ?
C3C C4C C5C C6C 2.2(10) . . . . ?
C4C C5C C6C C1C -0.1(10) . . . . ?
C2C C1C C6C C5C -2.4(9) . . . . ?
Si1 C1C C6C C5C 177.0(5) . . . . ?
O2 Si2 C1D C2D 68.5(5) . . . . ?
C1F Si2 C1D C2D -47.7(5) . . . . ?
C1E Si2 C1D C2D -170.7(5) . . . . ?
O2 Si2 C1D C6D -107.5(5) . . . . ?
C1F Si2 C1D C6D 136.3(5) . . . . ?
C1E Si2 C1D C6D 13.3(5) . . . . ?
C6D C1D C2D C3D -1.2(9) . . . . ?
Si2 C1D C2D C3D -177.3(5) . . . . ?
C1D C2D C3D C4D 0.3(10) . . . . ?
C2D C3D C4D C5D 0.9(10) . . . . ?
C3D C4D C5D C6D -1.1(10) . . . . ?
C4D C5D C6D C1D 0.2(9) . . . . ?
C2D C1D C6D C5D 0.9(9) . . . . ?
Si2 C1D C6D C5D 177.1(5) . . . . ?
O2 Si2 C1E C2E -158.3(4) . . . . ?
C1F Si2 C1E C2E -42.1(5) . . . . ?
C1D Si2 C1E C2E 80.1(5) . . . . ?
O2 Si2 C1E C6E 28.3(5) . . . . ?
C1F Si2 C1E C6E 144.5(5) . . . . ?
C1D Si2 C1E C6E -93.3(5) . . . . ?
C6E C1E C2E C3E 1.9(8) . . . . ?
Si2 C1E C2E C3E -171.8(5) . . . . ?
C1E C2E C3E C4E 0.6(10) . . . . ?
C2E C3E C4E C5E -2.2(10) . . . . ?
C3E C4E C5E C6E 1.4(10) . . . . ?
C4E C5E C6E C1E 1.3(10) . . . . ?
C2E C1E C6E C5E -2.9(9) . . . . ?
Si2 C1E C6E C5E 170.8(5) . . . . ?
O2 Si2 C1F C2F 23.5(7) . . . . ?
C1E Si2 C1F C2F -96.0(6) . . . . ?
C1D Si2 C1F C2F 143.7(6) . . . . ?
O2 Si2 C1F C6F -153.7(7) . . . . ?
C1E Si2 C1F C6F 86.8(8) . . . . ?
C1D Si2 C1F C6F -33.5(8) . . . . ?
C6F C1F C2F C3F -0.8(13) . . . . ?
Si2 C1F C2F C3F -178.2(7) . . . . ?
C1F C2F C3F C4F -4.8(15) . . . . ?
C2F C3F C4F C5F 7.6(15) . . . . ?
C3F C4F C5F C6F -4.9(17) . . . . ?
C2F C1F C6F C5F 3.6(16) . . . . ?
Si2 C1F C6F C5F -179.1(9) . . . . ?
C4F C5F C6F C1F -0.8(19) . . . . ?
O3 Si3 C1G C2G -122.6(5) . . . . ?
C1H Si3 C1G C2G -4.2(6) . . . . ?
C1I Si3 C1G C2G 120.5(5) . . . . ?
O3 Si3 C1G C6G 59.7(5) . . . . ?
C1H Si3 C1G C6G 178.1(4) . . . . ?
C1I Si3 C1G C6G -57.2(5) . . . . ?
C6G C1G C2G C3G -0.1(9) . . . . ?
Si3 C1G C2G C3G -177.8(5) . . . . ?
C1G C2G C3G C4G 0.5(10) . . . . ?
C2G C3G C4G C5G -0.3(11) . . . . ?
C3G C4G C5G C6G -0.3(11) . . . . ?
C4G C5G C6G C1G 0.6(10) . . . . ?
C2G C1G C6G C5G -0.4(9) . . . . ?
Si3 C1G C6G C5G 177.4(5) . . . . ?
O3 Si3 C1H C6H 45.8(7) . . . . ?
C1G Si3 C1H C6H -72.8(7) . . . . ?
C1I Si3 C1H C6H 162.9(6) . . . . ?
O3 Si3 C1H C2H -131.9(7) . . . . ?
C1G Si3 C1H C2H 109.5(7) . . . . ?
C1I Si3 C1H C2H -14.8(8) . . . . ?
C6H C1H C2H C3H 5.8(15) . . . . ?
Si3 C1H C2H C3H -176.4(9) . . . . ?
C1H C2H C3H C4H -3(2) . . . . ?
C2H C3H C4H C5H -2.0(19) . . . . ?
C3H C4H C5H C6H 3.4(16) . . . . ?
C2H C1H C6H C5H -4.4(14) . . . . ?
Si3 C1H C6H C5H 177.7(8) . . . . ?
C4H C5H C6H C1H -0.1(16) . . . . ?
O3 Si3 C1I C2I -172.9(4) . . . . ?
C1H Si3 C1I C2I 68.5(5) . . . . ?
C1G Si3 C1I C2I -54.5(5) . . . . ?
O3 Si3 C1I C6I 5.2(5) . . . . ?
C1H Si3 C1I C6I -113.4(5) . . . . ?
C1G Si3 C1I C6I 123.7(5) . . . . ?
C6I C1I C2I C3I 2.6(9) . . . . ?
Si3 C1I C2I C3I -179.3(4) . . . . ?
C1I C2I C3I C4I -2.3(9) . . . . ?
C2I C3I C4I C5I 0.7(9) . . . . ?
C3I C4I C5I C6I 0.5(10) . . . . ?
C4I C5I C6I C1I -0.2(10) . . . . ?
C2I C1I C6I C5I -1.3(9) . . . . ?
Si3 C1I C6I C5I -179.5(5) . . . . ?
O4 Si4 C1J C2J -163.2(7) . . . . ?
C1L Si4 C1J C2J -44.7(7) . . . . ?
C1K Si4 C1J C2J 78.2(7) . . . . ?
O4 Si4 C1J C6J 21.4(6) . . . . ?
C1L Si4 C1J C6J 139.9(5) . . . . ?
C1K Si4 C1J C6J -97.1(6) . . . . ?
C6J C1J C2J C3J -0.2(14) . . . . ?
Si4 C1J C2J C3J -175.7(8) . . . . ?
C1J C2J C3J C4J 1.1(18) . . . . ?
C2J C3J C4J C5J -1.4(15) . . . . ?
C3J C4J C5J C6J 0.9(14) . . . . ?
C2J C1J C6J C5J -0.4(12) . . . . ?
Si4 C1J C6J C5J 175.3(7) . . . . ?
C4J C5J C6J C1J 0.0(14) . . . . ?
O4 Si4 C1K C6K -79.9(5) . . . . ?
C1L Si4 C1K C6K 161.5(4) . . . . ?
C1J Si4 C1K C6K 36.5(5) . . . . ?
O4 Si4 C1K C2K 100.5(5) . . . . ?
C1L Si4 C1K C2K -18.1(5) . . . . ?
C1J Si4 C1K C2K -143.1(5) . . . . ?
C6K C1K C2K C3K -1.7(8) . . . . ?
Si4 C1K C2K C3K 177.9(5) . . . . ?
C1K C2K C3K C4K 0.6(9) . . . . ?
C2K C3K C4K C5K 0.8(9) . . . . ?
C3K C4K C5K C6K -1.2(9) . . . . ?
C4K C5K C6K C1K 0.0(9) . . . . ?
C2K C1K C6K C5K 1.4(8) . . . . ?
Si4 C1K C6K C5K -178.3(4) . . . . ?
O4 Si4 C1L C2L -173.0(4) . . . . ?
C1K Si4 C1L C2L -52.7(5) . . . . ?
C1J Si4 C1L C2L 68.9(5) . . . . ?
O4 Si4 C1L C6L 5.5(5) . . . . ?
C1K Si4 C1L C6L 125.8(4) . . . . ?
C1J Si4 C1L C6L -112.6(4) . . . . ?
C6L C1L C2L C3L 0.6(8) . . . . ?
Si4 C1L C2L C3L 179.1(4) . . . . ?
C1L C2L C3L C4L 0.0(9) . . . . ?
C2L C3L C4L C5L -0.7(9) . . . . ?
C3L C4L C5L C6L 0.8(9) . . . . ?
C4L C5L C6L C1L -0.1(8) . . . . ?
C2L C1L C6L C5L -0.6(8) . . . . ?
Si4 C1L C6L C5L -179.1(4) . . . . ?
O5 Si5 C1M C6M -172.9(4) . . . . ?
C1O Si5 C1M C6M -55.0(5) . . . . ?
C1N Si5 C1M C6M 66.4(5) . . . . ?
O5 Si5 C1M C2M 9.7(7) . . . . ?
C1O Si5 C1M C2M 127.6(6) . . . . ?
C1N Si5 C1M C2M -111.0(6) . . . . ?
C6M C1M C2M C3M -1.3(13) . . . . ?
Si5 C1M C2M C3M 176.2(8) . . . . ?
C1M C2M C3M C4M 1.4(16) . . . . ?
C2M C3M C4M C5M -0.5(14) . . . . ?
C3M C4M C5M C6M -0.4(11) . . . . ?
C4M C5M C6M C1M 0.4(10) . . . . ?
C2M C1M C6M C5M 0.4(10) . . . . ?
Si5 C1M C6M C5M -177.2(5) . . . . ?
O5 Si5 C1N C6N -145.0(5) . . . . ?
C1O Si5 C1N C6N 98.1(5) . . . . ?
C1M Si5 C1N C6N -24.8(5) . . . . ?
O5 Si5 C1N C2N 39.0(5) . . . . ?
C1O Si5 C1N C2N -78.0(5) . . . . ?
C1M Si5 C1N C2N 159.1(4) . . . . ?
C6N C1N C2N C3N -0.9(9) . . . . ?
Si5 C1N C2N C3N 175.4(5) . . . . ?
C1N C2N C3N C4N -0.6(10) . . . . ?
C2N C3N C4N C5N 1.2(10) . . . . ?
C3N C4N C5N C6N -0.4(10) . . . . ?
C4N C5N C6N C1N -1.2(10) . . . . ?
C2N C1N C6N C5N 1.8(9) . . . . ?
Si5 C1N C6N C5N -174.4(5) . . . . ?
O5 Si5 C1O C6O 42.0(5) . . . . ?
C1M Si5 C1O C6O -76.9(5) . . . . ?
C1N Si5 C1O C6O 160.5(5) . . . . ?
O5 Si5 C1O C2O -136.4(5) . . . . ?
C1M Si5 C1O C2O 104.7(5) . . . . ?
C1N Si5 C1O C2O -17.9(5) . . . . ?
C6O C1O C2O C3O 1.9(9) . . . . ?
Si5 C1O C2O C3O -179.6(5) . . . . ?
C1O C2O C3O C4O -1.5(10) . . . . ?
C2O C3O C4O C5O 0.0(10) . . . . ?
C3O C4O C5O C6O 1.1(11) . . . . ?
C2O C1O C6O C5O -0.8(9) . . . . ?
Si5 C1O C6O C5O -179.3(5) . . . . ?
C4O C5O C6O C1O -0.7(11) . . . . ?
O6 Si6 C1P C6P -120.6(5) . . . . ?
C1R Si6 C1P C6P 123.7(5) . . . . ?
C1Q Si6 C1P C6P -0.7(6) . . . . ?
O6 Si6 C1P C2P 55.6(5) . . . . ?
C1R Si6 C1P C2P -60.2(5) . . . . ?
C1Q Si6 C1P C2P 175.5(4) . . . . ?
C6P C1P C2P C3P -1.1(9) . . . . ?
Si6 C1P C2P C3P -177.5(5) . . . . ?
C1P C2P C3P C4P 1.2(10) . . . . ?
C2P C3P C4P C5P -1.3(9) . . . . ?
C3P C4P C5P C6P 1.3(8) . . . . ?
C4P C5P C6P C1P -1.2(8) . . . . ?
C2P C1P C6P C5P 1.1(8) . . . . ?
Si6 C1P C6P C5P 177.3(4) . . . . ?
O6 Si6 C1Q C2Q -0.8(5) . . . . ?
C1R Si6 C1Q C2Q 115.5(5) . . . . ?
C1P Si6 C1Q C2Q -122.1(5) . . . . ?
O6 Si6 C1Q C6Q 177.7(4) . . . . ?
C1R Si6 C1Q C6Q -66.0(5) . . . . ?
C1P Si6 C1Q C6Q 56.4(5) . . . . ?
C6Q C1Q C2Q C3Q -1.1(9) . . . . ?
Si6 C1Q C2Q C3Q 177.4(5) . . . . ?
C1Q C2Q C3Q C4Q 0.9(9) . . . . ?
C2Q C3Q C4Q C5Q -0.1(9) . . . . ?
C3Q C4Q C5Q C6Q -0.4(8) . . . . ?
C4Q C5Q C6Q C1Q 0.1(8) . . . . ?
C2Q C1Q C6Q C5Q 0.6(8) . . . . ?
Si6 C1Q C6Q C5Q -178.0(4) . . . . ?
O6 Si6 C1R C2R -147.4(4) . . . . ?
C1P Si6 C1R C2R -28.3(5) . . . . ?
C1Q Si6 C1R C2R 94.5(5) . . . . ?
O6 Si6 C1R C6R 34.3(5) . . . . ?
C1P Si6 C1R C6R 153.4(4) . . . . ?
C1Q Si6 C1R C6R -83.8(5) . . . . ?
C6R C1R C2R C3R 0.7(8) . . . . ?
Si6 C1R C2R C3R -177.6(4) . . . . ?
C1R C2R C3R C4R -0.1(9) . . . . ?
C2R C3R C4R C5R -1.0(9) . . . . ?
C3R C4R C5R C6R 1.4(9) . . . . ?
C4R C5R C6R C1R -0.8(9) . . . . ?
C2R C1R C6R C5R -0.3(8) . . . . ?
Si6 C1R C6R C5R 178.1(4) . . . . ?
O7 Si7 C1S C6S -151.1(5) . . . . ?
C1UU Si7 C1S C6S 87.1(7) . . . . ?
C1T Si7 C1S C6S -33.2(6) . . . . ?
C1U Si7 C1S C6S 89(2) . . . . ?
C1UR Si7 C1S C6S 91.3(9) . . . . ?
O7 Si7 C1S C2S 34.0(6) . . . . ?
C1UU Si7 C1S C2S -87.8(7) . . . . ?
C1T Si7 C1S C2S 151.9(5) . . . . ?
C1U Si7 C1S C2S -86(2) . . . . ?
C1UR Si7 C1S C2S -83.6(9) . . . . ?
C6S C1S C2S C3S -0.7(10) . . . . ?
Si7 C1S C2S C3S 174.4(5) . . . . ?
C1S C2S C3S C4S 0.1(10) . . . . ?
C2S C3S C4S C5S 0.3(11) . . . . ?
C3S C4S C5S C6S -0.1(10) . . . . ?
C2S C1S C6S C5S 0.8(9) . . . . ?
Si7 C1S C6S C5S -174.2(5) . . . . ?
C4S C5S C6S C1S -0.4(10) . . . . ?
O7 Si7 C1T C2T -144.3(8) . . . . ?
C1UU Si7 C1T C2T -24.4(9) . . . . ?
C1S Si7 C1T C2T 95.7(8) . . . . ?
C1U Si7 C1T C2T -28(2) . . . . ?
C1UR Si7 C1T C2T -25.6(11) . . . . ?
O7 Si7 C1T C6T 35.1(6) . . . . ?
C1UU Si7 C1T C6T 155.0(7) . . . . ?
C1S Si7 C1T C6T -84.9(6) . . . . ?
C1U Si7 C1T C6T 152(2) . . . . ?
C1UR Si7 C1T C6T 153.8(8) . . . . ?
C6T C1T C2T C3T 1.3(18) . . . . ?
Si7 C1T C2T C3T -179.2(11) . . . . ?
C1T C2T C3T C4T -2(2) . . . . ?
C2T C3T C4T C5T 0.4(19) . . . . ?
C3T C4T C5T C6T 1.2(14) . . . . ?
C2T C1T C6T C5T 0.3(13) . . . . ?
Si7 C1T C6T C5T -179.2(6) . . . . ?
C4T C5T C6T C1T -1.6(13) . . . . ?
O7 Si7 C1U C2U 30(6) . . . . ?
C1T Si7 C1U C2U -85(6) . . . . ?
C1S Si7 C1U C2U 151(5) . . . . ?
O7 Si7 C1U C6U -148(4) . . . . ?
C1T Si7 C1U C6U 97(5) . . . . ?
C1S Si7 C1U C6U -27(6) . . . . ?
C6U C1U C2U C3U -7(9) . . . . ?
Si7 C1U C2U C3U 175(4) . . . . ?
C1U C2U C3U C4U 13(8) . . . . ?
C2U C3U C4U C5U -13(7) . . . . ?
C3U C4U C5U C6U 9(7) . . . . ?
C2U C1U C6U C5U 3(7) . . . . ?
Si7 C1U C6U C5U -178(4) . . . . ?
C4U C5U C6U C1U -5(7) . . . . ?
C6UR C1UR C2UR C3UR 0.0 . . . . ?
Si7 C1UR C2UR C3UR 175.9(18) . . . . ?
C1UR C2UR C3UR C4UR 0.0 . . . . ?
C2UR C3UR C4UR C5UR 0.0 . . . . ?
C3UR C4UR C5UR C6UR 0.0 . . . . ?
C4UR C5UR C6UR C1UR 0.0 . . . . ?
C2UR C1UR C6UR C5UR 0.0 . . . . ?
Si7 C1UR C6UR C5UR -176.1(17) . . . . ?
O7 Si7 C1UU C2UU 64.7(6) . . . . ?
C1T Si7 C1UU C2UU -52.0(7) . . . . ?
C1S Si7 C1UU C2UU -174.3(5) . . . . ?
O7 Si7 C1UU C6UU -116.6(6) . . . . ?
C1T Si7 C1UU C6UU 126.7(6) . . . . ?
C1S Si7 C1UU C6UU 4.4(8) . . . . ?
C6UU C1UU C2UU C3UU 0.0 . . . . ?
Si7 C1UU C2UU C3UU 178.7(10) . . . . ?
C1UU C2UU C3UU C4UU 0.0 . . . . ?
C2UU C3UU C4UU C5UU 0.0 . . . . ?
C3UU C4UU C5UU C6UU 0.0 . . . . ?
C4UU C5UU C6UU C1UU 0.0 . . . . ?
C2UU C1UU C6UU C5UU 0.0 . . . . ?
Si7 C1UU C6UU C5UU -178.7(10) . . . . ?
O8 Si8 C1V C2V -129.8(5) . . . . ?
C1Z Si8 C1V C2V 113.9(6) . . . . ?
C1W Si8 C1V C2V -8.7(6) . . . . ?
O8 Si8 C1V C6V 49.4(6) . . . . ?
C1Z Si8 C1V C6V -66.9(6) . . . . ?
C1W Si8 C1V C6V 170.4(5) . . . . ?
C6V C1V C2V C3V 0.0(10) . . . . ?
Si8 C1V C2V C3V 179.2(6) . . . . ?
C1V C2V C3V C4V -0.2(12) . . . . ?
C2V C3V C4V C5V 0.1(13) . . . . ?
C3V C4V C5V C6V 0.2(12) . . . . ?
C4V C5V C6V C1V -0.4(11) . . . . ?
C2V C1V C6V C5V 0.2(10) . . . . ?
Si8 C1V C6V C5V -178.9(5) . . . . ?
O8 Si8 C1W C6W -164.8(5) . . . . ?
C1Z Si8 C1W C6W -49.6(5) . . . . ?
C1V Si8 C1W C6W 74.1(5) . . . . ?
O8 Si8 C1W C2W 12.1(6) . . . . ?
C1Z Si8 C1W C2W 127.3(5) . . . . ?
C1V Si8 C1W C2W -109.0(5) . . . . ?
C6W C1W C2W C3W 1.5(9) . . . . ?
Si8 C1W C2W C3W -175.5(5) . . . . ?
C1W C2W C3W C4W 0.3(9) . . . . ?
C2W C3W C4W C5W -1.7(9) . . . . ?
C3W C4W C5W C6W 1.4(10) . . . . ?
C4W C5W C6W C1W 0.3(10) . . . . ?
C2W C1W C6W C5W -1.8(9) . . . . ?
Si8 C1W C6W C5W 175.3(5) . . . . ?
O8 Si8 C1Z C2Z 57.8(5) . . . . ?
C1W Si8 C1Z C2Z -59.4(5) . . . . ?
C1V Si8 C1Z C2Z 176.1(5) . . . . ?
O8 Si8 C1Z C6Z -121.7(5) . . . . ?
C1W Si8 C1Z C6Z 121.1(5) . . . . ?
C1V Si8 C1Z C6Z -3.4(6) . . . . ?
C6Z C1Z C2Z C3Z 0.4(9) . . . . ?
Si8 C1Z C2Z C3Z -179.2(5) . . . . ?
C1Z C2Z C3Z C4Z -0.6(9) . . . . ?
C2Z C3Z C4Z C5Z -0.2(10) . . . . ?
C3Z C4Z C5Z C6Z 1.1(11) . . . . ?
C4Z C5Z C6Z C1Z -1.3(10) . . . . ?
C2Z C1Z C6Z C5Z 0.6(9) . . . . ?
Si8 C1Z C6Z C5Z -179.9(5) . . . . ?
O9 Si9 C1AA C2AA 12.8(5) . . . . ?
C1CA Si9 C1AA C2AA -106.5(5) . . . . ?
C1BA Si9 C1AA C2AA 129.7(5) . . . . ?
O9 Si9 C1AA C6AA -172.7(4) . . . . ?
C1CA Si9 C1AA C6AA 68.0(5) . . . . ?
C1BA Si9 C1AA C6AA -55.8(5) . . . . ?
C6AA C1AA C2AA C3AA -0.1(8) . . . . ?
Si9 C1AA C2AA C3AA 174.7(5) . . . . ?
C1AA C2AA C3AA C4AA -0.3(9) . . . . ?
C2AA C3AA C4AA C5AA 1.0(9) . . . . ?
C3AA C4AA C5AA C6AA -1.4(9) . . . . ?
C4AA C5AA C6AA C1AA 1.0(9) . . . . ?
C2AA C1AA C6AA C5AA -0.2(8) . . . . ?
Si9 C1AA C6AA C5AA -174.9(4) . . . . ?
O9 Si9 C1BA C6BA -129.9(5) . . . . ?
C1CA Si9 C1BA C6BA -9.7(6) . . . . ?
C1AA Si9 C1BA C6BA 112.2(5) . . . . ?
O9 Si9 C1BA C2BA 51.3(5) . . . . ?
C1CA Si9 C1BA C2BA 171.5(5) . . . . ?
C1AA Si9 C1BA C2BA -66.6(5) . . . . ?
C6BA C1BA C2BA C3BA 2.0(10) . . . . ?
Si9 C1BA C2BA C3BA -179.1(6) . . . . ?
C1BA C2BA C3BA C4BA -0.3(11) . . . . ?
C2BA C3BA C4BA C5BA -1.4(11) . . . . ?
C3BA C4BA C5BA C6BA 1.3(10) . . . . ?
C4BA C5BA C6BA C1BA 0.4(9) . . . . ?
C2BA C1BA C6BA C5BA -2.0(9) . . . . ?
Si9 C1BA C6BA C5BA 179.1(5) . . . . ?
O9 Si9 C1CA C6CA -116.4(5) . . . . ?
C1BA Si9 C1CA C6CA 125.4(5) . . . . ?
C1AA Si9 C1CA C6CA 2.0(6) . . . . ?
O9 Si9 C1CA C2CA 63.4(5) . . . . ?
C1BA Si9 C1CA C2CA -54.8(5) . . . . ?
C1AA Si9 C1CA C2CA -178.2(4) . . . . ?
C6CA C1CA C2CA C3CA -2.0(9) . . . . ?
Si9 C1CA C2CA C3CA 178.1(5) . . . . ?
C1CA C2CA C3CA C4CA 1.2(9) . . . . ?
C2CA C3CA C4CA C5CA 0.5(9) . . . . ?
C3CA C4CA C5CA C6CA -1.3(9) . . . . ?
C2CA C1CA C6CA C5CA 1.2(9) . . . . ?
Si9 C1CA C6CA C5CA -178.9(5) . . . . ?
C4CA C5CA C6CA C1CA 0.4(9) . . . . ?
O10 Si10 C1DA C6DA -150.3(5) . . . . ?
C1FA Si10 C1DA C6DA -31.3(6) . . . . ?
C1EA Si10 C1DA C6DA 93.0(5) . . . . ?
O10 Si10 C1DA C2DA 31.4(5) . . . . ?
C1FA Si10 C1DA C2DA 150.5(5) . . . . ?
C1EA Si10 C1DA C2DA -85.3(5) . . . . ?
C6DA C1DA C2DA C3DA -2.0(10) . . . . ?
Si10 C1DA C2DA C3DA 176.3(5) . . . . ?
C1DA C2DA C3DA C4DA 0.0(11) . . . . ?
C2DA C3DA C4DA C5DA 1.2(11) . . . . ?
C3DA C4DA C5DA C6DA -0.3(11) . . . . ?
C2DA C1DA C6DA C5DA 2.9(9) . . . . ?
Si10 C1DA C6DA C5DA -175.4(5) . . . . ?
C4DA C5DA C6DA C1DA -1.8(10) . . . . ?
O10 Si10 C1EA C2EA 114.3(5) . . . . ?
C1FA Si10 C1EA C2EA -4.4(6) . . . . ?
C1DA Si10 C1EA C2EA -130.0(5) . . . . ?
O10 Si10 C1EA C6EA -64.6(5) . . . . ?
C1FA Si10 C1EA C6EA 176.7(5) . . . . ?
C1DA Si10 C1EA C6EA 51.1(5) . . . . ?
C6EA C1EA C2EA C3EA -0.1(9) . . . . ?
Si10 C1EA C2EA C3EA -179.0(5) . . . . ?
C1EA C2EA C3EA C4EA 0.5(10) . . . . ?
C2EA C3EA C4EA C5EA -0.5(10) . . . . ?
C3EA C4EA C5EA C6EA 0.0(11) . . . . ?
C4EA C5EA C6EA C1EA 0.4(11) . . . . ?
C2EA C1EA C6EA C5EA -0.4(9) . . . . ?
Si10 C1EA C6EA C5EA 178.6(5) . . . . ?
O10 Si10 C1FA C6FA -178.0(5) . . . . ?
C1EA Si10 C1FA C6FA -59.4(5) . . . . ?
C1DA Si10 C1FA C6FA 64.2(5) . . . . ?
O10 Si10 C1FA C2FA 0.9(5) . . . . ?
C1EA Si10 C1FA C2FA 119.4(4) . . . . ?
C1DA Si10 C1FA C2FA -117.0(5) . . . . ?
C6FA C1FA C2FA C3FA 0.0(8) . . . . ?
Si10 C1FA C2FA C3FA -179.0(4) . . . . ?
C1FA C2FA C3FA C4FA -0.3(9) . . . . ?
C2FA C3FA C4FA C5FA -0.8(10) . . . . ?
C3FA C4FA C5FA C6FA 2.3(10) . . . . ?
C4FA C5FA C6FA C1FA -2.7(10) . . . . ?
C2FA C1FA C6FA C5FA 1.6(9) . . . . ?
Si10 C1FA C6FA C5FA -179.6(5) . . . . ?
O11 Si11 C1GA C6GA -176.5(5) . . . . ?
O11 Si11 C1GA C2GA 1.8(7) . . . . ?
C6GA C1GA C2GA C3GA -0.9(12) . . . . ?
Si11 C1GA C2GA C3GA -179.2(7) . . . . ?
C1GA C2GA C3GA C4GA 0.1(14) . . . . ?
C2GA C3GA C4GA C5GA 0.5(12) . . . . ?
C3GA C4GA C5GA C6GA -0.1(11) . . . . ?
C2GA C1GA C6GA C5GA 1.2(10) . . . . ?
Si11 C1GA C6GA C5GA 179.6(5) . . . . ?
C4GA C5GA C6GA C1GA -0.7(11) . . . . ?
C6HA C1HA C2HA C3HA 0.0 . . . . ?
C1HA C2HA C3HA C4HA 0.0 . . . . ?
C2HA C3HA C4HA C5HA 0.0 . . . . ?
C3HA C4HA C5HA C6HA 0.0 . . . . ?
C4HA C5HA C6HA C1HA 0.0 . . . . ?
C2HA C1HA C6HA C5HA 0.0 . . . . ?
C6HB C1HB C2HB C3HB 0.0 . . . . ?
C1HB C2HB C3HB C4HB 0.0 . . . . ?
C2HB C3HB C4HB C5HB 0.0 . . . . ?
C3HB C4HB C5HB C6HB 0.0 . . . . ?
C4HB C5HB C6HB C1HB 0.0 . . . . ?
C2HB C1HB C6HB C5HB 0.0 . . . . ?
C6IA C1IA C2IA C3IA 0.0 . . . . ?
C1IA C2IA C3IA C4IA 0.0 . . . . ?
C2IA C3IA C4IA C5IA 0.0 . . . . ?
C3IA C4IA C5IA C6IA 0.0 . . . . ?
C4IA C5IA C6IA C1IA 0.0 . . . . ?
C2IA C1IA C6IA C5IA 0.0 . . . . ?
C6IB C1IB C2IB C3IB 0.0 . . . . ?
C1IB C2IB C3IB C4IB 0.0 . . . . ?
C2IB C3IB C4IB C5IB 0.0 . . . . ?
C3IB C4IB C5IB C6IB 0.0 . . . . ?
C4IB C5IB C6IB C1IB 0.0 . . . . ?
C2IB C1IB C6IB C5IB 0.0 . . . . ?
C6JA C1JA C2JA C3JA 0.0 . . . . ?
C1JA C2JA C3JA C4JA 0.0 . . . . ?
C2JA C3JA C4JA C5JA 0.0 . . . . ?
C3JA C4JA C5JA C6JA 0.0 . . . . ?
C4JA C5JA C6JA C1JA 0.0 . . . . ?
C2JA C1JA C6JA C5JA 0.0 . . . . ?
C6JB C1JB C2JB C3JB 0.0 . . . . ?
C1JB C2JB C3JB C4JB 0.0 . . . . ?
C2JB C3JB C4JB C5JB 0.0 . . . . ?
C3JB C4JB C5JB C6JB 0.0 . . . . ?
C4JB C5JB C6JB C1JB 0.0 . . . . ?
C2JB C1JB C6JB C5JB 0.0 . . . . ?
C6KA C1KA C2KA C3KA 0.0 . . . . ?
C1KA C2KA C3KA C4KA 0.0 . . . . ?
C2KA C3KA C4KA C5KA 0.0 . . . . ?
C3KA C4KA C5KA C6KA 0.0 . . . . ?
C4KA C5KA C6KA C1KA 0.0 . . . . ?
C2KA C1KA C6KA C5KA 0.0 . . . . ?
C6KB C1KB C2KB C3KB 0.0 . . . . ?
C1KB C2KB C3KB C4KB 0.0 . . . . ?
C2KB C3KB C4KB C5KB 0.0 . . . . ?
C3KB C4KB C5KB C6KB 0.0 . . . . ?
C4KB C5KB C6KB C1KB 0.0 . . . . ?
C2KB C1KB C6KB C5KB 0.0 . . . . ?
O12 Si12 C1LA C2LA -165.8(5) . . . . ?
O12 Si12 C1LA C6LA 17.3(6) . . . . ?
C6LA C1LA C2LA C3LA 1.1(9) . . . . ?
Si12 C1LA C2LA C3LA -175.8(5) . . . . ?
C1LA C2LA C3LA C4LA 1.2(10) . . . . ?
C2LA C3LA C4LA C5LA -2.5(11) . . . . ?
C3LA C4LA C5LA C6LA 1.4(11) . . . . ?
C4LA C5LA C6LA C1LA 1.0(10) . . . . ?
C2LA C1LA C6LA C5LA -2.3(9) . . . . ?
Si12 C1LA C6LA C5LA 174.7(5) . . . . ?
O13 Si13 C1MA C6MA -130.1(5) . . . . ?
C1OA Si13 C1MA C6MA -9.5(6) . . . . ?
C1NA Si13 C1MA C6MA 114.4(5) . . . . ?
O13 Si13 C1MA C2MA 48.1(8) . . . . ?
C1OA Si13 C1MA C2MA 168.7(7) . . . . ?
C1NA Si13 C1MA C2MA -67.4(8) . . . . ?
C6MA C1MA C2MA C3MA -0.4(16) . . . . ?
Si13 C1MA C2MA C3MA -178.7(10) . . . . ?
C1MA C2MA C3MA C4MA 1(2) . . . . ?
C2MA C3MA C4MA C5MA -2(2) . . . . ?
C3MA C4MA C5MA C6MA 2.2(16) . . . . ?
C2MA C1MA C6MA C5MA 1.0(11) . . . . ?
Si13 C1MA C6MA C5MA 179.1(5) . . . . ?
C4MA C5MA C6MA C1MA -1.9(11) . . . . ?
O13 Si13 C1NA C6NA -142.5(5) . . . . ?
C1MA Si13 C1NA C6NA -23.9(6) . . . . ?
C1OA Si13 C1NA C6NA 99.3(5) . . . . ?
O13 Si13 C1NA C2NA 37.9(5) . . . . ?
C1MA Si13 C1NA C2NA 156.5(5) . . . . ?
C1OA Si13 C1NA C2NA -80.3(5) . . . . ?
C6NA C1NA C2NA C3NA -0.5(9) . . . . ?
Si13 C1NA C2NA C3NA 179.1(5) . . . . ?
C1NA C2NA C3NA C4NA -0.5(10) . . . . ?
C2NA C3NA C4NA C5NA 1.3(10) . . . . ?
C3NA C4NA C5NA C6NA -1.0(11) . . . . ?
C2NA C1NA C6NA C5NA 0.8(10) . . . . ?
Si13 C1NA C6NA C5NA -178.8(5) . . . . ?
C4NA C5NA C6NA C1NA 0.0(11) . . . . ?
O13 Si13 C1OA C6OA 0.9(6) . . . . ?
C1MA Si13 C1OA C6OA -120.5(5) . . . . ?
C1NA Si13 C1OA C6OA 117.1(5) . . . . ?
O13 Si13 C1OA C2OA -179.4(4) . . . . ?
C1MA Si13 C1OA C2OA 59.2(5) . . . . ?
C1NA Si13 C1OA C2OA -63.3(5) . . . . ?
C6OA C1OA C2OA C3OA 0.0(8) . . . . ?
Si13 C1OA C2OA C3OA -179.7(4) . . . . ?
C1OA C2OA C3OA C4OA 0.3(8) . . . . ?
C2OA C3OA C4OA C5OA -0.2(8) . . . . ?
C3OA C4OA C5OA C6OA -0.2(9) . . . . ?
C2OA C1OA C6OA C5OA -0.4(9) . . . . ?
Si13 C1OA C6OA C5OA 179.2(5) . . . . ?
C4OA C5OA C6OA C1OA 0.5(10) . . . . ?
O14 Si14 C1PA C2PA -149.0(5) . . . . ?
C1RA Si14 C1PA C2PA 90.3(6) . . . . ?
C1QA Si14 C1PA C2PA -32.1(6) . . . . ?
O14 Si14 C1PA C6PA 33.9(6) . . . . ?
C1RA Si14 C1PA C6PA -86.8(5) . . . . ?
C1QA Si14 C1PA C6PA 150.8(5) . . . . ?
C6PA C1PA C2PA C3PA 0.4(10) . . . . ?
Si14 C1PA C2PA C3PA -176.8(6) . . . . ?
C1PA C2PA C3PA C4PA 0.3(13) . . . . ?
C2PA C3PA C4PA C5PA -0.5(13) . . . . ?
C3PA C4PA C5PA C6PA -0.1(11) . . . . ?
C4PA C5PA C6PA C1PA 0.9(11) . . . . ?
C2PA C1PA C6PA C5PA -1.1(10) . . . . ?
Si14 C1PA C6PA C5PA 176.2(5) . . . . ?
O14 Si14 C1QA C2QA -137.5(9) . . . . ?
C1RA Si14 C1QA C2QA -17.4(10) . . . . ?
C1PA Si14 C1QA C2QA 104.1(9) . . . . ?
O14 Si14 C1QA C6QA 43.0(7) . . . . ?
C1RA Si14 C1QA C6QA 163.1(6) . . . . ?
C1PA Si14 C1QA C6QA -75.4(6) . . . . ?
C6QA C1QA C2QA C3QA 4.4(18) . . . . ?
Si14 C1QA C2QA C3QA -175.1(11) . . . . ?
C1QA C2QA C3QA C4QA -6(2) . . . . ?
C2QA C3QA C4QA C5QA 4.2(19) . . . . ?
C3QA C4QA C5QA C6QA -1.2(13) . . . . ?
C4QA C5QA C6QA C1QA -0.2(11) . . . . ?
C2QA C1QA C6QA C5QA -1.4(13) . . . . ?
Si14 C1QA C6QA C5QA 178.1(5) . . . . ?
O14 Si14 C1RA C6RA 35.6(8) . . . . ?
C1PA Si14 C1RA C6RA 155.6(8) . . . . ?
C1QA Si14 C1RA C6RA -82.4(8) . . . . ?
O14 Si14 C1RA C2RA -144.5(7) . . . . ?
C1PA Si14 C1RA C2RA -24.5(8) . . . . ?
C1QA Si14 C1RA C2RA 97.5(8) . . . . ?
C6RA C1RA C2RA C3RA -0.2(16) . . . . ?
Si14 C1RA C2RA C3RA 179.9(9) . . . . ?
C1RA C2RA C3RA C4RA 1.8(18) . . . . ?
C2RA C3RA C4RA C5RA -3.7(17) . . . . ?
C3RA C4RA C5RA C6RA 4.0(18) . . . . ?
C2RA C1RA C6RA C5RA 0.6(17) . . . . ?
Si14 C1RA C6RA C5RA -179.5(10) . . . . ?
C4RA C5RA C6RA C1RA -3(2) . . . . ?
O15 Si15 C1SA C2SA -165.1(5) . . . . ?
C1TA Si15 C1SA C2SA -49.1(6) . . . . ?
C1UA Si15 C1SA C2SA 74.6(5) . . . . ?
O15 Si15 C1SA C6SA 14.4(6) . . . . ?
C1TA Si15 C1SA C6SA 130.4(5) . . . . ?
C1UA Si15 C1SA C6SA -105.9(5) . . . . ?
C6SA C1SA C2SA C3SA -0.9(9) . . . . ?
Si15 C1SA C2SA C3SA 178.7(5) . . . . ?
C1SA C2SA C3SA C4SA -0.4(9) . . . . ?
C2SA C3SA C4SA C5SA 1.1(9) . . . . ?
C3SA C4SA C5SA C6SA -0.5(10) . . . . ?
C2SA C1SA C6SA C5SA 1.4(9) . . . . ?
Si15 C1SA C6SA C5SA -178.1(5) . . . . ?
C4SA C5SA C6SA C1SA -0.8(10) . . . . ?
O15 Si15 C1TA C6TA -120.0(5) . . . . ?
C1UA Si15 C1TA C6TA -1.9(6) . . . . ?
C1SA Si15 C1TA C6TA 122.0(5) . . . . ?
O15 Si15 C1TA C2TA 60.1(5) . . . . ?
C1UA Si15 C1TA C2TA 178.2(4) . . . . ?
C1SA Si15 C1TA C2TA -57.9(5) . . . . ?
C6TA C1TA C2TA C3TA -0.2(8) . . . . ?
Si15 C1TA C2TA C3TA 179.7(4) . . . . ?
C1TA C2TA C3TA C4TA -0.8(9) . . . . ?
C2TA C3TA C4TA C5TA 1.1(10) . . . . ?
C3TA C4TA C5TA C6TA -0.5(10) . . . . ?
C4TA C5TA C6TA C1TA -0.5(10) . . . . ?
C2TA C1TA C6TA C5TA 0.8(9) . . . . ?
Si15 C1TA C6TA C5TA -179.1(5) . . . . ?
O15 Si15 C1UA C2UA -132.7(5) . . . . ?
C1TA Si15 C1UA C2UA 111.0(5) . . . . ?
C1SA Si15 C1UA C2UA -12.1(6) . . . . ?
O15 Si15 C1UA C6UA 45.7(6) . . . . ?
C1TA Si15 C1UA C6UA -70.7(5) . . . . ?
C1SA Si15 C1UA C6UA 166.2(5) . . . . ?
C6UA C1UA C2UA C3UA 0.2(10) . . . . ?
Si15 C1UA C2UA C3UA 178.5(6) . . . . ?
C1UA C2UA C3UA C4UA 0.8(12) . . . . ?
C2UA C3UA C4UA C5UA -1.2(12) . . . . ?
C3UA C4UA C5UA C6UA 0.6(11) . . . . ?
C4UA C5UA C6UA C1UA 0.4(11) . . . . ?
C2UA C1UA C6UA C5UA -0.8(10) . . . . ?
Si15 C1UA C6UA C5UA -179.2(5) . . . . ?
O16 Si16 C1VA C6VA 54.3(5) . . . . ?
C1ZA Si16 C1VA C6VA 173.2(5) . . . . ?
C1WA Si16 C1VA C6VA -65.4(5) . . . . ?
O16 Si16 C1VA C2VA -124.5(5) . . . . ?
C1ZA Si16 C1VA C2VA -5.7(5) . . . . ?
C1WA Si16 C1VA C2VA 115.7(5) . . . . ?
C6VA C1VA C2VA C3VA 1.0(8) . . . . ?
Si16 C1VA C2VA C3VA 180.0(4) . . . . ?
C1VA C2VA C3VA C4VA -0.6(9) . . . . ?
C2VA C3VA C4VA C5VA 0.0(10) . . . . ?
C3VA C4VA C5VA C6VA 0.1(11) . . . . ?
C4VA C5VA C6VA C1VA 0.3(11) . . . . ?
C2VA C1VA C6VA C5VA -0.9(10) . . . . ?
Si16 C1VA C6VA C5VA -179.8(6) . . . . ?
O16 Si16 C1WA C6WA -160.8(4) . . . . ?
C1ZA Si16 C1WA C6WA 79.7(5) . . . . ?
C1VA Si16 C1WA C6WA -42.3(5) . . . . ?
O16 Si16 C1WA C2WA 22.4(7) . . . . ?
C1ZA Si16 C1WA C2WA -97.2(6) . . . . ?
C1VA Si16 C1WA C2WA 140.9(6) . . . . ?
C6WA C1WA C2WA C3WA -2.1(11) . . . . ?
Si16 C1WA C2WA C3WA 174.8(7) . . . . ?
C1WA C2WA C3WA C4WA 1.1(13) . . . . ?
C2WA C3WA C4WA C5WA 0.8(12) . . . . ?
C3WA C4WA C5WA C6WA -1.6(10) . . . . ?
C2WA C1WA C6WA C5WA 1.3(9) . . . . ?
Si16 C1WA C6WA C5WA -175.8(5) . . . . ?
C4WA C5WA C6WA C1WA 0.6(9) . . . . ?
O16 Si16 C1ZA C6ZA -140.1(5) . . . . ?
C1VA Si16 C1ZA C6ZA 101.8(5) . . . . ?
C1WA Si16 C1ZA C6ZA -20.1(6) . . . . ?
O16 Si16 C1ZA C2ZA 39.8(5) . . . . ?
C1VA Si16 C1ZA C2ZA -78.2(5) . . . . ?
C1WA Si16 C1ZA C2ZA 159.8(4) . . . . ?
C6ZA C1ZA C2ZA C3ZA -0.7(9) . . . . ?
Si16 C1ZA C2ZA C3ZA 179.3(5) . . . . ?
C1ZA C2ZA C3ZA C4ZA 0.1(10) . . . . ?
C2ZA C3ZA C4ZA C5ZA 0.3(10) . . . . ?
C3ZA C4ZA C5ZA C6ZA -0.1(11) . . . . ?
C4ZA C5ZA C6ZA C1ZA -0.6(11) . . . . ?
C2ZA C1ZA C6ZA C5ZA 1.0(9) . . . . ?
Si16 C1ZA C6ZA C5ZA -179.1(5) . . . . ?
