#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:03:52 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193781 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/18/7041851.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7041851
loop_
_publ_author_name
'Gießmann, Stephan'
'Lorenz, Volker'
'Liebing, Phil'
'Hilfert, Liane'
'Fischer, Axel'
'Edelmann, Frank T.'
_publ_section_title
;
 Synthesis and structural study of new metallasilsesquioxanes of potassium
 and uranium.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2415
_journal_page_last               2419
_journal_paper_doi               10.1039/c7dt00006e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C100 H194 K6 O32 Si14'
_chemical_formula_sum            'C100 H194 K6 O32 Si14'
_chemical_formula_weight         2536.40
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2016-12-19 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                101.994(3)
_cell_angle_beta                 96.467(3)
_cell_angle_gamma                115.554(3)
_cell_formula_units_Z            1
_cell_length_a                   15.1248(6)
_cell_length_b                   15.1905(6)
_cell_length_c                   16.8898(6)
_cell_measurement_reflns_used    5929
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      1.6
_cell_volume                     3333.3(3)
_computing_cell_refinement       'SMART CCD System (Bruker)'
_computing_data_collection       'SMART CCD System (Bruker)'
_computing_data_reduction        'SMART CCD System (Bruker)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'SMART CCD System (Bruker)'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.1178
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17619
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.551
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.389
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.9
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Bruker/Siemens, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_description       plate
_exptl_crystal_F_000             1360
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: 1,2-Dimethoxyethane'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0342P)²+0.7959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1275
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6880
_reflns_number_total             11495
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00006e2.cif
_cod_data_source_block           Loka
_cod_depositor_comments
'Adding full bibliography for 7041851--7041852.cif.'
_cod_original_cell_volume        3333.3(2)
_cod_database_code               7041851
_shelx_shelxl_version_number     2016/4
_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   0.909
_shelx_estimated_absorpt_t_max   0.970
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
C11 C 0.1938(3) 0.5220(3) 0.2183(3) 0.0298(11) Uani 1 1 d . .
H11 H 0.129199 0.515665 0.189016 0.036 Uiso 1 1 calc R U
C12 C 0.1691(4) 0.4749(3) 0.2902(3) 0.0431(14) Uani 1 1 d . .
H12A H 0.231355 0.480649 0.322171 0.052 Uiso 1 1 calc R U
H12B H 0.144667 0.513788 0.328127 0.052 Uiso 1 1 calc R U
C13 C 0.0899(4) 0.3637(4) 0.2603(4) 0.070(2) Uani 1 1 d . .
H13A H 0.025079 0.358191 0.234199 0.084 Uiso 1 1 calc R U
H13B H 0.080062 0.335524 0.308296 0.084 Uiso 1 1 calc R U
C14 C 0.1220(5) 0.3018(4) 0.1971(5) 0.077(2) Uani 1 1 d . .
H14A H 0.183200 0.301653 0.224699 0.092 Uiso 1 1 calc R U
H14B H 0.067843 0.230436 0.176169 0.092 Uiso 1 1 calc R U
C15 C 0.1430(5) 0.3459(4) 0.1251(4) 0.071(2) Uani 1 1 d . .
H15A H 0.080136 0.340282 0.094521 0.086 Uiso 1 1 calc R U
H15B H 0.166071 0.306262 0.086440 0.086 Uiso 1 1 calc R U
C16 C 0.2236(4) 0.4580(3) 0.1547(3) 0.0435(14) Uani 1 1 d . .
H16A H 0.233107 0.485530 0.106325 0.052 Uiso 1 1 calc R U
H16B H 0.288406 0.462938 0.180214 0.052 Uiso 1 1 calc R U
C21 C 0.2264(3) 0.6975(3) 0.0018(3) 0.0259(10) Uani 1 1 d . .
H21 H 0.213290 0.741514 -0.029374 0.031 Uiso 1 1 calc R U
C22 C 0.1254(3) 0.6023(4) -0.0114(3) 0.0417(13) Uani 1 1 d . .
H22A H 0.134887 0.559867 0.022611 0.050 Uiso 1 1 calc R U
H22B H 0.076413 0.623454 0.008316 0.050 Uiso 1 1 calc R U
C23 C 0.0820(4) 0.5380(4) -0.1027(3) 0.0533(15) Uani 1 1 d . .
H23A H 0.019884 0.475152 -0.107034 0.064 Uiso 1 1 calc R U
H23B H 0.064027 0.576863 -0.135937 0.064 Uiso 1 1 calc R U
C24 C 0.1576(4) 0.5099(4) -0.1371(3) 0.0586(16) Uani 1 1 d . .
H24A H 0.170411 0.465446 -0.107290 0.070 Uiso 1 1 calc R U
H24B H 0.129270 0.471317 -0.196640 0.070 Uiso 1 1 calc R U
C25 C 0.2558(4) 0.6034(4) -0.1280(3) 0.0535(16) Uani 1 1 d . .
H25A H 0.244149 0.645011 -0.161785 0.064 Uiso 1 1 calc R U
H25B H 0.304255 0.582321 -0.149076 0.064 Uiso 1 1 calc R U
C26 C 0.3004(4) 0.6675(4) -0.0367(3) 0.0435(14) Uani 1 1 d . .
H26A H 0.362495 0.729997 -0.033089 0.052 Uiso 1 1 calc R U
H26B H 0.319172 0.628304 -0.004339 0.052 Uiso 1 1 calc R U
C31 C 0.6181(3) 0.9759(3) 0.1630(3) 0.0282(11) Uani 1 1 d . .
H31 H 0.631628 0.916577 0.145875 0.034 Uiso 1 1 calc R U
C32 C 0.7065(3) 1.0554(4) 0.2358(3) 0.0432(13) Uani 1 1 d . .
H32A H 0.695558 1.115366 0.254992 0.052 Uiso 1 1 calc R U
H32B H 0.707848 1.025918 0.282662 0.052 Uiso 1 1 calc R U
C33 C 0.8086(4) 1.0902(4) 0.2113(4) 0.0591(17) Uani 1 1 d . .
H33A H 0.862435 1.143927 0.258798 0.071 Uiso 1 1 calc R U
H33B H 0.823318 1.031962 0.197909 0.071 Uiso 1 1 calc R U
C34 C 0.8077(4) 1.1310(4) 0.1366(4) 0.0564(16) Uani 1 1 d . .
H34A H 0.872182 1.148279 0.119415 0.068 Uiso 1 1 calc R U
H34B H 0.800949 1.193970 0.152113 0.068 Uiso 1 1 calc R U
C35 C 0.7211(4) 1.0529(4) 0.0643(3) 0.0471(14) Uani 1 1 d . .
H35A H 0.731728 0.992800 0.045154 0.057 Uiso 1 1 calc R U
H35B H 0.720122 1.082649 0.017546 0.057 Uiso 1 1 calc R U
C36 C 0.6195(3) 1.0190(4) 0.0888(3) 0.0367(12) Uani 1 1 d . .
H36A H 0.605853 1.077818 0.102963 0.044 Uiso 1 1 calc R U
H36B H 0.565453 0.966369 0.040844 0.044 Uiso 1 1 calc R U
C41 C 0.5865(3) 0.7292(3) 0.2398(3) 0.0259(11) Uani 1 1 d . .
H41 H 0.651752 0.789179 0.242932 0.031 Uiso 1 1 calc R U
C42 C 0.6122(4) 0.6533(4) 0.2710(3) 0.0400(13) Uani 1 1 d . .
H42A H 0.649377 0.684792 0.329912 0.048 Uiso 1 1 calc R U
H42B H 0.549049 0.592250 0.268009 0.048 Uiso 1 1 calc R U
C43 C 0.6760(4) 0.6210(4) 0.2197(3) 0.0567(16) Uani 1 1 d . .
H43A H 0.741639 0.680981 0.226342 0.068 Uiso 1 1 calc R U
H43B H 0.689135 0.570437 0.240525 0.068 Uiso 1 1 calc R U
C44 C 0.6228(5) 0.5749(4) 0.1282(3) 0.0546(16) Uani 1 1 d . .
H44A H 0.561453 0.510254 0.121026 0.066 Uiso 1 1 calc R U
H44B H 0.667665 0.559198 0.096093 0.066 Uiso 1 1 calc R U
C45 C 0.5937(4) 0.6464(4) 0.0940(3) 0.0416(13) Uani 1 1 d . .
H45A H 0.554015 0.611239 0.035962 0.050 Uiso 1 1 calc R U
H45B H 0.655420 0.706942 0.093678 0.050 Uiso 1 1 calc R U
C46 C 0.5315(3) 0.6804(3) 0.1467(3) 0.0336(12) Uani 1 1 d . .
H46A H 0.466089 0.620701 0.141245 0.040 Uiso 1 1 calc R U
H46B H 0.517779 0.730234 0.125341 0.040 Uiso 1 1 calc R U
C51 C 0.1301(3) 0.7638(3) 0.4201(3) 0.0304(11) Uani 1 1 d . .
H51 H 0.113149 0.820373 0.439267 0.037 Uiso 1 1 calc R U
C52 C 0.0369(3) 0.6775(4) 0.3547(3) 0.0404(13) Uani 1 1 d . .
H52A H 0.051868 0.621189 0.331985 0.048 Uiso 1 1 calc R U
H52B H 0.022308 0.703249 0.308255 0.048 Uiso 1 1 calc R U
C53 C -0.0569(4) 0.6363(4) 0.3916(4) 0.0617(17) Uani 1 1 d . .
H53A H -0.077404 0.689929 0.407810 0.074 Uiso 1 1 calc R U
H53B H -0.113297 0.577556 0.349010 0.074 Uiso 1 1 calc R U
C54 C -0.0344(4) 0.6036(5) 0.4669(4) 0.0638(18) Uani 1 1 d . .
H54A H -0.094342 0.580460 0.490998 0.077 Uiso 1 1 calc R U
H54B H -0.020761 0.545153 0.449132 0.077 Uiso 1 1 calc R U
C55 C 0.0550(4) 0.6883(4) 0.5329(3) 0.0516(15) Uani 1 1 d . .
H55A H 0.068963 0.662396 0.579385 0.062 Uiso 1 1 calc R U
H55B H 0.039125 0.744165 0.555059 0.062 Uiso 1 1 calc R U
C56 C 0.1492(4) 0.7298(4) 0.4961(3) 0.0403(13) Uani 1 1 d . .
H56A H 0.205450 0.788090 0.539179 0.048 Uiso 1 1 calc R U
H56B H 0.169646 0.675943 0.480338 0.048 Uiso 1 1 calc R U
C61 C 0.0953(3) 0.9159(3) 0.1951(3) 0.0269(11) Uani 1 1 d . .
H61 H 0.080559 0.945437 0.247510 0.032 Uiso 1 1 calc R U
C62 C 0.0053(3) 0.8102(3) 0.1546(3) 0.0456(14) Uani 1 1 d . .
H62A H -0.001461 0.767740 0.192999 0.055 Uiso 1 1 calc R U
H62B H 0.017991 0.777187 0.103203 0.055 Uiso 1 1 calc R U
C63 C -0.0934(4) 0.8151(4) 0.1329(4) 0.0622(17) Uani 1 1 d . .
H63A H -0.148313 0.745705 0.103862 0.075 Uiso 1 1 calc R U
H63B H -0.110385 0.840374 0.184890 0.075 Uiso 1 1 calc R U
C64 C -0.0859(4) 0.8846(4) 0.0779(4) 0.0540(15) Uani 1 1 d . .
H64A H -0.149035 0.889895 0.068748 0.065 Uiso 1 1 calc R U
H64B H -0.077248 0.855003 0.023139 0.065 Uiso 1 1 calc R U
C65 C 0.0029(4) 0.9905(4) 0.1182(3) 0.0501(15) Uani 1 1 d . .
H65A H 0.009067 1.033017 0.079842 0.060 Uiso 1 1 calc R U
H65B H -0.009717 1.023136 0.169777 0.060 Uiso 1 1 calc R U
C66 C 0.1007(4) 0.9853(3) 0.1388(3) 0.0383(12) Uani 1 1 d . .
H66A H 0.155916 1.054828 0.167042 0.046 Uiso 1 1 calc R U
H66B H 0.116689 0.959444 0.086460 0.046 Uiso 1 1 calc R U
C71 C 0.4533(3) 1.1913(3) 0.2221(3) 0.0269(11) Uani 1 1 d . .
H71 H 0.527564 1.234556 0.230884 0.032 Uiso 1 1 calc R U
C72 C 0.4094(4) 1.2618(3) 0.2554(3) 0.0393(13) Uani 1 1 d . .
H72A H 0.336860 1.219967 0.252103 0.047 Uiso 1 1 calc R U
H72B H 0.443100 1.298121 0.314701 0.047 Uiso 1 1 calc R U
C73 C 0.4217(5) 1.3396(4) 0.2078(3) 0.0543(16) Uani 1 1 d . .
H73A H 0.388438 1.379969 0.229606 0.065 Uiso 1 1 calc R U
H73B H 0.494229 1.386895 0.216433 0.065 Uiso 1 1 calc R U
C74 C 0.3766(4) 1.2885(4) 0.1156(3) 0.0510(15) Uani 1 1 d . .
H74A H 0.388620 1.340943 0.085947 0.061 Uiso 1 1 calc R U
H74B H 0.302894 1.246094 0.106276 0.061 Uiso 1 1 calc R U
C75 C 0.4231(4) 1.2219(4) 0.0810(3) 0.0451(14) Uani 1 1 d . .
H75A H 0.495726 1.265295 0.085709 0.054 Uiso 1 1 calc R U
H75B H 0.390693 1.186789 0.021313 0.054 Uiso 1 1 calc R U
C76 C 0.4103(4) 1.1421(3) 0.1281(3) 0.0369(12) Uani 1 1 d . .
H76A H 0.337808 1.093874 0.117834 0.044 Uiso 1 1 calc R U
H76B H 0.444811 1.103022 0.106444 0.044 Uiso 1 1 calc R U
C100 C 0.1704(5) 1.1912(5) 0.3575(4) 0.084(2) Uani 1 1 d . .
H10A H 0.226989 1.204872 0.330282 0.100 Uiso 1 1 calc R U
H10B H 0.108657 1.135800 0.319087 0.100 Uiso 1 1 calc R U
H10C H 0.162349 1.252690 0.373142 0.100 Uiso 1 1 calc R U
C101 C 0.1125(6) 1.1429(6) 0.4697(5) 0.092(3) Uani 1 1 d . .
H10D H 0.050211 1.084137 0.433024 0.111 Uiso 1 1 calc R U
H10E H 0.099985 1.202575 0.482547 0.111 Uiso 1 1 calc R U
C102 C 0.1370(7) 1.1199(6) 0.5477(4) 0.103(3) Uani 1 1 d . .
H10F H 0.201823 1.176568 0.582566 0.123 Uiso 1 1 calc R U
H10G H 0.084190 1.113891 0.579034 0.123 Uiso 1 1 calc R U
C103 C 0.1773(5) 1.0090(5) 0.6041(4) 0.0722(19) Uani 1 1 d . .
H10H H 0.180515 0.944792 0.588473 0.087 Uiso 1 1 calc R U
H10I H 0.244243 1.064414 0.633740 0.087 Uiso 1 1 calc R U
H10J H 0.129995 1.003525 0.640330 0.087 Uiso 1 1 calc R U
C200 C 0.4264(5) 0.5006(5) 0.4019(4) 0.089(2) Uani 1 1 d . .
H20A H 0.478190 0.552007 0.382844 0.107 Uiso 1 1 calc R U
H20B H 0.450437 0.454135 0.416012 0.107 Uiso 1 1 calc R U
H20C H 0.364825 0.462030 0.357554 0.107 Uiso 1 1 calc R U
C201 C 0.3309(4) 0.4789(4) 0.5038(4) 0.0551(16) Uani 1 1 d . .
H20D H 0.349688 0.426162 0.512634 0.066 Uiso 1 1 calc R U
H20E H 0.265460 0.444780 0.462926 0.066 Uiso 1 1 calc R U
C202 C 0.3222(4) 0.5344(4) 0.5838(4) 0.0557(16) Uani 1 1 d . .
H20F H 0.276059 0.485062 0.609058 0.067 Uiso 1 1 calc R U
H20G H 0.389081 0.573074 0.622912 0.067 Uiso 1 1 calc R U
C203 C 0.2707(4) 0.6528(4) 0.6436(4) 0.0649(18) Uani 1 1 d . .
H20H H 0.244972 0.698914 0.631676 0.078 Uiso 1 1 calc R U
H20I H 0.222285 0.602383 0.665775 0.078 Uiso 1 1 calc R U
H20J H 0.335172 0.691945 0.684615 0.078 Uiso 1 1 calc R U
O1 O 0.3430(2) 0.8997(2) 0.44119(18) 0.0308(8) Uani 1 1 d . .
O2 O 0.4752(2) 1.1411(2) 0.38004(18) 0.0294(7) Uani 1 1 d . .
O3 O 0.5602(2) 0.8258(2) 0.40064(17) 0.0271(7) Uani 1 1 d . .
O4 O 0.5019(2) 0.86529(19) 0.26379(17) 0.0259(7) Uani 1 1 d . .
O5 O 0.4830(2) 1.0228(2) 0.24442(18) 0.0302(8) Uani 1 1 d . .
O6 O 0.3994(2) 0.6808(2) 0.28220(18) 0.0267(7) Uani 1 1 d . .
O7 O 0.4019(2) 0.8532(2) 0.11930(17) 0.0266(7) Uani 1 1 d . .
O8 O 0.3091(2) 1.0237(2) 0.25761(18) 0.0292(7) Uani 1 1 d . .
O9 O 0.2767(2) 0.7009(2) 0.16979(18) 0.0313(8) Uani 1 1 d . .
O10 O 0.2555(2) 0.7180(2) 0.32722(18) 0.0318(8) Uani 1 1 d . .
O11 O 0.2273(2) 0.8407(2) 0.14449(18) 0.0324(8) Uani 1 1 d . .
O12 O 0.2075(2) 0.8593(2) 0.30147(19) 0.0327(8) Uani 1 1 d . .
O13 O 0.1896(3) 1.1629(3) 0.4292(3) 0.0641(12) Uani 1 1 d . .
O14 O 0.1440(3) 1.0296(3) 0.5314(2) 0.0550(10) Uani 1 1 d . .
O15 O 0.4055(3) 0.5495(3) 0.4733(2) 0.0563(11) Uani 1 1 d . .
O16 O 0.2849(3) 0.6022(3) 0.5693(2) 0.0477(9) Uani 1 1 d . .
SI1 Si 0.28469(9) 0.66028(8) 0.25068(8) 0.0230(3) Uani 1 1 d . .
SI2 Si 0.28338(9) 0.77507(9) 0.11196(8) 0.0233(3) Uani 1 1 d . .
SI3 Si 0.49740(9) 0.92757(9) 0.19727(8) 0.0232(3) Uani 1 1 d . .
SI4 Si 0.51493(9) 0.77862(9) 0.30388(8) 0.0237(3) Uani 1 1 d . .
SI5 Si 0.24371(9) 0.81734(9) 0.37549(8) 0.0225(3) Uani 1 1 d . .
SI6 Si 0.21497(9) 0.91045(9) 0.22633(8) 0.0230(3) Uani 1 1 d . .
SI7 Si 0.43366(9) 1.09654(9) 0.28305(8) 0.0236(3) Uani 1 1 d . .
K1 K 0.53345(7) 1.00149(7) 0.41131(6) 0.0283(2) Uani 1 1 d . .
K2 K 0.31787(8) 1.07651(7) 0.45142(6) 0.0325(3) Uani 1 1 d . .
K3 K 0.40675(8) 0.73496(7) 0.47589(6) 0.0324(3) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C16 C11 C12 110.3(4) . .
C16 C11 SI1 113.2(3) . .
C12 C11 SI1 114.9(3) . .
C13 C12 C11 112.5(5) . .
C12 C13 C14 110.8(4) . .
C15 C14 C13 111.0(5) . .
C14 C15 C16 111.5(5) . .
C15 C16 C11 111.4(4) . .
C22 C21 C26 110.0(3) . .
C22 C21 SI2 114.1(3) . .
C26 C21 SI2 110.9(3) . .
C23 C22 C21 112.9(4) . .
C24 C23 C22 110.7(4) . .
C25 C24 C23 111.5(4) . .
C24 C25 C26 111.0(4) . .
C25 C26 C21 112.3(4) . .
C36 C31 C32 109.3(4) . .
C36 C31 SI3 116.0(3) . .
C32 C31 SI3 111.1(3) . .
C33 C32 C31 112.3(4) . .
C34 C33 C32 110.7(5) . .
C33 C34 C35 110.9(4) . .
C34 C35 C36 111.8(4) . .
C31 C36 C35 111.5(4) . .
C42 C41 C46 108.7(3) . .
C42 C41 SI4 114.3(3) . .
C46 C41 SI4 112.5(3) . .
C43 C42 C41 111.9(4) . .
C44 C43 C42 110.9(5) . .
C43 C44 C45 112.0(4) . .
C44 C45 C46 111.1(4) . .
C45 C46 C41 112.1(4) . .
C56 C51 C52 110.6(4) . .
C56 C51 SI5 113.2(3) . .
C52 C51 SI5 112.6(3) . .
C51 C52 C53 112.1(4) . .
C54 C53 C52 110.5(5) . .
C55 C54 C53 112.5(5) . .
C54 C55 C56 110.5(4) . .
C51 C56 C55 112.1(4) . .
C62 C61 C66 109.4(4) . .
C62 C61 SI6 112.6(3) . .
C66 C61 SI6 114.7(3) . .
C61 C62 C63 112.2(4) . .
C64 C63 C62 111.8(4) . .
C63 C64 C65 110.7(5) . .
C66 C65 C64 111.3(4) . .
C65 C66 C61 112.5(4) . .
C72 C71 C76 110.2(4) . .
C72 C71 SI7 110.3(3) . .
C76 C71 SI7 113.6(3) . .
C73 C72 C71 112.9(4) . .
C74 C73 C72 111.4(4) . .
C73 C74 C75 110.5(4) . .
C74 C75 C76 111.2(4) . .
C71 C76 C75 112.0(4) . .
O13 C101 C102 110.9(6) . .
O14 C102 C101 111.1(6) . .
O15 C201 C202 108.8(4) . .
O16 C202 C201 109.7(4) . .
SI5 O1 K1 157.16(16) . 2_676
SI5 O1 K1 127.10(15) . .
K1 O1 K1 74.24(8) 2_676 .
SI5 O1 K2 100.30(14) . .
K1 O1 K2 86.49(8) 2_676 .
K1 O1 K2 89.74(8) . .
SI5 O1 K3 93.13(12) . .
K1 O1 K3 78.85(8) 2_676 .
K1 O1 K3 86.81(8) . .
K2 O1 K3 165.33(11) . .
SI7 O2 K3 159.58(16) . 2_676
SI7 O2 K2 107.86(15) . .
K3 O2 K2 90.33(9) 2_676 .
SI7 O2 K1 99.95(13) . .
K3 O2 K1 87.59(9) 2_676 .
K2 O2 K1 94.06(9) . .
SI4 O3 K2 164.30(16) . 2_676
SI4 O3 K3 106.53(14) . .
K2 O3 K3 88.85(9) 2_676 .
SI4 O3 K1 95.05(13) . .
K2 O3 K1 86.66(8) 2_676 .
K3 O3 K1 94.65(8) . .
SI3 O4 SI4 159.74(18) . .
SI3 O4 K1 102.17(12) . .
SI4 O4 K1 96.90(13) . .
SI3 O5 SI7 163.6(2) . .
SI3 O5 K1 93.75(13) . .
SI7 O5 K1 89.97(12) . .
SI1 O6 SI4 136.78(17) . .
SI1 O6 K3 96.78(12) . .
SI4 O6 K3 87.82(12) . .
SI3 O7 SI2 133.64(18) . .
SI6 O8 SI7 147.90(18) . .
SI6 O8 K2 100.31(12) . .
SI7 O8 K2 86.71(12) . .
SI2 O9 SI1 161.8(2) . .
SI1 O10 SI5 150.20(19) . .
SI1 O10 K3 100.48(14) . .
SI5 O10 K3 94.85(13) . .
SI2 O11 SI6 145.1(2) . .
SI6 O12 SI5 158.3(2) . .
SI6 O12 K2 95.55(13) . .
SI5 O12 K2 82.20(12) . .
C101 O13 C100 111.8(5) . .
C101 O13 K2 119.6(3) . .
C100 O13 K2 123.8(3) . .
C102 O14 C103 113.5(5) . .
C102 O14 K2 103.2(3) . .
C103 O14 K2 102.5(3) . .
C201 O15 C200 112.1(5) . .
C201 O15 K3 119.0(3) . .
C200 O15 K3 116.9(3) . .
C203 O16 C202 111.4(4) . .
C203 O16 K3 115.8(3) . .
C202 O16 K3 110.7(3) . .
O10 SI1 O9 111.78(16) . .
O10 SI1 O6 107.86(17) . .
O9 SI1 O6 109.80(15) . .
O10 SI1 C11 109.03(17) . .
O9 SI1 C11 106.77(19) . .
O6 SI1 C11 111.64(17) . .
O10 SI1 K3 54.29(12) . .
O9 SI1 K3 145.11(12) . .
O6 SI1 K3 57.62(11) . .
C11 SI1 K3 108.09(15) . .
O9 SI2 O11 108.81(16) . .
O9 SI2 O7 109.41(16) . .
O11 SI2 O7 109.05(15) . .
O9 SI2 C21 109.38(18) . .
O11 SI2 C21 112.09(18) . .
O7 SI2 C21 108.07(17) . .
O5 SI3 O7 109.89(16) . .
O5 SI3 O4 107.27(15) . .
O7 SI3 O4 109.17(15) . .
O5 SI3 C31 109.32(18) . .
O7 SI3 C31 111.64(18) . .
O4 SI3 C31 109.44(18) . .
O3 SI4 O6 111.65(15) . .
O3 SI4 O4 109.56(15) . .
O6 SI4 O4 105.56(15) . .
O3 SI4 C41 117.70(18) . .
O6 SI4 C41 104.98(17) . .
O4 SI4 C41 106.59(16) . .
O3 SI4 K3 48.13(10) . .
O6 SI4 K3 64.03(10) . .
O4 SI4 K3 116.04(10) . .
C41 SI4 K3 137.37(13) . .
O1 SI5 O10 111.87(16) . .
O1 SI5 O12 114.24(16) . .
O10 SI5 O12 106.01(16) . .
O1 SI5 C51 114.57(18) . .
O10 SI5 C51 105.42(17) . .
O12 SI5 C51 103.87(18) . .
O1 SI5 K2 53.34(11) . .
O10 SI5 K2 154.82(11) . .
O12 SI5 K2 69.73(11) . .
C51 SI5 K2 99.63(14) . .
O1 SI5 K3 61.15(11) . .
O10 SI5 K3 58.13(12) . .
O12 SI5 K3 152.75(11) . .
C51 SI5 K3 101.93(15) . .
K2 SI5 K3 114.26(4) . .
O10 SI5 K1 92.15(11) . .
O12 SI5 K1 95.40(11) . .
C51 SI5 K1 148.87(15) . .
K2 SI5 K1 64.31(3) . .
K3 SI5 K1 65.63(3) . .
O12 SI6 O8 108.63(17) . .
O12 SI6 O11 110.59(16) . .
O8 SI6 O11 111.15(15) . .
O12 SI6 C61 109.18(17) . .
O8 SI6 C61 110.35(17) . .
O11 SI6 C61 106.93(18) . .
O12 SI6 K2 59.59(11) . .
O8 SI6 K2 55.08(11) . .
O11 SI6 K2 149.87(12) . .
C61 SI6 K2 103.15(14) . .
O2 SI7 O5 109.94(16) . .
O2 SI7 O8 111.72(16) . .
O5 SI7 O8 106.58(15) . .
O2 SI7 C71 116.68(18) . .
O5 SI7 C71 108.18(17) . .
O8 SI7 C71 103.11(18) . .
O1 K1 O4 142.76(9) 2_676 .
O1 K1 O2 101.93(9) 2_676 .
O4 K1 O2 108.74(9) . .
O1 K1 O1 105.76(8) 2_676 .
O4 K1 O1 97.09(9) . .
O2 K1 O1 86.04(9) . .
O1 K1 O3 93.43(9) 2_676 .
O4 K1 O3 56.91(8) . .
O2 K1 O3 164.63(9) . .
O1 K1 O3 90.26(8) . .
O1 K1 O5 142.95(9) 2_676 .
O4 K1 O5 54.44(8) . .
O2 K1 O5 55.27(8) . .
O1 K1 O5 101.50(9) . .
O3 K1 O5 111.20(8) . .
O1 K1 K1 55.00(6) 2_676 2_676
O4 K1 K1 138.21(7) . 2_676
O2 K1 K1 96.18(7) . 2_676
O1 K1 K1 50.75(7) . 2_676
O3 K1 K1 92.98(7) . 2_676
O5 K1 K1 144.28(7) . 2_676
O1 K1 K2 49.12(6) 2_676 2_676
O4 K1 K2 98.39(7) . 2_676
O2 K1 K2 151.05(7) . 2_676
O1 K1 K2 100.77(7) . 2_676
O3 K1 K2 44.32(6) . 2_676
O5 K1 K2 146.67(6) . 2_676
K1 K1 K2 68.44(4) 2_676 2_676
O1 K1 SI5 124.07(7) 2_676 .
O4 K1 SI5 79.67(6) . .
O2 K1 SI5 85.58(7) . .
O1 K1 SI5 18.59(6) . .
O3 K1 SI5 86.19(6) . .
O5 K1 SI5 86.08(6) . .
K1 K1 SI5 69.14(4) 2_676 .
K2 K1 SI5 109.64(3) 2_676 .
O3 K2 O2 90.23(9) 2_676 .
O3 K2 O13 108.30(11) 2_676 .
O2 K2 O13 114.80(10) . .
O3 K2 O1 93.42(9) 2_676 .
O2 K2 O1 86.00(8) . .
O13 K2 O1 149.10(11) . .
O3 K2 O14 89.05(10) 2_676 .
O2 K2 O14 172.87(10) . .
O13 K2 O14 58.84(11) . .
O1 K2 O14 101.12(9) . .
O3 K2 O8 143.92(8) 2_676 .
O2 K2 O8 53.70(8) . .
O13 K2 O8 90.34(10) . .
O1 K2 O8 84.09(8) . .
O14 K2 O8 126.82(10) . .
O3 K2 O12 145.09(8) 2_676 .
O2 K2 O12 89.49(8) . .
O13 K2 O12 103.41(11) . .
O1 K2 O12 51.74(8) . .
O14 K2 O12 95.16(9) . .
O8 K2 O12 47.62(7) . .
O3 K2 SI5 117.57(7) 2_676 .
O2 K2 SI5 96.16(6) . .
O13 K2 SI5 123.88(10) . .
O1 K2 SI5 26.36(6) . .
O14 K2 SI5 90.46(8) . .
O8 K2 SI5 71.22(5) . .
O12 K2 SI5 28.07(5) . .
O3 K2 K1 49.03(6) 2_676 2_676
O2 K2 K1 86.75(7) . 2_676
O13 K2 K1 150.62(9) . 2_676
O1 K2 K1 44.40(6) . 2_676
O14 K2 K1 98.10(8) . 2_676
O8 K2 K1 118.98(6) . 2_676
O12 K2 K1 96.12(6) . 2_676
SI5 K2 K1 69.38(3) . 2_676
O3 K2 K3 46.85(6) 2_676 2_676
O2 K2 K3 44.16(7) . 2_676
O13 K2 K3 114.71(9) . 2_676
O1 K2 K3 96.16(7) . 2_676
O14 K2 K3 133.53(8) . 2_676
O8 K2 K3 97.49(6) . 2_676
O12 K2 K3 128.59(6) . 2_676
SI5 K2 K3 119.88(4) . 2_676
K1 K2 K3 66.23(3) 2_676 2_676
O3 K2 SI6 159.76(7) 2_676 .
O2 K2 SI6 75.26(7) . .
O13 K2 SI6 90.80(9) . .
O1 K2 SI6 71.89(6) . .
O14 K2 SI6 107.08(8) . .
O8 K2 SI6 24.61(5) . .
O12 K2 SI6 24.87(5) . .
SI5 K2 SI6 51.93(3) . .
K1 K2 SI6 114.89(3) 2_676 .
K3 K2 SI6 119.28(3) 2_676 .
O2 K3 O3 89.03(9) 2_676 .
O2 K3 O15 104.22(11) 2_676 .
O3 K3 O15 103.27(9) . .
O2 K3 O16 87.10(9) 2_676 .
O3 K3 O16 159.83(10) . .
O15 K3 O16 58.77(10) . .
O2 K3 O10 142.03(9) 2_676 .
O3 K3 O10 89.15(8) . .
O15 K3 O10 113.09(10) . .
O16 K3 O10 105.92(9) . .
O2 K3 O1 91.63(8) 2_676 .
O3 K3 O1 84.26(8) . .
O15 K3 O1 162.43(11) . .
O16 K3 O1 115.63(9) . .
O10 K3 O1 50.47(7) . .
O2 K3 O6 142.34(8) 2_676 .
O3 K3 O6 53.32(8) . .
O15 K3 O6 87.47(9) . .
O16 K3 O6 128.21(9) . .
O10 K3 O6 49.50(7) . .
O1 K3 O6 84.42(7) . .
O2 K3 SI4 114.22(7) 2_676 .
O3 K3 SI4 25.35(6) . .
O15 K3 SI4 98.53(8) . .
O16 K3 SI4 153.16(8) . .
O10 K3 SI4 67.81(6) . .
O1 K3 SI4 81.41(6) . .
O6 K3 SI4 28.15(5) . .
O2 K3 SI5 115.50(7) 2_676 .
O3 K3 SI5 94.15(7) . .
O15 K3 SI5 136.74(9) . .
O16 K3 SI5 105.39(8) . .
O10 K3 SI5 27.02(5) . .
O1 K3 SI5 25.71(5) . .
O6 K3 SI5 71.75(6) . .
SI4 K3 SI5 80.84(3) . .
O2 K3 SI1 156.41(7) 2_676 .
O3 K3 SI1 74.52(7) . .
O15 K3 SI1 96.07(9) . .
O16 K3 SI1 114.06(8) . .
O10 K3 SI1 25.23(5) . .
O1 K3 SI1 70.35(6) . .
O6 K3 SI1 25.60(5) . .
SI4 K3 SI1 49.73(3) . .
SI5 K3 SI1 50.85(3) . .
O2 K3 K2 45.50(6) 2_676 2_676
O3 K3 K2 44.30(6) . 2_676
O15 K3 K2 102.87(9) . 2_676
O16 K3 K2 125.96(8) . 2_676
O10 K3 K2 127.10(6) . 2_676
O1 K3 K2 93.62(6) . 2_676
O6 K3 K2 97.26(6) . 2_676
SI4 K3 K2 69.62(3) . 2_676
SI5 K3 K2 116.80(3) . 2_676
SI1 K3 K2 118.42(3) . 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C11 C16 1.534(6) .
C11 C12 1.536(6) .
C11 SI1 1.861(4) .
C12 C13 1.519(6) .
C13 C14 1.533(8) .
C14 C15 1.506(8) .
C15 C16 1.534(6) .
C21 C22 1.536(6) .
C21 C26 1.538(6) .
C21 SI2 1.856(4) .
C22 C23 1.535(6) .
C23 C24 1.515(6) .
C24 C25 1.511(7) .
C25 C26 1.535(6) .
C31 C36 1.529(6) .
C31 C32 1.541(6) .
C31 SI3 1.862(4) .
C32 C33 1.538(6) .
C33 C34 1.519(7) .
C34 C35 1.520(7) .
C35 C36 1.531(6) .
C41 C42 1.534(6) .
C41 C46 1.549(6) .
C41 SI4 1.879(4) .
C42 C43 1.531(6) .
C43 C44 1.520(7) .
C44 C45 1.523(7) .
C45 C46 1.537(6) .
C51 C56 1.524(6) .
C51 C52 1.542(6) .
C51 SI5 1.877(4) .
C52 C53 1.545(6) .
C53 C54 1.514(7) .
C54 C55 1.513(7) .
C55 C56 1.550(6) .
C61 C62 1.532(6) .
C61 C66 1.543(6) .
C61 SI6 1.869(4) .
C62 C63 1.533(7) .
C63 C64 1.523(7) .
C64 C65 1.526(7) .
C65 C66 1.521(6) .
C71 C72 1.533(5) .
C71 C76 1.535(6) .
C71 SI7 1.882(4) .
C72 C73 1.523(6) .
C73 C74 1.515(7) .
C74 C75 1.524(6) .
C75 C76 1.539(6) .
C100 O13 1.407(7) .
C101 O13 1.372(6) .
C101 C102 1.479(9) .
C102 O14 1.393(7) .
C103 O14 1.421(6) .
C200 O15 1.421(6) .
C201 O15 1.417(6) .
C201 C202 1.488(7) .
C202 O16 1.420(6) .
C203 O16 1.418(6) .
O1 SI5 1.574(3) .
O1 K1 2.632(3) 2_676
O1 K1 2.784(3) .
O1 K2 2.844(3) .
O1 K3 3.178(3) .
O2 SI7 1.574(3) .
O2 K3 2.621(3) 2_676
O2 K2 2.683(3) .
O2 K1 2.744(3) .
O3 SI4 1.578(3) .
O3 K2 2.628(3) 2_676
O3 K3 2.745(3) .
O3 K1 2.840(3) .
O4 SI3 1.626(3) .
O4 SI4 1.672(3) .
O4 K1 2.730(3) .
O5 SI3 1.614(3) .
O5 SI7 1.663(3) .
O5 K1 2.956(3) .
O6 SI1 1.627(3) .
O6 SI4 1.669(3) .
O6 K3 3.180(3) .
O7 SI3 1.625(3) .
O7 SI2 1.640(3) .
O8 SI6 1.614(3) .
O8 SI7 1.668(3) .
O8 K2 3.177(3) .
O9 SI2 1.617(3) .
O9 SI1 1.624(3) .
O10 SI1 1.621(3) .
O10 SI5 1.652(3) .
O10 K3 3.088(3) .
O11 SI2 1.620(3) .
O11 SI6 1.639(3) .
O12 SI6 1.611(3) .
O12 SI5 1.657(3) .
O12 K2 3.303(3) .
O13 K2 2.804(4) .
O14 K2 2.972(4) .
O15 K3 2.801(3) .
O16 K3 2.954(3) .
SI1 K3 3.7393(17) .
SI4 K3 3.5346(15) .
SI5 K2 3.4886(15) .
SI5 K3 3.6229(16) .
SI5 K1 3.9395(15) .
SI6 K2 3.8122(16) .
K1 O1 2.632(3) 2_676
K1 K1 3.2712(18) 2_676
K1 K2 3.7552(14) 2_676
K2 O3 2.628(3) 2_676
K2 K1 3.7553(14) 2_676
K2 K3 3.7621(15) 2_676
K3 O2 2.621(3) 2_676
K3 K2 3.7621(15) 2_676
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
C16 C11 C12 C13 -54.1(5) .
SI1 C11 C12 C13 176.5(4) .
C11 C12 C13 C14 55.3(6) .
C12 C13 C14 C15 -56.2(7) .
C13 C14 C15 C16 56.8(7) .
C14 C15 C16 C11 -56.2(6) .
C12 C11 C16 C15 53.8(6) .
SI1 C11 C16 C15 -175.9(4) .
C26 C21 C22 C23 -52.8(6) .
SI2 C21 C22 C23 -178.1(3) .
C21 C22 C23 C24 54.8(6) .
C22 C23 C24 C25 -56.4(6) .
C23 C24 C25 C26 57.0(6) .
C24 C25 C26 C21 -55.6(6) .
C22 C21 C26 C25 52.9(6) .
SI2 C21 C26 C25 -179.9(3) .
C36 C31 C32 C33 -55.6(5) .
SI3 C31 C32 C33 175.2(3) .
C31 C32 C33 C34 55.9(6) .
C32 C33 C34 C35 -55.1(6) .
C33 C34 C35 C36 56.1(6) .
C32 C31 C36 C35 55.4(5) .
SI3 C31 C36 C35 -178.0(3) .
C34 C35 C36 C31 -56.9(5) .
C46 C41 C42 C43 57.0(5) .
SI4 C41 C42 C43 -176.4(4) .
C41 C42 C43 C44 -57.3(6) .
C42 C43 C44 C45 55.0(6) .
C43 C44 C45 C46 -54.0(6) .
C44 C45 C46 C41 55.0(5) .
C42 C41 C46 C45 -56.0(5) .
SI4 C41 C46 C45 176.4(3) .
C56 C51 C52 C53 53.8(5) .
SI5 C51 C52 C53 -178.3(4) .
C51 C52 C53 C54 -54.7(6) .
C52 C53 C54 C55 56.2(6) .
C53 C54 C55 C56 -56.2(6) .
C52 C51 C56 C55 -53.9(5) .
SI5 C51 C56 C55 178.6(3) .
C54 C55 C56 C51 55.1(6) .
C66 C61 C62 C63 -54.0(5) .
SI6 C61 C62 C63 177.3(4) .
C61 C62 C63 C64 55.4(6) .
C62 C63 C64 C65 -55.0(6) .
C63 C64 C65 C66 55.3(6) .
C64 C65 C66 C61 -56.2(6) .
C62 C61 C66 C65 54.8(5) .
SI6 C61 C66 C65 -177.6(3) .
C76 C71 C72 C73 -53.0(5) .
SI7 C71 C72 C73 -179.3(4) .
C71 C72 C73 C74 55.5(6) .
C72 C73 C74 C75 -56.5(6) .
C73 C74 C75 C76 56.6(6) .
C72 C71 C76 C75 52.7(5) .
SI7 C71 C76 C75 177.1(3) .
C74 C75 C76 C71 -55.5(6) .
O13 C101 C102 O14 -65.8(9) .
O15 C201 C202 O16 65.8(6) .
C102 C101 O13 C100 -176.3(6) .
C102 C101 O13 K2 27.3(8) .
C101 C102 O14 C103 174.1(6) .
C101 C102 O14 K2 63.9(7) .
C202 C201 O15 C200 173.3(5) .
C202 C201 O15 K3 -45.0(5) .
C201 C202 O16 C203 177.0(4) .
C201 C202 O16 K3 -52.7(5) .
SI5 O10 SI1 O9 -23.4(5) .
K3 O10 SI1 O9 -143.18(13) .
SI5 O10 SI1 O6 97.4(4) .
K3 O10 SI1 O6 -22.39(15) .
SI5 O10 SI1 C11 -141.2(4) .
K3 O10 SI1 C11 99.01(18) .
SI5 O10 SI1 K3 119.7(5) .
SI2 O9 SI1 O10 38.6(7) .
SI2 O9 SI1 O6 -81.1(7) .
SI2 O9 SI1 C11 157.7(7) .
SI2 O9 SI1 K3 -19.7(8) .
SI4 O6 SI1 O10 -72.6(3) .
K3 O6 SI1 O10 21.48(14) .
SI4 O6 SI1 O9 49.5(3) .
K3 O6 SI1 O9 143.51(12) .
SI4 O6 SI1 C11 167.7(3) .
K3 O6 SI1 C11 -98.28(17) .
SI4 O6 SI1 K3 -94.0(3) .
C16 C11 SI1 O10 -171.7(3) .
C12 C11 SI1 O10 -43.8(4) .
C16 C11 SI1 O9 67.4(4) .
C12 C11 SI1 O9 -164.7(3) .
C16 C11 SI1 O6 -52.6(4) .
C12 C11 SI1 O6 75.3(3) .
C16 C11 SI1 K3 -114.2(3) .
C12 C11 SI1 K3 13.8(4) .
SI1 O9 SI2 O11 -52.5(7) .
SI1 O9 SI2 O7 66.5(7) .
SI1 O9 SI2 C21 -175.3(6) .
SI6 O11 SI2 O9 47.2(4) .
SI6 O11 SI2 O7 -72.1(4) .
SI6 O11 SI2 C21 168.3(3) .
SI3 O7 SI2 O9 -49.9(3) .
SI3 O7 SI2 O11 69.0(3) .
SI3 O7 SI2 C21 -168.9(2) .
C22 C21 SI2 O9 45.2(4) .
C26 C21 SI2 O9 -79.6(3) .
C22 C21 SI2 O11 -75.5(3) .
C26 C21 SI2 O11 159.6(3) .
C22 C21 SI2 O7 164.3(3) .
C26 C21 SI2 O7 39.4(3) .
SI7 O5 SI3 O7 29.4(8) .
K1 O5 SI3 O7 132.17(12) .
SI7 O5 SI3 O4 -89.2(8) .
K1 O5 SI3 O4 13.60(15) .
SI7 O5 SI3 C31 152.2(7) .
K1 O5 SI3 C31 -104.97(17) .
SI2 O7 SI3 O5 -70.7(3) .
SI2 O7 SI3 O4 46.7(3) .
SI2 O7 SI3 C31 167.9(2) .
SI4 O4 SI3 O5 -175.0(5) .
K1 O4 SI3 O5 -15.07(17) .
SI4 O4 SI3 O7 66.0(6) .
K1 O4 SI3 O7 -134.10(13) .
SI4 O4 SI3 C31 -56.5(6) .
K1 O4 SI3 C31 103.44(17) .
C36 C31 SI3 O5 -73.7(4) .
C32 C31 SI3 O5 51.9(4) .
C36 C31 SI3 O7 48.1(4) .
C32 C31 SI3 O7 173.7(3) .
C36 C31 SI3 O4 169.1(3) .
C32 C31 SI3 O4 -65.4(3) .
K2 O3 SI4 O6 159.3(5) 2_676
K3 O3 SI4 O6 -8.69(17) .
K1 O3 SI4 O6 -105.07(13) .
K2 O3 SI4 O4 -84.1(6) 2_676
K3 O3 SI4 O4 107.88(14) .
K1 O3 SI4 O4 11.50(15) .
K2 O3 SI4 C41 37.8(6) 2_676
K3 O3 SI4 C41 -130.19(17) .
K1 O3 SI4 C41 133.43(16) .
K2 O3 SI4 K3 168.0(7) 2_676
K1 O3 SI4 K3 -96.38(12) .
SI1 O6 SI4 O3 104.8(3) .
K3 O6 SI4 O3 7.19(15) .
SI1 O6 SI4 O4 -14.2(3) .
K3 O6 SI4 O4 -111.79(12) .
SI1 O6 SI4 C41 -126.6(3) .
K3 O6 SI4 C41 135.79(15) .
SI1 O6 SI4 K3 97.6(3) .
SI3 O4 SI4 O3 148.2(6) .
K1 O4 SI4 O3 -12.01(16) .
SI3 O4 SI4 O6 -91.4(6) .
K1 O4 SI4 O6 108.34(13) .
SI3 O4 SI4 C41 19.9(6) .
K1 O4 SI4 C41 -140.38(16) .
SI3 O4 SI4 K3 -159.7(5) .
K1 O4 SI4 K3 40.05(12) .
C42 C41 SI4 O3 52.6(4) .
C46 C41 SI4 O3 177.3(3) .
C42 C41 SI4 O6 -72.2(4) .
C46 C41 SI4 O6 52.4(3) .
C42 C41 SI4 O4 176.1(3) .
C46 C41 SI4 O4 -59.3(3) .
C42 C41 SI4 K3 -4.5(5) .
C46 C41 SI4 K3 120.1(3) .
K1 O1 SI5 O10 -97.8(4) 2_676
K1 O1 SI5 O10 58.9(2) .
K2 O1 SI5 O10 156.47(12) .
K3 O1 SI5 O10 -29.47(15) .
K1 O1 SI5 O12 141.8(4) 2_676
K1 O1 SI5 O12 -61.5(2) .
K2 O1 SI5 O12 36.03(17) .
K3 O1 SI5 O12 -149.90(12) .
K1 O1 SI5 C51 22.1(5) 2_676
K1 O1 SI5 C51 178.81(18) .
K2 O1 SI5 C51 -83.63(19) .
K3 O1 SI5 C51 90.44(18) .
K1 O1 SI5 K2 105.7(4) 2_676
K1 O1 SI5 K2 -97.57(18) .
K3 O1 SI5 K2 174.07(13) .
K1 O1 SI5 K3 -68.3(4) 2_676
K1 O1 SI5 K3 88.37(16) .
K2 O1 SI5 K3 -174.07(13) .
K1 O1 SI5 K1 -156.7(6) 2_676
K2 O1 SI5 K1 97.57(18) .
K3 O1 SI5 K1 -88.37(16) .
SI1 O10 SI5 O1 -90.6(4) .
K3 O10 SI5 O1 30.49(16) .
SI1 O10 SI5 O12 34.6(5) .
K3 O10 SI5 O12 155.61(12) .
SI1 O10 SI5 C51 144.3(4) .
K3 O10 SI5 C51 -94.65(17) .
SI1 O10 SI5 K2 -41.7(6) .
K3 O10 SI5 K2 79.3(3) .
SI1 O10 SI5 K3 -121.0(5) .
SI1 O10 SI5 K1 -61.7(4) .
K3 O10 SI5 K1 59.37(7) .
SI6 O12 SI5 O1 55.2(6) .
K2 O12 SI5 O1 -30.20(14) .
SI6 O12 SI5 O10 -68.5(6) .
K2 O12 SI5 O10 -153.85(12) .
SI6 O12 SI5 C51 -179.3(6) .
K2 O12 SI5 C51 95.30(15) .
SI6 O12 SI5 K2 85.4(6) .
SI6 O12 SI5 K3 -18.5(8) .
K2 O12 SI5 K3 -103.9(2) .
SI6 O12 SI5 K1 25.3(6) .
K2 O12 SI5 K1 -60.06(5) .
C56 C51 SI5 O1 -48.9(4) .
C52 C51 SI5 O1 -175.4(3) .
C56 C51 SI5 O10 74.5(4) .
C52 C51 SI5 O10 -51.9(4) .
C56 C51 SI5 O12 -174.2(3) .
C52 C51 SI5 O12 59.3(4) .
C56 C51 SI5 K2 -102.9(3) .
C52 C51 SI5 K2 130.7(3) .
C56 C51 SI5 K3 14.6(3) .
C52 C51 SI5 K3 -111.8(3) .
C56 C51 SI5 K1 -47.6(5) .
C52 C51 SI5 K1 -174.1(2) .
SI5 O12 SI6 O8 -56.8(6) .
K2 O12 SI6 O8 26.07(14) .
SI5 O12 SI6 O11 65.5(6) .
K2 O12 SI6 O11 148.30(13) .
SI5 O12 SI6 C61 -177.1(5) .
K2 O12 SI6 C61 -94.31(16) .
SI5 O12 SI6 K2 -82.8(6) .
SI7 O8 SI6 O12 72.9(4) .
K2 O8 SI6 O12 -27.53(15) .
SI7 O8 SI6 O11 -49.0(4) .
K2 O8 SI6 O11 -149.42(13) .
SI7 O8 SI6 C61 -167.5(4) .
K2 O8 SI6 C61 92.12(17) .
SI7 O8 SI6 K2 100.4(4) .
SI2 O11 SI6 O12 -43.3(4) .
SI2 O11 SI6 O8 77.5(4) .
SI2 O11 SI6 C61 -162.1(3) .
SI2 O11 SI6 K2 21.2(5) .
C62 C61 SI6 O12 -67.9(4) .
C66 C61 SI6 O12 166.1(3) .
C62 C61 SI6 O8 172.8(3) .
C66 C61 SI6 O8 46.8(4) .
C62 C61 SI6 O11 51.7(4) .
C66 C61 SI6 O11 -74.2(3) .
C62 C61 SI6 K2 -130.0(3) .
C66 C61 SI6 K2 104.1(3) .
K3 O2 SI7 O5 88.6(5) 2_676
K2 O2 SI7 O5 -119.35(14) .
K1 O2 SI7 O5 -21.76(16) .
K3 O2 SI7 O8 -153.2(4) 2_676
K2 O2 SI7 O8 -1.24(18) .
K1 O2 SI7 O8 96.35(14) .
K3 O2 SI7 C71 -35.0(5) 2_676
K2 O2 SI7 C71 117.02(17) .
K1 O2 SI7 C71 -145.39(16) .
SI3 O5 SI7 O2 123.1(7) .
K1 O5 SI7 O2 19.82(15) .
SI3 O5 SI7 O8 1.9(8) .
K1 O5 SI7 O8 -101.43(13) .
SI3 O5 SI7 C71 -108.4(7) .
K1 O5 SI7 C71 148.27(16) .
SI6 O8 SI7 O2 -103.2(4) .
K2 O8 SI7 O2 1.00(14) .
SI6 O8 SI7 O5 16.9(4) .
K2 O8 SI7 O5 121.10(13) .
SI6 O8 SI7 C71 130.7(4) .
K2 O8 SI7 C71 -125.09(14) .
C72 C71 SI7 O2 -55.3(4) .
C76 C71 SI7 O2 -179.6(3) .
C72 C71 SI7 O5 -179.8(3) .
C76 C71 SI7 O5 55.8(3) .
C72 C71 SI7 O8 67.5(3) .
C76 C71 SI7 O8 -56.8(3) .
