#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:47:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178916 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/45/4114565.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_4114565
loop_
_publ_author_name
'Yuxia Liu'
'Thomas C. Stringfellow'
'David Ballweg'
'Ilia A. Guzei'
'Robert West'
_publ_contact_author
; 
   Prof. Robert West 
   Department of Chemistry 
   University of Wisconsin 
   1101 University Ave. 
   Madison, WI  53706-1396  USA 
;
_publ_contact_author_email       west@chem.wisc.edu
_publ_contact_author_fax         1(608)2620381
_publ_contact_author_phone       1(608)2621873
_publ_section_title
;
 Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and
 an Organosilicon Diradical Dianion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              49
_journal_page_last               57
_journal_paper_doi               10.1021/ja011821m
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C36 H57.33 K2 O10 Si'
_chemical_formula_weight         756.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                95.020(2)
_cell_angle_beta                 98.726(2)
_cell_angle_gamma                96.053(2)
_cell_formula_units_Z            3
_cell_length_a                   10.5459(9)
_cell_length_b                   15.9281(12)
_cell_length_c                   17.8197(15)
_cell_measurement_temperature    173(2)
_cell_volume                     2925.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1062
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11090
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.327
_exptl_absorpt_correction_T_max  0.9376
_exptl_absorpt_correction_T_min  0.9027
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         11090
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1203
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0920P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.1963
_reflns_number_gt                5670
_reflns_number_total             11090
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja011821m_4.cif
_cod_data_source_block           west14p
_cod_database_code               4114565
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 1.11217(10) -0.39828(6) 0.77423(6) 0.0388(3) Uani 1 1 d . . .
K2 K 0.59462(10) 0.04783(7) 0.66081(6) 0.0468(3) Uani 1 1 d . . .
K3 K 0.93833(10) -0.05630(6) 0.89702(6) 0.0377(3) Uani 1 1 d . . .
O1 O 1.1236(4) -0.3287(2) 0.62337(19) 0.0525(9) Uani 1 1 d . . .
O2 O 1.3524(3) -0.3633(2) 0.7148(2) 0.0524(9) Uani 1 1 d . . .
O3 O 1.3346(3) -0.5057(2) 0.79863(18) 0.0458(8) Uani 1 1 d . . .
O4 O 1.0920(3) -0.55984(19) 0.83401(18) 0.0454(8) Uani 1 1 d . . .
O5 O 0.8671(3) -0.5184(2) 0.74448(19) 0.0525(9) Uani 1 1 d . . .
O6 O 0.8850(3) -0.3703(2) 0.67062(19) 0.0571(10) Uani 1 1 d . . .
O7 O 0.5135(3) -0.0889(2) 0.74606(19) 0.0492(9) Uani 1 1 d . . .
O8 O 0.7805(3) -0.0837(2) 0.73317(17) 0.0447(8) Uani 1 1 d . . .
O9 O 0.8748(3) 0.0673(2) 0.67230(18) 0.0494(9) Uani 1 1 d . . .
O10 O 0.7641(3) 0.2173(2) 0.69627(18) 0.0496(9) Uani 1 1 d . . .
O11 O 0.5016(3) 0.2053(2) 0.71654(19) 0.0481(9) Uani 1 1 d . . .
O12 O 0.3966(3) 0.05791(19) 0.77197(17) 0.0418(8) Uani 1 1 d . . .
O13 O 1.1251(3) 0.09975(17) 0.95296(16) 0.0343(7) Uani 1 1 d . . .
O14 O 0.8771(3) 0.09943(17) 0.86741(15) 0.0327(7) Uani 1 1 d . . .
O15 O 0.7216(3) -0.00815(17) 0.94457(16) 0.0355(7) Uani 1 1 d . . .
Si1 Si 1.12664(12) -0.19980(7) 0.86104(7) 0.0321(3) Uani 1 1 d D . .
C1 C 0.9852(4) -0.2652(2) 0.8866(2) 0.0299(10) Uani 1 1 d D . .
C2 C 0.8495(4) -0.2615(3) 0.8681(2) 0.0370(11) Uani 1 1 d D . .
H2 H 0.8208 -0.2221 0.8341 0.044 Uiso 1 1 calc R . .
C3 C 0.7583(4) -0.3118(3) 0.8967(3) 0.0415(12) Uani 1 1 d D . .
H3 H 0.6694 -0.3053 0.8837 0.050 Uiso 1 1 calc R . .
C4 C 0.7960(4) -0.3723(3) 0.9447(3) 0.0385(11) Uani 1 1 d D . .
H4 H 0.7321 -0.4073 0.9638 0.046 Uiso 1 1 calc R . .
C5 C 0.9247(4) -0.3820(3) 0.9650(2) 0.0361(11) Uani 1 1 d D . .
H5 H 0.9493 -0.4244 0.9967 0.043 Uiso 1 1 calc R . .
C6 C 1.0206(4) -0.3279(2) 0.9379(2) 0.0293(10) Uani 1 1 d D . .
C7 C 1.1602(4) -0.3259(2) 0.9574(2) 0.0309(10) Uani 1 1 d D . .
C8 C 1.2231(4) -0.3772(3) 1.0076(2) 0.0360(11) Uani 1 1 d D . .
H8 H 1.1737 -0.4202 1.0282 0.043 Uiso 1 1 calc R . .
C9 C 1.3560(5) -0.3656(3) 1.0273(3) 0.0481(13) Uani 1 1 d D . .
H9 H 1.3980 -0.3997 1.0621 0.058 Uiso 1 1 calc R . .
C10 C 1.4283(5) -0.3030(3) 0.9955(3) 0.0475(13) Uani 1 1 d D . .
H10 H 1.5196 -0.2944 1.0095 0.057 Uiso 1 1 calc R . .
C11 C 1.3695(4) -0.2548(3) 0.9451(3) 0.0363(11) Uani 1 1 d D . .
H11 H 1.4216 -0.2144 0.9233 0.044 Uiso 1 1 calc R . .
C12 C 1.2312(4) -0.2622(2) 0.9233(2) 0.0301(10) Uani 1 1 d D . .
Si2 Si 0.5407(3) 0.12758(16) 0.48250(15) 0.0447(7) Uani 0.50 1 d PD . -1
C13 C 0.4007(11) 0.0612(6) 0.5080(7) 0.0572(10) Uani 0.50 1 d PD . -1
C14 C 0.2733(11) 0.0844(7) 0.5180(6) 0.0572(10) Uani 0.50 1 d PD A -1
H14 H 0.2563 0.1413 0.5132 0.069 Uiso 0.50 1 calc PR A -1
C15 C 0.1781(12) 0.0270(7) 0.5338(6) 0.0572(10) Uani 0.50 1 d PD A -1
H15 H 0.0956 0.0432 0.5395 0.069 Uiso 0.50 1 calc PR A -1
C16 C 0.2048(11) -0.0570(6) 0.5417(6) 0.0572(10) Uani 0.50 1 d PD A -1
H16 H 0.1388 -0.0961 0.5543 0.069 Uiso 0.50 1 calc PR A -1
C17 C 0.3201(10) -0.0859(6) 0.5323(5) 0.0572(10) Uani 0.50 1 d PD A -1
H17 H 0.3333 -0.1433 0.5377 0.069 Uiso 0.50 1 calc PR A -1
C18 C 0.4192(11) -0.0269(7) 0.5143(9) 0.0572(10) Uani 0.50 1 d PD . -1
C19 C 0.5499(11) -0.0454(6) 0.5008(7) 0.0572(10) Uani 0.50 1 d PDU . -1
C20 C 0.5944(11) -0.1256(6) 0.4996(5) 0.0572(10) Uani 0.50 1 d PD B -1
H20 H 0.5409 -0.1738 0.5095 0.069 Uiso 0.50 1 calc PR B -1
C21 C 0.7172(11) -0.1333(7) 0.4837(6) 0.0572(10) Uani 0.50 1 d PD B -1
H21 H 0.7492 -0.1869 0.4822 0.069 Uiso 0.50 1 calc PR B -1
C22 C 0.7920(13) -0.0625(6) 0.4701(6) 0.0572(10) Uani 0.50 1 d PD B -1
H22 H 0.8774 -0.0686 0.4614 0.069 Uiso 0.50 1 calc PR B -1
C23 C 0.7518(11) 0.0182(7) 0.4682(6) 0.0572(10) Uani 0.50 1 d PD B -1
H23 H 0.8081 0.0650 0.4580 0.069 Uiso 0.50 1 calc PR B -1
C24 C 0.6205(11) 0.0290(7) 0.4822(9) 0.0572(10) Uani 0.50 1 d PD . -1
C25 C 1.2467(6) -0.2812(4) 0.6260(4) 0.0678(17) Uani 1 1 d . . .
H25A H 1.2596 -0.2335 0.6670 0.081 Uiso 1 1 calc R . .
H25B H 1.2507 -0.2572 0.5769 0.081 Uiso 1 1 calc R . .
C26 C 1.3486(6) -0.3360(4) 0.6405(3) 0.0661(17) Uani 1 1 d . . .
H26A H 1.3320 -0.3860 0.6017 0.079 Uiso 1 1 calc R . .
H26B H 1.4331 -0.3046 0.6366 0.079 Uiso 1 1 calc R . .
C27 C 1.4569(5) -0.4095(3) 0.7373(3) 0.0583(15) Uani 1 1 d . . .
H27A H 1.5394 -0.3718 0.7429 0.070 Uiso 1 1 calc R . .
H27B H 1.4582 -0.4567 0.6975 0.070 Uiso 1 1 calc R . .
C28 C 1.4439(5) -0.4437(3) 0.8106(3) 0.0546(14) Uani 1 1 d . . .
H28A H 1.5224 -0.4695 0.8296 0.066 Uiso 1 1 calc R . .
H28B H 1.4333 -0.3975 0.8492 0.066 Uiso 1 1 calc R . .
C29 C 1.3189(5) -0.5476(3) 0.8647(3) 0.0520(14) Uani 1 1 d . . .
H29A H 1.3138 -0.5055 0.9081 0.062 Uiso 1 1 calc R . .
H29B H 1.3935 -0.5791 0.8790 0.062 Uiso 1 1 calc R . .
C30 C 1.1968(5) -0.6079(3) 0.8465(3) 0.0554(14) Uani 1 1 d . . .
H30A H 1.1985 -0.6468 0.8002 0.066 Uiso 1 1 calc R . .
H30B H 1.1879 -0.6424 0.8894 0.066 Uiso 1 1 calc R . .
C31 C 0.9724(5) -0.6105(3) 0.8236(3) 0.0518(14) Uani 1 1 d . . .
H31A H 0.9662 -0.6425 0.8683 0.062 Uiso 1 1 calc R . .
H31B H 0.9641 -0.6518 0.7777 0.062 Uiso 1 1 calc R . .
C32 C 0.8685(5) -0.5560(3) 0.8142(3) 0.0521(14) Uani 1 1 d . . .
H32A H 0.7843 -0.5901 0.8139 0.063 Uiso 1 1 calc R . .
H32B H 0.8822 -0.5109 0.8576 0.063 Uiso 1 1 calc R . .
C33 C 0.7654(5) -0.4674(4) 0.7330(3) 0.0643(16) Uani 1 1 d . . .
H33A H 0.7743 -0.4226 0.7763 0.077 Uiso 1 1 calc R . .
H33B H 0.6812 -0.5025 0.7297 0.077 Uiso 1 1 calc R . .
C34 C 0.7715(5) -0.4276(4) 0.6601(4) 0.0668(17) Uani 1 1 d . . .
H34A H 0.7723 -0.4719 0.6177 0.080 Uiso 1 1 calc R . .
H34B H 0.6950 -0.3973 0.6473 0.080 Uiso 1 1 calc R . .
C35 C 0.8977(6) -0.3284(4) 0.6049(3) 0.0619(16) Uani 1 1 d . . .
H35A H 0.8267 -0.2929 0.5948 0.074 Uiso 1 1 calc R . .
H35B H 0.8919 -0.3709 0.5601 0.074 Uiso 1 1 calc R . .
C36 C 1.0250(6) -0.2740(4) 0.6168(3) 0.0699(17) Uani 1 1 d . . .
H36A H 1.0313 -0.2403 0.5731 0.084 Uiso 1 1 calc R . .
H36B H 1.0344 -0.2343 0.6639 0.084 Uiso 1 1 calc R . .
C37 C 0.5892(5) -0.1548(3) 0.7638(3) 0.0505(13) Uani 1 1 d . . .
H37A H 0.5334 -0.2099 0.7569 0.061 Uiso 1 1 calc R . .
H37B H 0.6324 -0.1445 0.8177 0.061 Uiso 1 1 calc R . .
C38 C 0.6881(5) -0.1576(3) 0.7122(3) 0.0496(14) Uani 1 1 d . . .
H38A H 0.7316 -0.2094 0.7172 0.060 Uiso 1 1 calc R . .
H38B H 0.6463 -0.1586 0.6584 0.060 Uiso 1 1 calc R . .
C39 C 0.8760(5) -0.0822(3) 0.6848(3) 0.0557(15) Uani 1 1 d . . .
H39A H 0.8342 -0.0944 0.6307 0.067 Uiso 1 1 calc R . .
H39B H 0.9337 -0.1261 0.6966 0.067 Uiso 1 1 calc R . .
C40 C 0.9523(5) 0.0037(4) 0.6974(3) 0.0563(15) Uani 1 1 d . . .
H40A H 0.9871 0.0174 0.7524 0.068 Uiso 1 1 calc R . .
H40B H 1.0263 0.0033 0.6692 0.068 Uiso 1 1 calc R . .
C41 C 0.9450(5) 0.1473(3) 0.6774(3) 0.0544(14) Uani 1 1 d . . .
H41A H 1.0166 0.1450 0.6475 0.065 Uiso 1 1 calc R . .
H41B H 0.9822 0.1668 0.7313 0.065 Uiso 1 1 calc R . .
C42 C 0.8567(5) 0.2061(3) 0.6470(3) 0.0486(13) Uani 1 1 d . . .
H42A H 0.9063 0.2615 0.6433 0.058 Uiso 1 1 calc R . .
H42B H 0.8121 0.1830 0.5953 0.058 Uiso 1 1 calc R . .
C43 C 0.6806(5) 0.2783(3) 0.6733(3) 0.0536(14) Uani 1 1 d . . .
H43A H 0.6340 0.2611 0.6208 0.064 Uiso 1 1 calc R . .
H43B H 0.7310 0.3346 0.6744 0.064 Uiso 1 1 calc R . .
C44 C 0.5853(5) 0.2822(3) 0.7293(3) 0.0540(14) Uani 1 1 d . . .
H44A H 0.6323 0.2899 0.7824 0.065 Uiso 1 1 calc R . .
H44B H 0.5351 0.3307 0.7213 0.065 Uiso 1 1 calc R . .
C45 C 0.4044(5) 0.2059(3) 0.7624(3) 0.0518(13) Uani 1 1 d . . .
H45A H 0.3515 0.2525 0.7511 0.062 Uiso 1 1 calc R . .
H45B H 0.4435 0.2149 0.8171 0.062 Uiso 1 1 calc R . .
C46 C 0.3222(5) 0.1223(3) 0.7453(3) 0.0467(13) Uani 1 1 d . . .
H46A H 0.2453 0.1234 0.7710 0.056 Uiso 1 1 calc R . .
H46B H 0.2922 0.1103 0.6896 0.056 Uiso 1 1 calc R . .
C47 C 0.3244(5) -0.0241(3) 0.7594(3) 0.0472(13) Uani 1 1 d . . .
H47A H 0.2936 -0.0401 0.7042 0.057 Uiso 1 1 calc R . .
H47B H 0.2485 -0.0250 0.7861 0.057 Uiso 1 1 calc R . .
C48 C 0.4127(5) -0.0835(3) 0.7900(3) 0.0467(13) Uani 1 1 d . . .
H48A H 0.4499 -0.0634 0.8438 0.056 Uiso 1 1 calc R . .
H48B H 0.3640 -0.1404 0.7888 0.056 Uiso 1 1 calc R . .
C49 C 1.3126(4) 0.0270(3) 0.9851(3) 0.0470(13) Uani 1 1 d . . .
H49A H 1.2740 -0.0191 0.9448 0.056 Uiso 1 1 calc R . .
H49B H 1.4077 0.0323 0.9884 0.056 Uiso 1 1 calc R . .
C50 C 1.2641(4) 0.1089(3) 0.9660(3) 0.0430(12) Uani 1 1 d . . .
H50A H 1.2975 0.1538 1.0086 0.052 Uiso 1 1 calc R . .
H50B H 1.2964 0.1264 0.9197 0.052 Uiso 1 1 calc R . .
C51 C 1.0801(4) 0.1746(3) 0.9267(3) 0.0380(11) Uani 1 1 d . . .
H51A H 1.1033 0.1818 0.8757 0.046 Uiso 1 1 calc R . .
H51B H 1.1219 0.2246 0.9621 0.046 Uiso 1 1 calc R . .
C52 C 0.9362(4) 0.1691(2) 0.9221(2) 0.0325(10) Uani 1 1 d . . .
H52A H 0.9123 0.1604 0.9727 0.039 Uiso 1 1 calc R . .
H52B H 0.9057 0.2226 0.9064 0.039 Uiso 1 1 calc R . .
C53 C 0.7390(4) 0.0928(3) 0.8544(3) 0.0399(11) Uani 1 1 d . . .
H53A H 0.7050 0.0486 0.8114 0.048 Uiso 1 1 calc R . .
H53B H 0.7122 0.1474 0.8392 0.048 Uiso 1 1 calc R . .
C54 C 0.6801(4) 0.0712(3) 0.9225(3) 0.0380(11) Uani 1 1 d . . .
H54A H 0.7084 0.1168 0.9651 0.046 Uiso 1 1 calc R . .
H54B H 0.5847 0.0656 0.9099 0.046 Uiso 1 1 calc R . .
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
O4 K1 O6 113.95(10) . .
O4 K1 O2 112.06(10) . .
O6 K1 O2 113.71(11) . .
O4 K1 O5 57.49(9) . .
O6 K1 O5 56.77(10) . .
O2 K1 O5 140.72(10) . .
O4 K1 O1 138.78(10) . .
O6 K1 O1 56.70(10) . .
O2 K1 O1 57.13(10) . .
O5 K1 O1 103.60(10) . .
O4 K1 O3 56.25(9) . .
O6 K1 O3 144.78(10) . .
O2 K1 O3 56.65(9) . .
O5 K1 O3 106.93(9) . .
O1 K1 O3 106.02(10) . .
O7 K2 O9 109.73(10) . .
O7 K2 O11 110.00(10) . .
O9 K2 O11 111.64(10) . .
O7 K2 C19 116.4(2) . 2_656
O9 K2 C19 114.2(2) . 2_656
O11 K2 C19 94.0(2) . 2_656
O7 K2 O10 136.44(9) . .
O9 K2 O10 56.02(10) . .
O11 K2 O10 56.62(9) . .
C19 K2 O10 106.3(2) 2_656 .
O7 K2 O12 55.46(9) . .
O9 K2 O12 136.86(9) . .
O11 K2 O12 55.49(9) . .
C19 K2 O12 108.1(2) 2_656 .
O10 K2 O12 104.14(9) . .
O7 K2 C18 123.1(2) . 2_656
O9 K2 C18 87.3(2) . 2_656
O11 K2 C18 112.8(2) . 2_656
C19 K2 C18 28.1(2) 2_656 2_656
O10 K2 C18 98.7(2) . 2_656
O12 K2 C18 135.7(2) . 2_656
O7 K2 C24 90.2(2) . 2_656
O9 K2 C24 128.8(2) . 2_656
O11 K2 C24 104.0(2) . 2_656
C19 K2 C24 26.2(3) 2_656 2_656
O10 K2 C24 132.1(2) . 2_656
O12 K2 C24 93.5(2) . 2_656
C18 K2 C24 44.5(3) 2_656 2_656
O7 K2 O8 55.15(9) . .
O9 K2 O8 55.35(9) . .
O11 K2 O8 136.05(9) . .
C19 K2 O8 129.93(19) 2_656 .
O10 K2 O8 103.12(9) . .
O12 K2 O8 102.72(8) . .
C18 K2 O8 108.4(2) 2_656 .
C24 K2 O8 116.0(2) 2_656 .
O7 K2 C13 100.23(18) . 2_656
O9 K2 C13 84.2(2) . 2_656
O11 K2 C13 137.3(2) . 2_656
C19 K2 C13 44.6(3) 2_656 2_656
O10 K2 C13 116.70(19) . 2_656
O12 K2 C13 135.1(2) . 2_656
C18 K2 C13 25.6(2) 2_656 2_656
C24 K2 C13 45.3(3) 2_656 2_656
O8 K2 C13 86.0(2) . 2_656
O7 K2 Si2 74.92(8) . 2_656
O9 K2 Si2 108.65(9) . 2_656
O11 K2 Si2 134.13(9) . 2_656
C19 K2 Si2 48.91(18) 2_656 2_656
O10 K2 Si2 146.47(8) . 2_656
O12 K2 Si2 105.38(8) . 2_656
C18 K2 Si2 48.4(2) 2_656 2_656
C24 K2 Si2 30.8(2) 2_656 2_656
O8 K2 Si2 85.54(8) . 2_656
C13 K2 Si2 30.60(18) 2_656 2_656
O14 K3 O15 63.00(8) . .
O14 K3 O13 111.69(9) . 2_757
O15 K3 O13 60.02(8) . 2_757
O14 K3 O13 59.01(8) . .
O15 K3 O13 100.40(9) . .
O13 K3 O13 98.20(7) 2_757 .
O14 K3 K3 83.46(7) . 2_757
O15 K3 K3 76.02(7) . 2_757
O13 K3 K3 49.37(6) 2_757 2_757
O13 K3 K3 48.83(6) . 2_757
C36 O1 C25 110.0(4) . .
C36 O1 K1 104.3(3) . .
C25 O1 K1 109.2(3) . .
C27 O2 C26 114.1(4) . .
C27 O2 K1 119.4(3) . .
C26 O2 K1 119.4(3) . .
C28 O3 C29 113.1(4) . .
C28 O3 K1 102.2(3) . .
C29 O3 K1 106.0(3) . .
C31 O4 C30 112.2(4) . .
C31 O4 K1 120.1(3) . .
C30 O4 K1 123.0(3) . .
C33 O5 C32 111.0(4) . .
C33 O5 K1 106.0(3) . .
C32 O5 K1 102.9(3) . .
C34 O6 C35 112.0(4) . .
C34 O6 K1 121.0(3) . .
C35 O6 K1 120.3(3) . .
C37 O7 C48 113.3(4) . .
C37 O7 K2 123.0(3) . .
C48 O7 K2 121.7(3) . .
C39 O8 C38 110.6(4) . .
C39 O8 K2 101.7(3) . .
C38 O8 K2 95.8(2) . .
C41 O9 C40 113.1(4) . .
C41 O9 K2 121.0(3) . .
C40 O9 K2 123.0(3) . .
C42 O10 C43 112.7(4) . .
C42 O10 K2 101.0(3) . .
C43 O10 K2 104.7(3) . .
C45 O11 C44 111.8(4) . .
C45 O11 K2 122.4(3) . .
C44 O11 K2 119.9(3) . .
C47 O12 C46 112.5(3) . .
C47 O12 K2 103.8(3) . .
C46 O12 K2 103.3(2) . .
C51 O13 C50 110.2(3) . .
C51 O13 K3 116.3(2) . 2_757
C50 O13 K3 102.6(2) . 2_757
C51 O13 K3 112.8(2) . .
C50 O13 K3 129.0(2) . .
K3 O13 K3 81.80(7) 2_757 .
C53 O14 C52 113.2(3) . .
C53 O14 K3 106.2(2) . .
C52 O14 K3 116.6(2) . .
C49 O15 C54 112.2(3) 2_757 .
C49 O15 K3 122.2(2) 2_757 .
C54 O15 K3 117.7(2) . .
C1 Si1 C12 87.12(18) . .
C2 C1 C6 114.6(4) . .
C2 C1 Si1 131.6(3) . .
C6 C1 Si1 113.7(3) . .
C3 C2 C1 123.6(4) . .
C2 C3 C4 120.1(4) . .
C5 C4 C3 120.9(4) . .
C4 C5 C6 119.4(4) . .
C5 C6 C7 126.6(4) . .
C5 C6 C1 121.3(4) . .
C7 C6 C1 112.0(3) . .
C8 C7 C12 121.4(4) . .
C8 C7 C6 125.0(4) . .
C12 C7 C6 113.5(3) . .
C9 C8 C7 120.6(4) . .
C8 C9 C10 119.3(4) . .
C11 C10 C9 120.8(4) . .
C10 C11 C12 122.8(4) . .
C7 C12 C11 115.0(4) . .
C7 C12 Si1 113.6(3) . .
C11 C12 Si1 131.3(3) . .
C13 Si2 C24 85.6(5) . .
C13 Si2 K2 66.4(4) . 2_656
C24 Si2 K2 61.8(5) . 2_656
C18 C13 C14 116.1(9) . .
C18 C13 Si2 114.7(8) . .
C14 C13 Si2 129.0(8) . .
C18 C13 K2 67.1(8) . 2_656
C14 C13 K2 113.8(8) . 2_656
Si2 C13 K2 83.0(4) . 2_656
C15 C14 C13 122.1(10) . .
C14 C15 C16 118.5(11) . .
C17 C16 C15 124.2(10) . .
C16 C17 C18 117.7(10) . .
C17 C18 C19 126.2(10) . .
C17 C18 C13 121.3(10) . .
C19 C18 C13 112.4(9) . .
C17 C18 K2 107.5(8) . 2_656
C19 C18 K2 74.3(8) . 2_656
C13 C18 K2 87.4(8) . 2_656
C20 C19 C24 124.1(10) . .
C20 C19 C18 125.8(9) . .
C24 C19 C18 109.9(9) . .
C20 C19 K2 102.5(7) . 2_656
C24 C19 K2 83.1(9) . 2_656
C18 C19 K2 77.6(8) . 2_656
C21 C20 C19 119.0(10) . .
C22 C21 C20 118.9(11) . .
C21 C22 C23 124.7(12) . .
C22 C23 C24 118.4(10) . .
C19 C24 C23 114.6(9) . .
C19 C24 Si2 117.3(8) . .
C23 C24 Si2 128.0(8) . .
C19 C24 K2 70.7(8) . 2_656
C23 C24 K2 112.2(9) . 2_656
Si2 C24 K2 87.4(5) . 2_656
O1 C25 C26 109.8(4) . .
O2 C26 C25 109.9(5) . .
O2 C27 C28 110.1(4) . .
O3 C28 C27 108.6(4) . .
O3 C29 C30 108.2(4) . .
O4 C30 C29 108.1(4) . .
O4 C31 C32 109.1(4) . .
O5 C32 C31 109.9(4) . .
O5 C33 C34 108.5(4) . .
O6 C34 C33 108.0(5) . .
O6 C35 C36 109.7(4) . .
O1 C36 C35 107.6(5) . .
O7 C37 C38 108.9(4) . .
O8 C38 C37 108.2(4) . .
O8 C39 C40 108.6(4) . .
O9 C40 C39 111.4(4) . .
O9 C41 C42 108.1(4) . .
O10 C42 C41 109.5(4) . .
O10 C43 C44 107.0(4) . .
O11 C44 C43 108.1(4) . .
O11 C45 C46 107.8(4) . .
O12 C46 C45 108.7(4) . .
O12 C47 C48 106.4(4) . .
O7 C48 C47 110.1(4) . .
O15 C49 C50 108.7(4) 2_757 .
O13 C50 C49 110.7(4) . .
O13 C51 C52 110.1(3) . .
O14 C52 C51 108.8(3) . .
O14 C53 C54 113.4(3) . .
O15 C54 C53 108.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O4 2.870(3) .
K1 O6 2.893(4) .
K1 O2 2.910(3) .
K1 O5 2.998(3) .
K1 O1 3.010(3) .
K1 O3 3.047(3) .
K2 O7 2.892(3) .
K2 O9 2.912(3) .
K2 O11 2.936(3) .
K2 C19 3.043(12) 2_656
K2 O10 3.037(3) .
K2 O12 3.095(3) .
K2 C18 3.088(16) 2_656
K2 C24 3.202(16) 2_656
K2 O8 3.235(3) .
K2 C13 3.350(11) 2_656
K2 Si2 3.629(3) 2_656
K3 O14 2.704(3) .
K3 O15 2.716(3) .
K3 O13 2.973(3) 2_757
K3 O13 2.998(3) .
K3 K3 3.910(2) 2_757
O1 C36 1.424(6) .
O1 C25 1.425(6) .
O2 C27 1.416(6) .
O2 C26 1.425(6) .
O3 C28 1.414(5) .
O3 C29 1.425(5) .
O4 C31 1.401(5) .
O4 C30 1.411(6) .
O5 C33 1.414(6) .
O5 C32 1.425(6) .
O6 C34 1.404(6) .
O6 C35 1.415(6) .
O7 C37 1.413(5) .
O7 C48 1.419(6) .
O8 C39 1.422(6) .
O8 C38 1.429(6) .
O9 C41 1.393(6) .
O9 C40 1.428(6) .
O10 C42 1.423(6) .
O10 C43 1.423(5) .
O11 C45 1.406(6) .
O11 C44 1.411(5) .
O12 C47 1.423(5) .
O12 C46 1.426(5) .
O13 C51 1.419(5) .
O13 C50 1.439(5) .
O13 K3 2.973(3) 2_757
O14 C53 1.430(5) .
O14 C52 1.431(5) .
O15 C49 1.403(5) 2_757
O15 C54 1.448(5) .
Si1 C1 1.865(4) .
Si1 C12 1.867(4) .
C1 C2 1.428(6) .
C1 C6 1.451(5) .
C2 C3 1.373(6) .
C3 C4 1.394(6) .
C4 C5 1.380(6) .
C5 C6 1.427(6) .
C6 C7 1.457(6) .
C7 C8 1.403(5) .
C7 C12 1.431(5) .
C8 C9 1.381(6) .
C9 C10 1.402(6) .
C10 C11 1.353(6) .
C11 C12 1.440(6) .
Si2 C13 1.861(10) .
Si2 C24 1.858(11) .
Si2 K2 3.629(3) 2_656
C13 C18 1.448(13) .
C13 C14 1.463(12) .
C13 K2 3.350(11) 2_656
C14 C15 1.365(12) .
C15 C16 1.410(12) .
C16 C17 1.374(12) .
C17 C18 1.424(12) .
C18 C19 1.489(13) .
C18 K2 3.088(16) 2_656
C19 C20 1.406(12) .
C19 C24 1.424(13) .
C19 K2 3.043(12) 2_656
C20 C21 1.382(12) .
C21 C22 1.367(12) .
C22 C23 1.397(13) .
C23 C24 1.468(13) .
C24 K2 3.202(15) 2_656
C25 C26 1.463(8) .
C27 C28 1.479(7) .
C29 C30 1.497(7) .
C31 C32 1.468(7) .
C33 C34 1.501(8) .
C35 C36 1.495(8) .
C37 C38 1.494(7) .
C39 C40 1.493(7) .
C41 C42 1.468(7) .
C43 C44 1.521(7) .
C45 C46 1.492(6) .
C47 C48 1.476(6) .
C49 O15 1.403(5) 2_757
C49 C50 1.498(6) .
C51 C52 1.500(6) .
C53 C54 1.495(6) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 K1 O1 C36 127.7(3) . .
O6 K1 O1 C36 38.4(3) . .
O2 K1 O1 C36 -145.7(3) . .
O5 K1 O1 C36 71.9(3) . .
O3 K1 O1 C36 -175.7(3) . .
O4 K1 O1 C25 -114.7(3) . .
O6 K1 O1 C25 156.0(3) . .
O2 K1 O1 C25 -28.1(3) . .
O5 K1 O1 C25 -170.5(3) . .
O3 K1 O1 C25 -58.1(3) . .
O4 K1 O2 C27 -18.5(3) . .
O6 K1 O2 C27 -149.5(3) . .
O5 K1 O2 C27 -83.6(4) . .
O1 K1 O2 C27 -153.3(4) . .
O3 K1 O2 C27 -8.3(3) . .
O4 K1 O2 C26 130.4(4) . .
O6 K1 O2 C26 -0.6(4) . .
O5 K1 O2 C26 65.3(4) . .
O1 K1 O2 C26 -4.4(3) . .
O3 K1 O2 C26 140.6(4) . .
O4 K1 O3 C28 -152.6(3) . .
O6 K1 O3 C28 123.2(3) . .
O2 K1 O3 C28 38.7(3) . .
O5 K1 O3 C28 178.9(3) . .
O1 K1 O3 C28 68.9(3) . .
O4 K1 O3 C29 -33.9(3) . .
O6 K1 O3 C29 -118.2(3) . .
O2 K1 O3 C29 157.4(3) . .
O5 K1 O3 C29 -62.4(3) . .
O1 K1 O3 C29 -172.4(3) . .
O6 K1 O4 C31 -11.3(3) . .
O2 K1 O4 C31 -142.3(3) . .
O5 K1 O4 C31 -5.2(3) . .
O1 K1 O4 C31 -77.5(4) . .
O3 K1 O4 C31 -152.4(3) . .
O6 K1 O4 C30 142.5(3) . .
O2 K1 O4 C30 11.6(4) . .
O5 K1 O4 C30 148.7(4) . .
O1 K1 O4 C30 76.4(4) . .
O3 K1 O4 C30 1.4(3) . .
O4 K1 O5 C33 152.3(3) . .
O6 K1 O5 C33 -34.5(3) . .
O2 K1 O5 C33 -122.1(3) . .
O1 K1 O5 C33 -68.0(3) . .
O3 K1 O5 C33 -179.7(3) . .
O4 K1 O5 C32 35.6(3) . .
O6 K1 O5 C32 -151.2(3) . .
O2 K1 O5 C32 121.2(3) . .
O1 K1 O5 C32 175.3(3) . .
O3 K1 O5 C32 63.6(3) . .
O4 K1 O6 C34 7.7(4) . .
O2 K1 O6 C34 137.8(3) . .
O5 K1 O6 C34 1.5(3) . .
O1 K1 O6 C34 141.6(4) . .
O3 K1 O6 C34 72.6(4) . .
O4 K1 O6 C35 -141.2(3) . .
O2 K1 O6 C35 -11.1(4) . .
O5 K1 O6 C35 -147.4(4) . .
O1 K1 O6 C35 -7.3(3) . .
O3 K1 O6 C35 -76.3(4) . .
O9 K2 O7 C37 -22.5(3) . .
O11 K2 O7 C37 -145.7(3) . .
C19 K2 O7 C37 109.0(4) 2_656 .
O10 K2 O7 C37 -83.5(4) . .
O12 K2 O7 C37 -156.4(4) . .
C18 K2 O7 C37 77.5(4) 2_656 .
C24 K2 O7 C37 109.4(4) 2_656 .
O8 K2 O7 C37 -12.8(3) . .
C13 K2 O7 C37 64.9(4) 2_656 .
Si2 K2 O7 C37 82.3(3) 2_656 .
O9 K2 O7 C48 140.5(3) . .
O11 K2 O7 C48 17.4(3) . .
C19 K2 O7 C48 -87.9(4) 2_656 .
O10 K2 O7 C48 79.5(3) . .
O12 K2 O7 C48 6.6(3) . .
C18 K2 O7 C48 -119.5(4) 2_656 .
C24 K2 O7 C48 -87.6(4) 2_656 .
O8 K2 O7 C48 150.2(3) . .
C13 K2 O7 C48 -132.0(4) 2_656 .
Si2 K2 O7 C48 -114.7(3) 2_656 .
O7 K2 O8 C39 154.2(3) . .
O9 K2 O8 C39 -36.8(3) . .
O11 K2 O8 C39 -122.8(3) . .
C19 K2 O8 C39 57.2(4) 2_656 .
O10 K2 O8 C39 -67.7(3) . .
O12 K2 O8 C39 -175.7(3) . .
C18 K2 O8 C39 36.3(4) 2_656 .
C24 K2 O8 C39 83.9(4) 2_656 .
C13 K2 O8 C39 48.8(3) 2_656 .
Si2 K2 O8 C39 79.5(3) 2_656 .
O7 K2 O8 C38 41.7(2) . .
O9 K2 O8 C38 -149.3(3) . .
O11 K2 O8 C38 124.7(3) . .
C19 K2 O8 C38 -55.3(4) 2_656 .
O10 K2 O8 C38 179.8(2) . .
O12 K2 O8 C38 71.8(3) . .
C18 K2 O8 C38 -76.3(3) 2_656 .
C24 K2 O8 C38 -28.6(3) 2_656 .
C13 K2 O8 C38 -63.7(3) 2_656 .
Si2 K2 O8 C38 -33.0(2) 2_656 .
O7 K2 O9 C41 -143.0(3) . .
O11 K2 O9 C41 -20.8(3) . .
C19 K2 O9 C41 84.3(4) 2_656 .
O10 K2 O9 C41 -9.6(3) . .
O12 K2 O9 C41 -82.9(4) . .
C18 K2 O9 C41 92.7(4) 2_656 .
C24 K2 O9 C41 110.0(4) 2_656 .
O8 K2 O9 C41 -152.6(4) . .
C13 K2 O9 C41 118.2(4) 2_656 .
Si2 K2 O9 C41 136.8(3) 2_656 .
O7 K2 O9 C40 16.2(3) . .
O11 K2 O9 C40 138.5(3) . .
C19 K2 O9 C40 -116.4(4) 2_656 .
O10 K2 O9 C40 149.6(3) . .
O12 K2 O9 C40 76.4(3) . .
C18 K2 O9 C40 -108.0(4) 2_656 .
C24 K2 O9 C40 -90.8(4) 2_656 .
O8 K2 O9 C40 6.6(3) . .
C13 K2 O9 C40 -82.6(4) 2_656 .
Si2 K2 O9 C40 -63.9(3) 2_656 .
O7 K2 O10 C42 122.2(3) . .
O9 K2 O10 C42 39.0(3) . .
O11 K2 O10 C42 -153.4(3) . .
C19 K2 O10 C42 -69.5(3) 2_656 .
O12 K2 O10 C42 176.5(3) . .
C18 K2 O10 C42 -41.8(3) 2_656 .
C24 K2 O10 C42 -75.2(4) 2_656 .
O8 K2 O10 C42 69.5(3) . .
C13 K2 O10 C42 -22.6(4) 2_656 .
Si2 K2 O10 C42 -32.4(3) 2_656 .
O7 K2 O10 C43 -120.6(3) . .
O9 K2 O10 C43 156.1(3) . .
O11 K2 O10 C43 -36.3(3) . .
C19 K2 O10 C43 47.7(3) 2_656 .
O12 K2 O10 C43 -66.3(3) . .
C18 K2 O10 C43 75.4(4) 2_656 .
C24 K2 O10 C43 41.9(4) 2_656 .
O8 K2 O10 C43 -173.3(3) . .
C13 K2 O10 C43 94.6(3) 2_656 .
Si2 K2 O10 C43 84.7(3) 2_656 .
O7 K2 O11 C45 -15.7(4) . .
O9 K2 O11 C45 -137.7(3) . .
C19 K2 O11 C45 104.3(4) 2_656 .
O10 K2 O11 C45 -148.8(4) . .
O12 K2 O11 C45 -4.9(3) . .
C18 K2 O11 C45 125.9(4) 2_656 .
C24 K2 O11 C45 79.7(4) 2_656 .
O8 K2 O11 C45 -75.8(4) . .
C13 K2 O11 C45 116.7(4) 2_656 .
Si2 K2 O11 C45 72.5(4) 2_656 .
O7 K2 O11 C44 135.3(3) . .
O9 K2 O11 C44 13.2(3) . .
C19 K2 O11 C44 -104.8(4) 2_656 .
O10 K2 O11 C44 2.1(3) . .
O12 K2 O11 C44 146.0(3) . .
C18 K2 O11 C44 -83.2(4) 2_656 .
C24 K2 O11 C44 -129.4(4) 2_656 .
O8 K2 O11 C44 75.2(3) . .
C13 K2 O11 C44 -92.4(4) 2_656 .
Si2 K2 O11 C44 -136.6(3) 2_656 .
O7 K2 O12 C47 -38.2(2) . .
O9 K2 O12 C47 -120.5(3) . .
O11 K2 O12 C47 154.1(3) . .
C19 K2 O12 C47 71.8(3) 2_656 .
O10 K2 O12 C47 -175.4(2) . .
C18 K2 O12 C47 65.8(4) 2_656 .
C24 K2 O12 C47 49.5(3) 2_656 .
O8 K2 O12 C47 -68.2(2) . .
C13 K2 O12 C47 29.1(4) 2_656 .
Si2 K2 O12 C47 20.7(3) 2_656 .
O7 K2 O12 C46 -155.8(3) . .
O9 K2 O12 C46 121.9(3) . .
O11 K2 O12 C46 36.5(2) . .
C19 K2 O12 C46 -45.8(3) 2_656 .
O10 K2 O12 C46 67.0(3) . .
C18 K2 O12 C46 -51.8(4) 2_656 .
C24 K2 O12 C46 -68.1(3) 2_656 .
O8 K2 O12 C46 174.2(3) . .
C13 K2 O12 C46 -88.5(4) 2_656 .
Si2 K2 O12 C46 -96.9(3) 2_656 .
O14 K3 O13 C51 -4.7(2) . .
O15 K3 O13 C51 -54.3(3) . .
O13 K3 O13 C51 -115.2(3) 2_757 .
K3 K3 O13 C51 -115.2(3) 2_757 .
O14 K3 O13 C50 -150.0(3) . .
O15 K3 O13 C50 160.5(3) . .
O13 K3 O13 C50 99.6(3) 2_757 .
K3 K3 O13 C50 99.6(3) 2_757 .
O14 K3 O13 K3 110.42(10) . 2_757
O15 K3 O13 K3 60.86(8) . 2_757
O13 K3 O13 K3 0.0 2_757 2_757
O15 K3 O14 C53 -33.2(2) . .
O13 K3 O14 C53 -69.5(2) 2_757 .
O13 K3 O14 C53 -156.1(3) . .
K3 K3 O14 C53 -110.8(2) 2_757 .
O15 K3 O14 C52 93.9(3) . .
O13 K3 O14 C52 57.7(3) 2_757 .
O13 K3 O14 C52 -28.9(2) . .
K3 K3 O14 C52 16.3(2) 2_757 .
O14 K3 O15 C49 -140.6(3) . 2_757
O13 K3 O15 C49 0.0(3) 2_757 2_757
O13 K3 O15 C49 -93.5(3) . 2_757
K3 K3 O15 C49 -50.8(3) 2_757 2_757
O14 K3 O15 C54 6.1(3) . .
O13 K3 O15 C54 146.7(3) 2_757 .
O13 K3 O15 C54 53.2(3) . .
K3 K3 O15 C54 95.8(3) 2_757 .
C12 Si1 C1 C2 176.0(4) . .
C12 Si1 C1 C6 -0.2(3) . .
C6 C1 C2 C3 0.9(6) . .
Si1 C1 C2 C3 -175.3(4) . .
C1 C2 C3 C4 -2.1(7) . .
C2 C3 C4 C5 0.8(7) . .
C3 C4 C5 C6 1.6(6) . .
C4 C5 C6 C7 175.9(4) . .
C4 C5 C6 C1 -2.7(6) . .
C2 C1 C6 C5 1.5(6) . .
Si1 C1 C6 C5 178.4(3) . .
C2 C1 C6 C7 -177.4(4) . .
Si1 C1 C6 C7 -0.5(4) . .
C5 C6 C7 C8 -0.9(7) . .
C1 C6 C7 C8 177.8(4) . .
C5 C6 C7 C12 -177.7(4) . .
C1 C6 C7 C12 1.1(5) . .
C12 C7 C8 C9 1.9(7) . .
C6 C7 C8 C9 -174.6(4) . .
C7 C8 C9 C10 -1.2(7) . .
C8 C9 C10 C11 -0.9(7) . .
C9 C10 C11 C12 2.2(7) . .
C8 C7 C12 C11 -0.6(6) . .
C6 C7 C12 C11 176.3(4) . .
C8 C7 C12 Si1 -178.1(3) . .
C6 C7 C12 Si1 -1.3(4) . .
C10 C11 C12 C7 -1.5(6) . .
C10 C11 C12 Si1 175.5(4) . .
C1 Si1 C12 C7 0.8(3) . .
C1 Si1 C12 C11 -176.2(4) . .
C24 Si2 C13 C18 -0.4(8) . .
K2 Si2 C13 C18 60.7(10) 2_656 .
C24 Si2 C13 C14 -176.2(13) . .
K2 Si2 C13 C14 -115.1(12) 2_656 .
C24 Si2 C13 K2 -61.1(5) . 2_656
C18 C13 C14 C15 1.4(19) . .
Si2 C13 C14 C15 177.2(8) . .
K2 C13 C14 C15 76.4(11) 2_656 .
C13 C14 C15 C16 0.8(16) . .
C14 C15 C16 C17 -1.9(15) . .
C15 C16 C17 C18 0.7(15) . .
C16 C17 C18 C19 -179.2(14) . .
C16 C17 C18 C13 1.7(18) . .
C16 C17 C18 K2 -96.1(9) . 2_656
C14 C13 C18 C17 -3(2) . .
Si2 C13 C18 C17 -179.1(10) . .
K2 C13 C18 C17 -109.0(14) 2_656 .
C14 C13 C18 C19 178.1(9) . .
Si2 C13 C18 C19 1.7(18) . .
K2 C13 C18 C19 71.8(12) 2_656 .
C14 C13 C18 K2 106.3(10) . 2_656
Si2 C13 C18 K2 -70.1(8) . 2_656
C17 C18 C19 C20 4(2) . .
C13 C18 C19 C20 -176.9(9) . .
K2 C18 C19 C20 -96.6(12) 2_656 .
C17 C18 C19 C24 178.4(8) . .
C13 C18 C19 C24 -2(2) . .
K2 C18 C19 C24 77.9(12) 2_656 .
C17 C18 C19 K2 100.5(14) . 2_656
C13 C18 C19 K2 -80.3(12) . 2_656
C24 C19 C20 C21 4.0(17) . .
C18 C19 C20 C21 177.7(13) . .
K2 C19 C20 C21 94.1(9) 2_656 .
C19 C20 C21 C22 0.4(14) . .
C20 C21 C22 C23 -2.6(16) . .
C21 C22 C23 C24 0.5(17) . .
C20 C19 C24 C23 -6(2) . .
C18 C19 C24 C23 179.6(8) . .
K2 C19 C24 C23 -106.2(12) 2_656 .
C20 C19 C24 Si2 176.9(9) . .
C18 C19 C24 Si2 2(2) . .
K2 C19 C24 Si2 76.4(10) 2_656 .
C20 C19 C24 K2 100.5(11) . 2_656
C18 C19 C24 K2 -74.2(12) . 2_656
C22 C23 C24 C19 3(2) . .
C22 C23 C24 Si2 -179.5(9) . .
C22 C23 C24 K2 -74.6(12) . 2_656
C13 Si2 C24 C19 -1.1(11) . .
K2 Si2 C24 C19 -66.6(11) 2_656 .
C13 Si2 C24 C23 -178.1(15) . .
K2 Si2 C24 C23 116.4(15) 2_656 .
C13 Si2 C24 K2 65.5(4) . 2_656
C36 O1 C25 C26 174.3(5) . .
K1 O1 C25 C26 60.3(5) . .
C27 O2 C26 C25 -173.7(4) . .
K1 O2 C26 C25 35.9(6) . .
O1 C25 C26 O2 -65.6(6) . .
C26 O2 C27 C28 -173.2(4) . .
K1 O2 C27 C28 -22.7(5) . .
C29 O3 C28 C27 175.5(4) . .
K1 O3 C28 C27 -71.1(4) . .
O2 C27 C28 O3 67.0(5) . .
C28 O3 C29 C30 176.9(4) . .
K1 O3 C29 C30 65.7(4) . .
C31 O4 C30 C29 -174.4(4) . .
K1 O4 C30 C29 29.9(5) . .
O3 C29 C30 O4 -65.6(5) . .
C30 O4 C31 C32 177.6(4) . .
K1 O4 C31 C32 -25.9(5) . .
C33 O5 C32 C31 178.3(4) . .
K1 O5 C32 C31 -68.6(4) . .
O4 C31 C32 O5 67.0(5) . .
C32 O5 C33 C34 178.3(4) . .
K1 O5 C33 C34 67.2(5) . .
C35 O6 C34 C33 -178.9(4) . .
K1 O6 C34 C33 29.8(5) . .
O5 C33 C34 O6 -66.8(6) . .
C34 O6 C35 C36 -175.3(4) . .
K1 O6 C35 C36 -23.7(6) . .
C25 O1 C36 C35 173.3(4) . .
K1 O1 C36 C35 -69.7(4) . .
O6 C35 C36 O1 65.2(6) . .
C48 O7 C37 C38 177.5(4) . .
K2 O7 C37 C38 -18.2(5) . .
C39 O8 C38 C37 -178.9(4) . .
K2 O8 C38 C37 -74.1(3) . .
O7 C37 C38 O8 69.8(5) . .
C38 O8 C39 C40 167.8(4) . .
K2 O8 C39 C40 67.0(4) . .
C41 O9 C40 C39 -175.1(4) . .
K2 O9 C40 C39 24.1(5) . .
O8 C39 C40 O9 -66.4(5) . .
C40 O9 C41 C42 177.5(4) . .
K2 O9 C41 C42 -21.3(5) . .
C43 O10 C42 C41 175.9(4) . .
K2 O10 C42 C41 -73.0(4) . .
O9 C41 C42 O10 67.3(5) . .
C42 O10 C43 C44 178.6(4) . .
K2 O10 C43 C44 69.7(4) . .
C45 O11 C44 C43 -175.9(4) . .
K2 O11 C44 C43 30.4(5) . .
O10 C43 C44 O11 -69.7(5) . .
C44 O11 C45 C46 -179.6(4) . .
K2 O11 C45 C46 -26.6(5) . .
C47 O12 C46 C45 178.7(4) . .
K2 O12 C46 C45 -70.0(4) . .
O11 C45 C46 O12 67.7(5) . .
C46 O12 C47 C48 -179.6(4) . .
K2 O12 C47 C48 69.4(4) . .
C37 O7 C48 C47 -170.0(4) . .
K2 O7 C48 C47 25.4(5) . .
O12 C47 C48 O7 -66.6(5) . .
C51 O13 C50 C49 -173.6(4) . .
K3 O13 C50 C49 62.0(4) 2_757 .
K3 O13 C50 C49 -27.6(5) . .
O15 C49 C50 O13 -65.8(5) 2_757 .
C50 O13 C51 C52 -173.3(3) . .
K3 O13 C51 C52 -57.1(4) 2_757 .
K3 O13 C51 C52 34.9(4) . .
C53 O14 C52 C51 -175.4(3) . .
K3 O14 C52 C51 60.9(4) . .
O13 C51 C52 O14 -62.6(4) . .
C52 O14 C53 C54 -66.1(4) . .
K3 O14 C53 C54 63.1(4) . .
C49 O15 C54 C53 170.9(4) 2_757 .
K3 O15 C54 C53 21.0(4) . .
O14 C53 C54 O15 -57.9(5) . .
