# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1a
_database_code_depnum_ccdc_archive 'CCDC 2041825'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H88 Cl4 O14 Si12'
_chemical_formula_weight         1608.26

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8421(5)
_cell_length_b                   16.9319(6)
_cell_length_c                   18.6056(7)
_cell_angle_alpha                90.263(3)
_cell_angle_beta                 91.075(3)
_cell_angle_gamma                93.084(3)
_cell_volume                     4039.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    13692
_cell_measurement_theta_min      3.0910
_cell_measurement_theta_max      28.3470

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.382
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.96911
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.1544
_diffrn_reflns_number            43342
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.909
_diffrn_reflns_theta_max         28.548
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             18920
_reflns_number_gt                16184
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0493P)²+1.6855P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18920
_refine_ls_number_parameters     884
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0360
_refine_ls_wR_factor_ref         0.0924
_refine_ls_wR_factor_gt          0.0899
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002

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
Si1 Si 0.91135(5) 0.84845(4) 0.23462(4) 0.01054(16) Uani 1 1 d . . . . .
Si2 Si 0.90873(5) 0.66820(4) 0.27482(4) 0.01103(16) Uani 1 1 d . . . . .
Si3 Si 0.59236(5) 0.83956(4) 0.27710(4) 0.01056(16) Uani 1 1 d . . . . .
Si4 Si 0.58651(5) 0.65898(4) 0.22907(4) 0.01101(16) Uani 1 1 d . . . . .
Si5 Si 0.71414(5) 0.89191(5) 0.14575(4) 0.01197(16) Uani 1 1 d . . . . .
Si6 Si 0.78718(5) 0.88921(5) 0.36893(4) 0.01157(16) Uani 1 1 d . . . . .
Si7 Si 0.71568(5) 0.61787(5) 0.36280(4) 0.01170(16) Uani 1 1 d . . . . .
Si8 Si 0.78008(5) 0.61398(5) 0.14104(4) 0.01266(17) Uani 1 1 d . . . . .
Si9 Si 0.56756(6) 0.81351(5) 0.02462(5) 0.01621(18) Uani 1 1 d . . . . .
Si10 Si 0.58820(5) 0.67466(5) 0.49276(5) 0.01426(17) Uani 1 1 d . . . . .
Si11 Si 0.92517(5) 0.83068(5) 0.49456(5) 0.01417(17) Uani 1 1 d . . . . .
Si12 Si 0.91437(6) 0.69630(5) 0.01993(5) 0.01693(18) Uani 1 1 d . . . . .
O1 O 0.56837(13) 0.75001(11) 0.24887(11) 0.0163(4) Uani 1 1 d . . . . .
O2 O 0.93901(12) 0.75838(11) 0.25170(11) 0.0158(4) Uani 1 1 d . . . . .
O3 O 0.68340(13) 0.83953(11) 0.33828(11) 0.0136(4) Uani 1 1 d . . . . .
O4 O 0.63148(13) 0.89552(11) 0.21101(11) 0.0149(4) Uani 1 1 d . . . . .
O5 O 0.81681(13) 0.66932(11) 0.33330(11) 0.0138(4) Uani 1 1 d . . . . .
O6 O 0.87621(13) 0.89092(11) 0.30809(11) 0.0151(4) Uani 1 1 d . . . . .
O7 O 0.86751(13) 0.61627(11) 0.20546(11) 0.0159(4) Uani 1 1 d . . . . .
O8 O 0.67577(13) 0.65419(11) 0.16939(11) 0.0154(4) Uani 1 1 d . . . . .
O9 O 0.81626(13) 0.84827(11) 0.17592(11) 0.0138(4) Uani 1 1 d . . . . .
O10 O 0.62396(13) 0.61373(11) 0.30116(11) 0.0157(4) Uani 1 1 d . . . . .
O11 O 0.66583(13) 0.84141(12) 0.07863(11) 0.0167(4) Uani 1 1 d . . . . .
O12 O 0.67910(13) 0.66235(11) 0.43376(11) 0.0155(4) Uani 1 1 d . . . . .
O13 O 0.82505(13) 0.84609(11) 0.44114(11) 0.0152(4) Uani 1 1 d . . . . .
O14 O 0.82074(13) 0.66448(12) 0.07337(11) 0.0178(4) Uani 1 1 d . . . . .
C11 C 1.03093(19) 0.89994(16) 0.20024(16) 0.0134(6) Uani 1 1 d . . . . .
C12 C 1.1272(2) 0.86554(19) 0.20753(18) 0.0235(7) Uani 1 1 d . . . . .
H12 H 1.1304 0.8149 0.2289 0.028 Uiso 1 1 calc R U . . .
C13 C 1.2189(2) 0.9047(2) 0.18379(19) 0.0282(8) Uani 1 1 d . . . . .
H13 H 1.2838 0.8808 0.1895 0.034 Uiso 1 1 calc R U . . .
C14 C 1.2149(2) 0.9774(2) 0.15231(17) 0.0235(7) Uani 1 1 d . . . . .
H14 H 1.2772 1.0039 0.1361 0.028 Uiso 1 1 calc R U . . .
C15 C 1.1214(2) 1.01249(19) 0.14402(18) 0.0249(7) Uani 1 1 d . . . . .
H15 H 1.1192 1.0630 0.1223 0.030 Uiso 1 1 calc R U . . .
C16 C 1.0302(2) 0.97385(17) 0.16750(17) 0.0193(7) Uani 1 1 d . . . . .
H16 H 0.9659 0.9983 0.1611 0.023 Uiso 1 1 calc R U . . .
C21 C 1.02730(18) 0.62437(16) 0.31228(16) 0.0123(6) Uani 1 1 d . . . . .
C22 C 1.1118(2) 0.67298(17) 0.33897(17) 0.0182(7) Uani 1 1 d . . . . .
H22 H 1.1080 0.7288 0.3377 0.022 Uiso 1 1 calc R U . . .
C23 C 1.2004(2) 0.64052(19) 0.36695(19) 0.0227(7) Uani 1 1 d . . . . .
H23 H 1.2570 0.6742 0.3843 0.027 Uiso 1 1 calc R U . . .
C24 C 1.2069(2) 0.55945(19) 0.36983(19) 0.0236(7) Uani 1 1 d . . . . .
H24 H 1.2676 0.5373 0.3893 0.028 Uiso 1 1 calc R U . . .
C25 C 1.1242(2) 0.51039(18) 0.34413(19) 0.0238(7) Uani 1 1 d . . . . .
H25 H 1.1286 0.4546 0.3457 0.029 Uiso 1 1 calc R U . . .
C26 C 1.0350(2) 0.54286(17) 0.31607(17) 0.0193(7) Uani 1 1 d . . . . .
H26 H 0.9784 0.5088 0.2992 0.023 Uiso 1 1 calc R U . . .
C31 C 0.47284(19) 0.87879(16) 0.31376(15) 0.0122(6) Uani 1 1 d . . . . .
C32 C 0.4641(2) 0.96039(17) 0.31910(17) 0.0170(6) Uani 1 1 d . . . . .
H32 H 0.5194 0.9948 0.3026 0.020 Uiso 1 1 calc R U . . .
C33 C 0.3766(2) 0.99268(19) 0.34800(18) 0.0230(7) Uani 1 1 d . . . . .
H33 H 0.3728 1.0484 0.3520 0.028 Uiso 1 1 calc R U . . .
C34 C 0.2949(2) 0.94246(19) 0.37093(18) 0.0222(7) Uani 1 1 d . . . . .
H34 H 0.2338 0.9639 0.3892 0.027 Uiso 1 1 calc R U . . .
C35 C 0.3021(2) 0.86123(18) 0.36726(17) 0.0203(7) Uani 1 1 d . . . . .
H35 H 0.2473 0.8271 0.3848 0.024 Uiso 1 1 calc R U . . .
C36 C 0.38946(19) 0.82962(17) 0.33801(16) 0.0149(6) Uani 1 1 d . . . . .
H36 H 0.3929 0.7738 0.3343 0.018 Uiso 1 1 calc R U . . .
C41 C 0.4607(2) 0.61371(17) 0.19485(15) 0.0138(6) Uani 1 1 d . . . . .
C42 C 0.3672(2) 0.6513(2) 0.20363(19) 0.0255(7) Uani 1 1 d . . . . .
H42 H 0.3689 0.7022 0.2253 0.031 Uiso 1 1 calc R U . . .
C43 C 0.2717(2) 0.6157(2) 0.18139(19) 0.0330(9) Uani 1 1 d . . . . .
H43 H 0.2090 0.6419 0.1882 0.040 Uiso 1 1 calc R U . . .
C44 C 0.2692(2) 0.5419(2) 0.14933(19) 0.0303(8) Uani 1 1 d . . . . .
H44 H 0.2043 0.5171 0.1342 0.036 Uiso 1 1 calc R U . . .
C45 C 0.3604(2) 0.50393(19) 0.13911(19) 0.0284(8) Uani 1 1 d . . . . .
H45 H 0.3579 0.4532 0.1169 0.034 Uiso 1 1 calc R U . . .
C46 C 0.4556(2) 0.53957(18) 0.16124(18) 0.0216(7) Uani 1 1 d . . . . .
H46 H 0.5180 0.5133 0.1534 0.026 Uiso 1 1 calc R U . . .
C51 C 0.75158(19) 0.99475(17) 0.11892(16) 0.0134(6) Uani 1 1 d . . . . .
C52 C 0.7851(2) 1.01309(19) 0.04963(18) 0.0225(7) Uani 1 1 d . . . . .
H52 H 0.7833 0.9727 0.0140 0.027 Uiso 1 1 calc R U . . .
C53 C 0.8210(2) 1.08928(19) 0.03190(19) 0.0256(7) Uani 1 1 d . . . . .
H53 H 0.8435 1.1008 -0.0155 0.031 Uiso 1 1 calc R U . . .
C54 C 0.8239(2) 1.14848(18) 0.08396(19) 0.0247(7) Uani 1 1 d . . . . .
H54 H 0.8491 1.2005 0.0721 0.030 Uiso 1 1 calc R U . . .
C55 C 0.7906(2) 1.13246(19) 0.15246(19) 0.0260(7) Uani 1 1 d . . . . .
H55 H 0.7928 1.1732 0.1878 0.031 Uiso 1 1 calc R U . . .
C56 C 0.7535(2) 1.05587(17) 0.16979(17) 0.0199(7) Uani 1 1 d . . . . .
H56 H 0.7292 1.0452 0.2169 0.024 Uiso 1 1 calc R U . . .
C61 C 0.75692(19) 0.99304(17) 0.38863(16) 0.0135(6) Uani 1 1 d . . . . .
C62 C 0.8112(2) 1.05791(17) 0.35775(17) 0.0191(6) Uani 1 1 d . . . . .
H62 H 0.8665 1.0492 0.3260 0.023 Uiso 1 1 calc R U . . .
C63 C 0.7854(2) 1.13500(19) 0.37285(19) 0.0241(7) Uani 1 1 d . . . . .
H63 H 0.8231 1.1784 0.3515 0.029 Uiso 1 1 calc R U . . .
C64 C 0.7043(2) 1.14844(18) 0.41919(19) 0.0255(7) Uani 1 1 d . . . . .
H64 H 0.6860 1.2010 0.4292 0.031 Uiso 1 1 calc R U . . .
C65 C 0.6504(2) 1.08513(18) 0.45069(18) 0.0225(7) Uani 1 1 d . . . . .
H65 H 0.5951 1.0943 0.4824 0.027 Uiso 1 1 calc R U . . .
C66 C 0.6767(2) 1.00819(18) 0.43616(18) 0.0199(7) Uani 1 1 d . . . . .
H66 H 0.6398 0.9652 0.4587 0.024 Uiso 1 1 calc R U . . .
C71 C 0.7501(2) 0.51559(17) 0.38381(16) 0.0159(6) Uani 1 1 d . . . . .
C72 C 0.8246(2) 0.50161(19) 0.43701(17) 0.0217(7) Uani 1 1 d . . . . .
H72 H 0.8554 0.5452 0.4635 0.026 Uiso 1 1 calc R U . . .
C73 C 0.8551(2) 0.42623(19) 0.45266(19) 0.0250(7) Uani 1 1 d . . . . .
H73 H 0.9066 0.4185 0.4889 0.030 Uiso 1 1 calc R U . . .
C74 C 0.8095(2) 0.36233(19) 0.41484(19) 0.0253(7) Uani 1 1 d . . . . .
H74 H 0.8296 0.3104 0.4255 0.030 Uiso 1 1 calc R U . . .
C75 C 0.7355(2) 0.37334(19) 0.3621(2) 0.0261(7) Uani 1 1 d . . . . .
H75 H 0.7044 0.3293 0.3364 0.031 Uiso 1 1 calc R U . . .
C76 C 0.7063(2) 0.44979(17) 0.34652(18) 0.0200(7) Uani 1 1 d . . . . .
H76 H 0.6555 0.4572 0.3097 0.024 Uiso 1 1 calc R U . . .
C81 C 0.7518(2) 0.50861(17) 0.11634(17) 0.0157(6) Uani 1 1 d . . . . .
C82 C 0.7030(2) 0.48735(19) 0.05082(18) 0.0237(7) Uani 1 1 d . . . . .
H82 H 0.6866 0.5274 0.0175 0.028 Uiso 1 1 calc R U . . .
C83 C 0.6781(2) 0.4084(2) 0.0336(2) 0.0283(8) Uani 1 1 d . . . . .
H83 H 0.6440 0.3950 -0.0109 0.034 Uiso 1 1 calc R U . . .
C84 C 0.7025(2) 0.34953(19) 0.0809(2) 0.0251(7) Uani 1 1 d . . . . .
H84 H 0.6856 0.2957 0.0691 0.030 Uiso 1 1 calc R U . . .
C85 C 0.7519(2) 0.36903(18) 0.1458(2) 0.0265(7) Uani 1 1 d . . . . .
H85 H 0.7690 0.3285 0.1784 0.032 Uiso 1 1 calc R U . . .
C86 C 0.7765(2) 0.44806(18) 0.16328(18) 0.0226(7) Uani 1 1 d . . . . .
H86 H 0.8107 0.4609 0.2079 0.027 Uiso 1 1 calc R U . . .
C91 C 0.5793(2) 0.70807(18) 0.00079(19) 0.0261(7) Uani 1 1 d . . . . .
H91A H 0.5213 0.6905 -0.0314 0.039 Uiso 1 1 calc R U . . .
H91B H 0.6455 0.7018 -0.0234 0.039 Uiso 1 1 calc R U . . .
H91C H 0.5774 0.6761 0.0446 0.039 Uiso 1 1 calc R U . . .
C92 C 0.4434(2) 0.8296(2) 0.0708(2) 0.0346(9) Uani 1 1 d . . . . .
H92A H 0.3844 0.8131 0.0390 0.052 Uiso 1 1 calc R U . . .
H92B H 0.4403 0.7984 0.1150 0.052 Uiso 1 1 calc R U . . .
H92C H 0.4399 0.8858 0.0828 0.052 Uiso 1 1 calc R U . . .
C93 C 0.5773(2) 0.87511(18) -0.05842(16) 0.0197(6) Uani 1 1 d . . . . .
H93A H 0.5594 0.9298 -0.0466 0.024 Uiso 1 1 calc R U . . .
H93B H 0.6503 0.8773 -0.0748 0.024 Uiso 1 1 calc R U . . .
C94 C 0.5050(2) 0.84324(18) -0.12039(16) 0.0226(7) Uani 1 1 d . . . . .
H94A H 0.5235 0.7890 -0.1331 0.027 Uiso 1 1 calc R U . . .
H94B H 0.4319 0.8405 -0.1042 0.027 Uiso 1 1 calc R U . . .
C95 C 0.5138(2) 0.89503(19) -0.18591(16) 0.0240(7) Uani 1 1 d . . . . .
H95A H 0.5882 0.9034 -0.1984 0.036 Uiso 1 1 calc R U . . .
H95B H 0.4867 0.9473 -0.1750 0.036 Uiso 1 1 calc R U . . .
Cl9 Cl 0.44189(6) 0.85109(4) -0.26161(4) 0.02614(17) Uani 1 1 d . . . . .
C101 C 0.4665(2) 0.6188(2) 0.4613(2) 0.0303(8) Uani 1 1 d . . . . .
H10A H 0.4112 0.6255 0.4961 0.046 Uiso 1 1 calc R U . . .
H10B H 0.4446 0.6389 0.4144 0.046 Uiso 1 1 calc R U . . .
H10C H 0.4797 0.5625 0.4569 0.046 Uiso 1 1 calc R U . . .
C102 C 0.5685(2) 0.78212(18) 0.50170(17) 0.0210(7) Uani 1 1 d . . . . .
H10D H 0.5143 0.7903 0.5369 0.031 Uiso 1 1 calc R U . . .
H10E H 0.6339 0.8097 0.5179 0.031 Uiso 1 1 calc R U . . .
H10F H 0.5471 0.8031 0.4550 0.031 Uiso 1 1 calc R U . . .
C103 C 0.6330(2) 0.63421(17) 0.58078(16) 0.0191(6) Uani 1 1 d . . . . .
H10G H 0.6315 0.5758 0.5775 0.023 Uiso 1 1 calc R U . . .
H10H H 0.7061 0.6535 0.5905 0.023 Uiso 1 1 calc R U . . .
C104 C 0.5654(2) 0.65819(18) 0.64344(16) 0.0221(6) Uani 1 1 d . . . . .
H10I H 0.5760 0.7159 0.6517 0.026 Uiso 1 1 calc R U . . .
H10J H 0.4911 0.6468 0.6302 0.026 Uiso 1 1 calc R U . . .
C105 C 0.5897(3) 0.61583(19) 0.71196(18) 0.0305(8) Uani 1 1 d . . . . .
H10K H 0.6636 0.6278 0.7263 0.037 Uiso 1 1 calc R U . . .
H10L H 0.5795 0.5580 0.7043 0.037 Uiso 1 1 calc R U . . .
Cl10 Cl 0.50624(7) 0.64634(5) 0.78235(5) 0.0363(2) Uani 1 1 d . . . . .
C111 C 0.9395(2) 0.72260(17) 0.50150(18) 0.0218(7) Uani 1 1 d . . . . .
H11A H 0.9990 0.7126 0.5333 0.033 Uiso 1 1 calc R U . . .
H11B H 0.8758 0.6974 0.5213 0.033 Uiso 1 1 calc R U . . .
H11C H 0.9512 0.7007 0.4537 0.033 Uiso 1 1 calc R U . . .
C112 C 1.0425(2) 0.8830(2) 0.45688(18) 0.0251(7) Uani 1 1 d . . . . .
H11D H 1.1032 0.8746 0.4880 0.038 Uiso 1 1 calc R U . . .
H11E H 1.0548 0.8624 0.4086 0.038 Uiso 1 1 calc R U . . .
H11F H 1.0315 0.9398 0.4541 0.038 Uiso 1 1 calc R U . . .
C113 C 0.9030(2) 0.87151(19) 0.58632(18) 0.0223(7) Uani 1 1 d . . . . .
H11G H 0.9715 0.8786 0.6114 0.027 Uiso 1 1 calc R U . . .
H11H H 0.8754 0.9247 0.5806 0.027 Uiso 1 1 calc R U . . .
C114 C 0.8297(2) 0.82347(19) 0.63490(16) 0.0225(6) Uani 1 1 d . . . . .
H11I H 0.7572 0.8256 0.6163 0.027 Uiso 1 1 calc R U . . .
H11J H 0.8483 0.7675 0.6346 0.027 Uiso 1 1 calc R U . . .
C115 C 0.8364(2) 0.85528(19) 0.71124(17) 0.0252(7) Uani 1 1 d . . . . .
H11K H 0.8161 0.9109 0.7116 0.030 Uiso 1 1 calc R U . . .
H11L H 0.9093 0.8544 0.7294 0.030 Uiso 1 1 calc R U . . .
Cl11 Cl 0.75187(6) 0.79690(5) 0.76994(5) 0.0386(2) Uani 1 1 d . . . . .
C121 C 1.0427(2) 0.6746(2) 0.0612(2) 0.0349(9) Uani 1 1 d . . . . .
H12A H 1.0988 0.6935 0.0295 0.052 Uiso 1 1 calc R U . . .
H12B H 1.0510 0.7015 0.1079 0.052 Uiso 1 1 calc R U . . .
H12C H 1.0460 0.6174 0.0679 0.052 Uiso 1 1 calc R U . . .
C122 C 0.9050(2) 0.80431(18) 0.00554(19) 0.0257(7) Uani 1 1 d . . . . .
H12D H 0.9607 0.8235 -0.0263 0.039 Uiso 1 1 calc R U . . .
H12E H 0.8371 0.8142 -0.0165 0.039 Uiso 1 1 calc R U . . .
H12F H 0.9123 0.8321 0.0518 0.039 Uiso 1 1 calc R U . . .
C123 C 0.8933(2) 0.64368(19) -0.06794(17) 0.0247(7) Uani 1 1 d . . . . .
H12G H 0.9083 0.5874 -0.0614 0.030 Uiso 1 1 calc R U . . .
H12H H 0.8190 0.6457 -0.0825 0.030 Uiso 1 1 calc R U . . .
C124 C 0.9609(2) 0.67804(19) -0.12859(17) 0.0254(7) Uani 1 1 d . . . . .
H12I H 0.9463 0.7343 -0.1355 0.030 Uiso 1 1 calc R U . . .
H12J H 1.0355 0.6755 -0.1147 0.030 Uiso 1 1 calc R U . . .
C125 C 0.9404(3) 0.6336(2) -0.19872(18) 0.0313(8) Uani 1 1 d . . . . .
H12K H 0.8654 0.6345 -0.2118 0.038 Uiso 1 1 calc R U . . .
H12L H 0.9576 0.5777 -0.1923 0.038 Uiso 1 1 calc R U . . .
Cl12 Cl 1.01663(6) 0.67636(5) -0.27057(5) 0.03394(19) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O2 1.6160(19) . ?
Si1 O9 1.6228(19) . ?
Si1 O6 1.624(2) . ?
Si1 C11 1.851(3) . ?
Si2 O2 1.6175(19) . ?
Si2 O5 1.6212(19) . ?
Si2 O7 1.623(2) . ?
Si2 C21 1.855(3) . ?
Si3 O1 1.614(2) . ?
Si3 O3 1.616(2) . ?
Si3 O4 1.626(2) . ?
Si3 C31 1.846(3) . ?
Si4 O1 1.6131(19) . ?
Si4 O8 1.616(2) . ?
Si4 O10 1.626(2) . ?
Si4 C41 1.851(3) . ?
Si5 O11 1.606(2) . ?
Si5 O9 1.6314(19) . ?
Si5 O4 1.631(2) . ?
Si5 C51 1.855(3) . ?
Si6 O13 1.612(2) . ?
Si6 O6 1.623(2) . ?
Si6 O3 1.6297(19) . ?
Si6 C61 1.857(3) . ?
Si7 O12 1.607(2) . ?
Si7 O10 1.627(2) . ?
Si7 O5 1.6298(19) . ?
Si7 C71 1.852(3) . ?
Si8 O14 1.605(2) . ?
Si8 O7 1.626(2) . ?
Si8 O8 1.630(2) . ?
Si8 C81 1.855(3) . ?
Si9 O11 1.6460(19) . ?
Si9 C91 1.852(3) . ?
Si9 C92 1.858(3) . ?
Si9 C93 1.871(3) . ?
Si10 O12 1.638(2) . ?
Si10 C102 1.857(3) . ?
Si10 C101 1.866(3) . ?
Si10 C103 1.871(3) . ?
Si11 O13 1.6430(19) . ?
Si11 C111 1.854(3) . ?
Si11 C112 1.858(3) . ?
Si11 C113 1.871(3) . ?
Si12 O14 1.645(2) . ?
Si12 C122 1.859(3) . ?
Si12 C121 1.860(3) . ?
Si12 C123 1.866(3) . ?
C11 C16 1.395(4) . ?
C11 C12 1.400(4) . ?
C12 C13 1.399(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.370(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.374(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.391(4) . ?
C21 C22 1.408(4) . ?
C22 C23 1.383(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C32 1.395(4) . ?
C31 C36 1.403(4) . ?
C32 C33 1.392(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.398(4) . ?
C41 C42 1.401(4) . ?
C42 C43 1.391(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.380(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.382(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C56 1.398(4) . ?
C51 C52 1.398(4) . ?
C52 C53 1.390(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.389(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.376(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.399(4) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C62 1.400(4) . ?
C61 C66 1.404(4) . ?
C62 C63 1.393(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.392(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.383(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.390(4) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.393(4) . ?
C71 C76 1.397(4) . ?
C72 C73 1.386(4) . ?
C72 H72 0.9500 . ?
C73 C74 1.385(5) . ?
C73 H73 0.9500 . ?
C74 C75 1.374(5) . ?
C74 H74 0.9500 . ?
C75 C76 1.397(4) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C82 1.397(4) . ?
C81 C86 1.396(4) . ?
C82 C83 1.393(4) . ?
C82 H82 0.9500 . ?
C83 C84 1.378(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.382(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.394(4) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.544(4) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.507(4) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 Cl9 1.805(3) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.533(4) . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?
C104 C105 1.502(4) . ?
C104 H10I 0.9900 . ?
C104 H10J 0.9900 . ?
C105 Cl10 1.800(3) . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C113 C114 1.524(4) . ?
C113 H11G 0.9900 . ?
C113 H11H 0.9900 . ?
C114 C115 1.516(4) . ?
C114 H11I 0.9900 . ?
C114 H11J 0.9900 . ?
C115 Cl11 1.813(3) . ?
C115 H11K 0.9900 . ?
C115 H11L 0.9900 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C123 C124 1.534(4) . ?
C123 H12G 0.9900 . ?
C123 H12H 0.9900 . ?
C124 C125 1.515(4) . ?
C124 H12I 0.9900 . ?
C124 H12J 0.9900 . ?
C125 Cl12 1.803(3) . ?
C125 H12K 0.9900 . ?
C125 H12L 0.9900 . ?

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
O2 Si1 O9 109.36(10) . . ?
O2 Si1 O6 109.38(11) . . ?
O9 Si1 O6 109.30(10) . . ?
O2 Si1 C11 107.29(11) . . ?
O9 Si1 C11 111.50(12) . . ?
O6 Si1 C11 109.97(11) . . ?
O2 Si2 O5 108.37(10) . . ?
O2 Si2 O7 110.50(11) . . ?
O5 Si2 O7 109.19(10) . . ?
O2 Si2 C21 108.45(11) . . ?
O5 Si2 C21 111.74(12) . . ?
O7 Si2 C21 108.60(12) . . ?
O1 Si3 O3 108.68(10) . . ?
O1 Si3 O4 109.99(11) . . ?
O3 Si3 O4 109.12(10) . . ?
O1 Si3 C31 109.85(11) . . ?
O3 Si3 C31 110.52(11) . . ?
O4 Si3 C31 108.68(11) . . ?
O1 Si4 O8 110.25(11) . . ?
O1 Si4 O10 109.01(11) . . ?
O8 Si4 O10 108.86(10) . . ?
O1 Si4 C41 107.56(11) . . ?
O8 Si4 C41 110.89(12) . . ?
O10 Si4 C41 110.25(11) . . ?
O11 Si5 O9 108.05(11) . . ?
O11 Si5 O4 111.56(10) . . ?
O9 Si5 O4 107.88(10) . . ?
O11 Si5 C51 111.05(12) . . ?
O9 Si5 C51 110.09(10) . . ?
O4 Si5 C51 108.16(12) . . ?
O13 Si6 O6 111.62(10) . . ?
O13 Si6 O3 107.47(10) . . ?
O6 Si6 O3 109.18(10) . . ?
O13 Si6 C61 110.43(12) . . ?
O6 Si6 C61 107.83(12) . . ?
O3 Si6 C61 110.32(11) . . ?
O12 Si7 O10 111.17(10) . . ?
O12 Si7 O5 106.63(10) . . ?
O10 Si7 O5 109.40(10) . . ?
O12 Si7 C71 110.78(12) . . ?
O10 Si7 C71 108.31(12) . . ?
O5 Si7 C71 110.55(11) . . ?
O14 Si8 O7 110.93(10) . . ?
O14 Si8 O8 107.21(11) . . ?
O7 Si8 O8 109.14(11) . . ?
O14 Si8 C81 111.30(13) . . ?
O7 Si8 C81 107.19(12) . . ?
O8 Si8 C81 111.10(11) . . ?
O11 Si9 C91 108.43(12) . . ?
O11 Si9 C92 108.91(14) . . ?
C91 Si9 C92 111.70(16) . . ?
O11 Si9 C93 107.85(12) . . ?
C91 Si9 C93 109.56(15) . . ?
C92 Si9 C93 110.29(15) . . ?
O12 Si10 C102 108.66(12) . . ?
O12 Si10 C101 108.47(14) . . ?
C102 Si10 C101 111.62(15) . . ?
O12 Si10 C103 108.24(11) . . ?
C102 Si10 C103 110.06(14) . . ?
C101 Si10 C103 109.72(15) . . ?
O13 Si11 C111 108.63(12) . . ?
O13 Si11 C112 108.21(13) . . ?
C111 Si11 C112 112.25(14) . . ?
O13 Si11 C113 110.20(12) . . ?
C111 Si11 C113 108.88(15) . . ?
C112 Si11 C113 108.66(14) . . ?
O14 Si12 C122 109.19(12) . . ?
O14 Si12 C121 109.20(14) . . ?
C122 Si12 C121 110.94(16) . . ?
O14 Si12 C123 107.39(12) . . ?
C122 Si12 C123 109.02(15) . . ?
C121 Si12 C123 111.02(16) . . ?
Si4 O1 Si3 159.93(12) . . ?
Si1 O2 Si2 153.02(12) . . ?
Si3 O3 Si6 143.18(13) . . ?
Si3 O4 Si5 137.55(13) . . ?
Si2 O5 Si7 142.73(13) . . ?
Si6 O6 Si1 143.58(12) . . ?
Si2 O7 Si8 141.94(13) . . ?
Si4 O8 Si8 149.09(14) . . ?
Si1 O9 Si5 147.17(14) . . ?
Si4 O10 Si7 141.21(12) . . ?
Si5 O11 Si9 151.35(13) . . ?
Si7 O12 Si10 148.33(13) . . ?
Si6 O13 Si11 145.11(12) . . ?
Si8 O14 Si12 151.30(13) . . ?
C16 C11 C12 117.3(2) . . ?
C16 C11 Si1 122.5(2) . . ?
C12 C11 Si1 120.2(2) . . ?
C13 C12 C11 121.0(3) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C11 121.5(3) . . ?
C15 C16 H16 119.2 . . ?
C11 C16 H16 119.2 . . ?
C26 C21 C22 117.9(2) . . ?
C26 C21 Si2 121.3(2) . . ?
C22 C21 Si2 120.7(2) . . ?
C23 C22 C21 120.9(3) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 119.7(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 121.0(3) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C32 C31 C36 117.7(2) . . ?
C32 C31 Si3 119.67(19) . . ?
C36 C31 Si3 122.6(2) . . ?
C31 C32 C33 121.7(3) . . ?
C31 C32 H32 119.1 . . ?
C33 C32 H32 119.1 . . ?
C34 C33 C32 119.2(3) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 120.3(3) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 121.0(3) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C46 C41 C42 117.8(2) . . ?
C46 C41 Si4 120.9(2) . . ?
C42 C41 Si4 121.3(2) . . ?
C43 C42 C41 121.6(3) . . ?
C43 C42 H42 119.2 . . ?
C41 C42 H42 119.2 . . ?
C44 C43 C42 119.2(3) . . ?
C44 C43 H43 120.4 . . ?
C42 C43 H43 120.4 . . ?
C45 C44 C43 120.5(3) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 120.7(3) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
C56 C51 C52 117.9(3) . . ?
C56 C51 Si5 120.1(2) . . ?
C52 C51 Si5 121.9(2) . . ?
C53 C52 C51 121.3(3) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C54 C53 C52 119.5(3) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C55 C54 C53 120.6(3) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C54 C55 C56 119.6(3) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C55 C56 C51 121.0(3) . . ?
C55 C56 H56 119.5 . . ?
C51 C56 H56 119.5 . . ?
C62 C61 C66 117.9(3) . . ?
C62 C61 Si6 122.6(2) . . ?
C66 C61 Si6 119.5(2) . . ?
C63 C62 C61 121.1(3) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C62 C63 C64 119.9(3) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 C63 119.8(3) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C64 C65 C66 120.3(3) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C65 C66 C61 120.9(3) . . ?
C65 C66 H66 119.5 . . ?
C61 C66 H66 119.5 . . ?
C72 C71 C76 117.0(3) . . ?
C72 C71 Si7 120.4(2) . . ?
C76 C71 Si7 122.5(2) . . ?
C73 C72 C71 122.2(3) . . ?
C73 C72 H72 118.9 . . ?
C71 C72 H72 118.9 . . ?
C74 C73 C72 119.2(3) . . ?
C74 C73 H73 120.4 . . ?
C72 C73 H73 120.4 . . ?
C75 C74 C73 120.6(3) . . ?
C75 C74 H74 119.7 . . ?
C73 C74 H74 119.7 . . ?
C74 C75 C76 119.5(3) . . ?
C74 C75 H75 120.2 . . ?
C76 C75 H75 120.2 . . ?
C71 C76 C75 121.5(3) . . ?
C71 C76 H76 119.3 . . ?
C75 C76 H76 119.3 . . ?
C82 C81 C86 117.8(3) . . ?
C82 C81 Si8 121.1(2) . . ?
C86 C81 Si8 121.1(2) . . ?
C83 C82 C81 121.0(3) . . ?
C83 C82 H82 119.5 . . ?
C81 C82 H82 119.5 . . ?
C84 C83 C82 120.2(3) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C83 C84 C85 119.8(3) . . ?
C83 C84 H84 120.1 . . ?
C85 C84 H84 120.1 . . ?
C84 C85 C86 120.1(3) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C85 C86 C81 121.0(3) . . ?
C85 C86 H86 119.5 . . ?
C81 C86 H86 119.5 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
Si9 C92 H92A 109.5 . . ?
Si9 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
Si9 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 Si9 113.2(2) . . ?
C94 C93 H93A 108.9 . . ?
Si9 C93 H93A 108.9 . . ?
C94 C93 H93B 108.9 . . ?
Si9 C93 H93B 108.9 . . ?
H93A C93 H93B 107.8 . . ?
C95 C94 C93 111.6(2) . . ?
C95 C94 H94A 109.3 . . ?
C93 C94 H94A 109.3 . . ?
C95 C94 H94B 109.3 . . ?
C93 C94 H94B 109.3 . . ?
H94A C94 H94B 108.0 . . ?
C94 C95 Cl9 111.4(2) . . ?
C94 C95 H95A 109.4 . . ?
Cl9 C95 H95A 109.4 . . ?
C94 C95 H95B 109.4 . . ?
Cl9 C95 H95B 109.4 . . ?
H95A C95 H95B 108.0 . . ?
Si10 C101 H10A 109.5 . . ?
Si10 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
Si10 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
Si10 C102 H10D 109.5 . . ?
Si10 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
Si10 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 Si10 112.58(19) . . ?
C104 C103 H10G 109.1 . . ?
Si10 C103 H10G 109.1 . . ?
C104 C103 H10H 109.1 . . ?
Si10 C103 H10H 109.1 . . ?
H10G C103 H10H 107.8 . . ?
C105 C104 C103 113.0(2) . . ?
C105 C104 H10I 109.0 . . ?
C103 C104 H10I 109.0 . . ?
C105 C104 H10J 109.0 . . ?
C103 C104 H10J 109.0 . . ?
H10I C104 H10J 107.8 . . ?
C104 C105 Cl10 110.2(2) . . ?
C104 C105 H10K 109.6 . . ?
Cl10 C105 H10K 109.6 . . ?
C104 C105 H10L 109.6 . . ?
Cl10 C105 H10L 109.6 . . ?
H10K C105 H10L 108.1 . . ?
Si11 C111 H11A 109.5 . . ?
Si11 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
Si11 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
Si11 C112 H11D 109.5 . . ?
Si11 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
Si11 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C114 C113 Si11 117.4(2) . . ?
C114 C113 H11G 108.0 . . ?
Si11 C113 H11G 108.0 . . ?
C114 C113 H11H 108.0 . . ?
Si11 C113 H11H 108.0 . . ?
H11G C113 H11H 107.2 . . ?
C115 C114 C113 110.8(2) . . ?
C115 C114 H11I 109.5 . . ?
C113 C114 H11I 109.5 . . ?
C115 C114 H11J 109.5 . . ?
C113 C114 H11J 109.5 . . ?
H11I C114 H11J 108.1 . . ?
C114 C115 Cl11 111.1(2) . . ?
C114 C115 H11K 109.4 . . ?
Cl11 C115 H11K 109.4 . . ?
C114 C115 H11L 109.4 . . ?
Cl11 C115 H11L 109.4 . . ?
H11K C115 H11L 108.0 . . ?
Si12 C121 H12A 109.5 . . ?
Si12 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
Si12 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
Si12 C122 H12D 109.5 . . ?
Si12 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
Si12 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C124 C123 Si12 113.9(2) . . ?
C124 C123 H12G 108.8 . . ?
Si12 C123 H12G 108.8 . . ?
C124 C123 H12H 108.8 . . ?
Si12 C123 H12H 108.8 . . ?
H12G C123 H12H 107.7 . . ?
C125 C124 C123 111.8(2) . . ?
C125 C124 H12I 109.2 . . ?
C123 C124 H12I 109.2 . . ?
C125 C124 H12J 109.2 . . ?
C123 C124 H12J 109.2 . . ?
H12I C124 H12J 107.9 . . ?
C124 C125 Cl12 111.7(2) . . ?
C124 C125 H12K 109.3 . . ?
Cl12 C125 H12K 109.3 . . ?
C124 C125 H12L 109.3 . . ?
Cl12 C125 H12L 109.3 . . ?
H12K C125 H12L 107.9 . . ?

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
O8 Si4 O1 Si3 -61.1(5) . . . . ?
O10 Si4 O1 Si3 58.3(5) . . . . ?
C41 Si4 O1 Si3 177.9(4) . . . . ?
O3 Si3 O1 Si4 -28.3(5) . . . . ?
O4 Si3 O1 Si4 91.1(4) . . . . ?
C31 Si3 O1 Si4 -149.3(4) . . . . ?
O9 Si1 O2 Si2 -52.8(3) . . . . ?
O6 Si1 O2 Si2 66.9(3) . . . . ?
C11 Si1 O2 Si2 -173.9(3) . . . . ?
O5 Si2 O2 Si1 -34.7(4) . . . . ?
O7 Si2 O2 Si1 84.9(3) . . . . ?
C21 Si2 O2 Si1 -156.1(3) . . . . ?
O1 Si3 O3 Si6 141.3(2) . . . . ?
O4 Si3 O3 Si6 21.4(2) . . . . ?
C31 Si3 O3 Si6 -98.1(2) . . . . ?
O13 Si6 O3 Si3 174.4(2) . . . . ?
O6 Si6 O3 Si3 -64.3(2) . . . . ?
C61 Si6 O3 Si3 54.0(2) . . . . ?
O1 Si3 O4 Si5 -46.6(2) . . . . ?
O3 Si3 O4 Si5 72.5(2) . . . . ?
C31 Si3 O4 Si5 -166.87(18) . . . . ?
O11 Si5 O4 Si3 81.5(2) . . . . ?
O9 Si5 O4 Si3 -37.0(2) . . . . ?
C51 Si5 O4 Si3 -156.06(18) . . . . ?
O2 Si2 O5 Si7 149.5(2) . . . . ?
O7 Si2 O5 Si7 29.1(2) . . . . ?
C21 Si2 O5 Si7 -91.1(2) . . . . ?
O12 Si7 O5 Si2 171.5(2) . . . . ?
O10 Si7 O5 Si2 -68.2(2) . . . . ?
C71 Si7 O5 Si2 51.0(3) . . . . ?
O13 Si6 O6 Si1 101.1(2) . . . . ?
O3 Si6 O6 Si1 -17.6(3) . . . . ?
C61 Si6 O6 Si1 -137.4(2) . . . . ?
O2 Si1 O6 Si6 -65.4(2) . . . . ?
O9 Si1 O6 Si6 54.3(2) . . . . ?
C11 Si1 O6 Si6 177.0(2) . . . . ?
O2 Si2 O7 Si8 -56.2(2) . . . . ?
O5 Si2 O7 Si8 62.9(2) . . . . ?
C21 Si2 O7 Si8 -175.0(2) . . . . ?
O14 Si8 O7 Si2 86.7(2) . . . . ?
O8 Si8 O7 Si2 -31.2(2) . . . . ?
C81 Si8 O7 Si2 -151.6(2) . . . . ?
O1 Si4 O8 Si8 135.3(2) . . . . ?
O10 Si4 O8 Si8 15.8(3) . . . . ?
C41 Si4 O8 Si8 -105.7(3) . . . . ?
O14 Si8 O8 Si4 -172.2(2) . . . . ?
O7 Si8 O8 Si4 -52.0(3) . . . . ?
C81 Si8 O8 Si4 66.0(3) . . . . ?
O2 Si1 O9 Si5 148.7(2) . . . . ?
O6 Si1 O9 Si5 29.0(3) . . . . ?
C11 Si1 O9 Si5 -92.8(2) . . . . ?
O11 Si5 O9 Si1 -179.8(2) . . . . ?
O4 Si5 O9 Si1 -59.0(3) . . . . ?
C51 Si5 O9 Si1 58.8(3) . . . . ?
O1 Si4 O10 Si7 -58.4(2) . . . . ?
O8 Si4 O10 Si7 61.9(2) . . . . ?
C41 Si4 O10 Si7 -176.3(2) . . . . ?
O12 Si7 O10 Si4 97.3(2) . . . . ?
O5 Si7 O10 Si4 -20.2(2) . . . . ?
C71 Si7 O10 Si4 -140.8(2) . . . . ?
O9 Si5 O11 Si9 156.3(3) . . . . ?
O4 Si5 O11 Si9 37.9(3) . . . . ?
C51 Si5 O11 Si9 -82.9(3) . . . . ?
C91 Si9 O11 Si5 -144.0(3) . . . . ?
C92 Si9 O11 Si5 -22.2(3) . . . . ?
C93 Si9 O11 Si5 97.4(3) . . . . ?
O10 Si7 O12 Si10 44.5(3) . . . . ?
O5 Si7 O12 Si10 163.7(2) . . . . ?
C71 Si7 O12 Si10 -75.9(3) . . . . ?
C102 Si10 O12 Si7 -129.7(3) . . . . ?
C101 Si10 O12 Si7 -8.2(3) . . . . ?
C103 Si10 O12 Si7 110.8(3) . . . . ?
O6 Si6 O13 Si11 35.0(3) . . . . ?
O3 Si6 O13 Si11 154.7(2) . . . . ?
C61 Si6 O13 Si11 -85.0(3) . . . . ?
C111 Si11 O13 Si6 -122.8(2) . . . . ?
C112 Si11 O13 Si6 -0.7(3) . . . . ?
C113 Si11 O13 Si6 118.0(2) . . . . ?
O7 Si8 O14 Si12 35.7(3) . . . . ?
O8 Si8 O14 Si12 154.8(3) . . . . ?
C81 Si8 O14 Si12 -83.5(3) . . . . ?
C122 Si12 O14 Si8 -134.2(3) . . . . ?
C121 Si12 O14 Si8 -12.7(3) . . . . ?
C123 Si12 O14 Si8 107.8(3) . . . . ?
O2 Si1 C11 C16 167.5(2) . . . . ?
O9 Si1 C11 C16 47.8(3) . . . . ?
O6 Si1 C11 C16 -73.6(3) . . . . ?
O2 Si1 C11 C12 -13.5(3) . . . . ?
O9 Si1 C11 C12 -133.2(2) . . . . ?
O6 Si1 C11 C12 105.4(2) . . . . ?
C16 C11 C12 C13 1.0(5) . . . . ?
Si1 C11 C12 C13 -178.1(3) . . . . ?
C11 C12 C13 C14 -0.6(5) . . . . ?
C12 C13 C14 C15 0.2(5) . . . . ?
C13 C14 C15 C16 -0.2(5) . . . . ?
C14 C15 C16 C11 0.6(5) . . . . ?
C12 C11 C16 C15 -1.0(5) . . . . ?
Si1 C11 C16 C15 178.0(2) . . . . ?
O2 Si2 C21 C26 -159.8(2) . . . . ?
O5 Si2 C21 C26 80.8(3) . . . . ?
O7 Si2 C21 C26 -39.7(3) . . . . ?
O2 Si2 C21 C22 21.3(3) . . . . ?
O5 Si2 C21 C22 -98.1(2) . . . . ?
O7 Si2 C21 C22 141.4(2) . . . . ?
C26 C21 C22 C23 1.1(4) . . . . ?
Si2 C21 C22 C23 180.0(2) . . . . ?
C21 C22 C23 C24 -0.7(5) . . . . ?
C22 C23 C24 C25 0.3(5) . . . . ?
C23 C24 C25 C26 -0.4(5) . . . . ?
C24 C25 C26 C21 0.9(5) . . . . ?
C22 C21 C26 C25 -1.2(5) . . . . ?
Si2 C21 C26 C25 179.9(2) . . . . ?
O1 Si3 C31 C32 -158.8(2) . . . . ?
O3 Si3 C31 C32 81.3(2) . . . . ?
O4 Si3 C31 C32 -38.5(3) . . . . ?
O1 Si3 C31 C36 22.2(3) . . . . ?
O3 Si3 C31 C36 -97.7(2) . . . . ?
O4 Si3 C31 C36 142.6(2) . . . . ?
C36 C31 C32 C33 0.6(4) . . . . ?
Si3 C31 C32 C33 -178.4(2) . . . . ?
C31 C32 C33 C34 -1.2(5) . . . . ?
C32 C33 C34 C35 2.2(5) . . . . ?
C33 C34 C35 C36 -2.5(5) . . . . ?
C34 C35 C36 C31 1.9(5) . . . . ?
C32 C31 C36 C35 -0.9(4) . . . . ?
Si3 C31 C36 C35 178.0(2) . . . . ?
O1 Si4 C41 C46 168.4(2) . . . . ?
O8 Si4 C41 C46 47.7(3) . . . . ?
O10 Si4 C41 C46 -72.9(3) . . . . ?
O1 Si4 C41 C42 -13.6(3) . . . . ?
O8 Si4 C41 C42 -134.2(2) . . . . ?
O10 Si4 C41 C42 105.1(3) . . . . ?
C46 C41 C42 C43 1.5(5) . . . . ?
Si4 C41 C42 C43 -176.6(3) . . . . ?
C41 C42 C43 C44 -0.6(5) . . . . ?
C42 C43 C44 C45 -0.3(5) . . . . ?
C43 C44 C45 C46 0.2(5) . . . . ?
C44 C45 C46 C41 0.8(5) . . . . ?
C42 C41 C46 C45 -1.6(5) . . . . ?
Si4 C41 C46 C45 176.5(2) . . . . ?
O11 Si5 C51 C56 153.3(2) . . . . ?
O9 Si5 C51 C56 -87.0(2) . . . . ?
O4 Si5 C51 C56 30.6(2) . . . . ?
O11 Si5 C51 C52 -31.0(3) . . . . ?
O9 Si5 C51 C52 88.7(2) . . . . ?
O4 Si5 C51 C52 -153.7(2) . . . . ?
C56 C51 C52 C53 1.1(4) . . . . ?
Si5 C51 C52 C53 -174.7(2) . . . . ?
C51 C52 C53 C54 0.1(4) . . . . ?
C52 C53 C54 C55 -0.7(5) . . . . ?
C53 C54 C55 C56 0.0(5) . . . . ?
C54 C55 C56 C51 1.3(4) . . . . ?
C52 C51 C56 C55 -1.8(4) . . . . ?
Si5 C51 C56 C55 174.1(2) . . . . ?
O13 Si6 C61 C62 117.9(2) . . . . ?
O6 Si6 C61 C62 -4.3(3) . . . . ?
O3 Si6 C61 C62 -123.5(2) . . . . ?
O13 Si6 C61 C66 -62.2(2) . . . . ?
O6 Si6 C61 C66 175.6(2) . . . . ?
O3 Si6 C61 C66 56.5(3) . . . . ?
C66 C61 C62 C63 -1.0(4) . . . . ?
Si6 C61 C62 C63 179.0(2) . . . . ?
C61 C62 C63 C64 -0.1(4) . . . . ?
C62 C63 C64 C65 0.7(5) . . . . ?
C63 C64 C65 C66 -0.1(5) . . . . ?
C64 C65 C66 C61 -1.0(5) . . . . ?
C62 C61 C66 C65 1.5(4) . . . . ?
Si6 C61 C66 C65 -178.4(2) . . . . ?
O12 Si7 C71 C72 -55.6(2) . . . . ?
O10 Si7 C71 C72 -177.7(2) . . . . ?
O5 Si7 C71 C72 62.4(3) . . . . ?
O12 Si7 C71 C76 126.4(2) . . . . ?
O10 Si7 C71 C76 4.3(3) . . . . ?
O5 Si7 C71 C76 -115.6(2) . . . . ?
C76 C71 C72 C73 0.4(4) . . . . ?
Si7 C71 C72 C73 -177.8(2) . . . . ?
C71 C72 C73 C74 -0.7(5) . . . . ?
C72 C73 C74 C75 0.5(5) . . . . ?
C73 C74 C75 C76 0.1(5) . . . . ?
C72 C71 C76 C75 0.2(4) . . . . ?
Si7 C71 C76 C75 178.3(2) . . . . ?
C74 C75 C76 C71 -0.5(5) . . . . ?
O14 Si8 C81 C82 -40.5(3) . . . . ?
O7 Si8 C81 C82 -162.0(2) . . . . ?
O8 Si8 C81 C82 78.9(3) . . . . ?
O14 Si8 C81 C86 140.9(2) . . . . ?
O7 Si8 C81 C86 19.4(3) . . . . ?
O8 Si8 C81 C86 -99.7(2) . . . . ?
C86 C81 C82 C83 1.3(4) . . . . ?
Si8 C81 C82 C83 -177.4(2) . . . . ?
C81 C82 C83 C84 -0.9(5) . . . . ?
C82 C83 C84 C85 0.1(5) . . . . ?
C83 C84 C85 C86 0.1(5) . . . . ?
C84 C85 C86 C81 0.3(4) . . . . ?
C82 C81 C86 C85 -1.0(4) . . . . ?
Si8 C81 C86 C85 177.6(2) . . . . ?
O11 Si9 C93 C94 167.3(2) . . . . ?
C91 Si9 C93 C94 49.4(2) . . . . ?
C92 Si9 C93 C94 -73.9(3) . . . . ?
Si9 C93 C94 C95 179.2(2) . . . . ?
C93 C94 C95 Cl9 172.8(2) . . . . ?
O12 Si10 C103 C104 167.75(19) . . . . ?
C102 Si10 C103 C104 49.1(2) . . . . ?
C101 Si10 C103 C104 -74.1(2) . . . . ?
Si10 C103 C104 C105 170.8(2) . . . . ?
C103 C104 C105 Cl10 -179.3(2) . . . . ?
O13 Si11 C113 C114 77.4(2) . . . . ?
C111 Si11 C113 C114 -41.6(3) . . . . ?
C112 Si11 C113 C114 -164.1(2) . . . . ?
Si11 C113 C114 C115 168.8(2) . . . . ?
C113 C114 C115 Cl11 -178.5(2) . . . . ?
O14 Si12 C123 C124 168.6(2) . . . . ?
C122 Si12 C123 C124 50.5(3) . . . . ?
C121 Si12 C123 C124 -72.0(3) . . . . ?
Si12 C123 C124 C125 -179.7(2) . . . . ?
C123 C124 C125 Cl12 177.9(2) . . . . ?

_refine_diff_density_max         0.493
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.070

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4a
_database_code_depnum_ccdc_archive 'CCDC 2041827'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H84 O14 Si12'
_chemical_formula_sum            'C68 H84 O14 Si12'
_chemical_formula_weight         1462.43

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   12.8971(3)
_cell_length_b                   18.3850(4)
_cell_length_c                   16.7859(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.586(2)
_cell_angle_gamma                90
_cell_volume                     3978.63(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(1)
_cell_measurement_reflns_used    10063
_cell_measurement_theta_min      2.6050
_cell_measurement_theta_max      75.8940

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    2.316
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.56390
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      130(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5357
_diffrn_reflns_number            19489
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.403
_diffrn_reflns_theta_max         76.386
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8155
_reflns_number_gt                7386
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0245P)²+28.4056P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8155
_refine_ls_number_parameters     429
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0936
_refine_ls_wR_factor_ref         0.2452
_refine_ls_wR_factor_gt          0.2428
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.58964(12) 0.22391(9) 0.15642(9) 0.0283(3) Uani 1 1 d . . . . .
Si2 Si 0.59055(12) 0.26770(9) 0.33806(9) 0.0283(3) Uani 1 1 d . . . . .
Si3 Si 0.78102(12) 0.35936(9) 0.38324(9) 0.0290(3) Uani 1 1 d . . . . .
Si4 Si 0.71925(13) 0.13544(9) 0.39148(10) 0.0310(4) Uani 1 1 d . . . . .
Si5 Si 0.91062(15) 0.49151(9) 0.32977(10) 0.0366(4) Uani 1 1 d . . . . .
Si6 Si 0.57796(14) 0.01143(10) 0.32051(11) 0.0375(4) Uani 1 1 d . . . . .
O1 O 0.6316(3) 0.2964(2) 0.1125(3) 0.0360(10) Uani 1 1 d . . . . .
O2 O 0.5653(3) 0.2421(2) 0.2479(3) 0.0362(9) Uani 1 1 d . . . . .
O3 O 0.6341(3) 0.2003(2) 0.3911(2) 0.0360(10) Uani 1 1 d . . . . .
O4 O 0.6786(3) 0.1624(2) 0.1544(3) 0.0353(9) Uani 1 1 d . . . . .
O5 O 0.6788(3) 0.3301(2) 0.3354(2) 0.0328(9) Uani 1 1 d . . . . .
O6 O 0.8222(3) 0.4289(2) 0.3352(2) 0.0373(10) Uani 1 1 d . . . . .
O7 O 0.6748(4) 0.0650(2) 0.3454(3) 0.0397(10) Uani 1 1 d . . . . .
C11 C 0.4663(5) 0.1942(3) 0.1081(4) 0.0333(13) Uani 1 1 d . . . . .
C12 C 0.3749(5) 0.1955(4) 0.1484(4) 0.0420(15) Uani 1 1 d . . . . .
H12 H 0.3764 0.2094 0.2030 0.050 Uiso 1 1 calc R U . . .
C13 C 0.2809(6) 0.1772(4) 0.1121(6) 0.059(2) Uani 1 1 d . . . . .
H13 H 0.2189 0.1792 0.1412 0.071 Uiso 1 1 calc R U . . .
C14 C 0.2781(6) 0.1561(4) 0.0336(5) 0.059(2) Uani 1 1 d . . . . .
H14 H 0.2140 0.1434 0.0080 0.071 Uiso 1 1 calc R U . . .
C15 C 0.3682(6) 0.1533(5) -0.0076(5) 0.058(2) Uani 1 1 d . . . . .
H15 H 0.3659 0.1386 -0.0619 0.070 Uiso 1 1 calc R U . . .
C16 C 0.4610(6) 0.1714(4) 0.0278(4) 0.0491(18) Uani 1 1 d . . . . .
H16 H 0.5226 0.1686 -0.0018 0.059 Uiso 1 1 calc R U . . .
C21 C 0.4694(5) 0.3017(3) 0.3803(4) 0.0350(13) Uani 1 1 d . . . . .
C22 C 0.3942(5) 0.3352(4) 0.3318(4) 0.0422(15) Uani 1 1 d . . . . .
H22 H 0.4062 0.3398 0.2764 0.051 Uiso 1 1 calc R U . . .
C23 C 0.3036(6) 0.3619(4) 0.3610(5) 0.0524(18) Uani 1 1 d . . . . .
H23 H 0.2528 0.3833 0.3263 0.063 Uiso 1 1 calc R U . . .
C24 C 0.2871(6) 0.3569(5) 0.4435(5) 0.061(2) Uani 1 1 d . . . . .
H24 H 0.2256 0.3760 0.4653 0.073 Uiso 1 1 calc R U . . .
C25 C 0.3602(7) 0.3245(5) 0.4916(5) 0.064(2) Uani 1 1 d . . . . .
H25 H 0.3483 0.3204 0.5471 0.077 Uiso 1 1 calc R U . . .
C26 C 0.4511(6) 0.2974(5) 0.4620(4) 0.0489(18) Uani 1 1 d . . . . .
H26 H 0.5013 0.2758 0.4970 0.059 Uiso 1 1 calc R U . . .
C31 C 0.7487(5) 0.3846(3) 0.4867(3) 0.0325(13) Uani 1 1 d . . . . .
C32 C 0.8025(6) 0.3576(4) 0.5522(4) 0.0429(15) Uani 1 1 d . . . . .
H32 H 0.8585 0.3250 0.5447 0.051 Uiso 1 1 calc R U . . .
C33 C 0.7767(7) 0.3772(5) 0.6288(4) 0.057(2) Uani 1 1 d . . . . .
H33 H 0.8157 0.3588 0.6732 0.069 Uiso 1 1 calc R U . . .
C34 C 0.6952(7) 0.4230(5) 0.6407(4) 0.057(2) Uani 1 1 d . . . . .
H34 H 0.6761 0.4353 0.6933 0.068 Uiso 1 1 calc R U . . .
C35 C 0.6404(7) 0.4515(5) 0.5756(5) 0.060(2) Uani 1 1 d . . . . .
H35 H 0.5849 0.4846 0.5832 0.072 Uiso 1 1 calc R U . . .
C36 C 0.6669(6) 0.4316(4) 0.5003(4) 0.0478(17) Uani 1 1 d . . . . .
H36 H 0.6281 0.4505 0.4561 0.057 Uiso 1 1 calc R U . . .
C41 C 0.7550(5) 0.1144(3) 0.4966(4) 0.0351(13) Uani 1 1 d . . . . .
C42 C 0.7493(6) 0.1685(4) 0.5554(4) 0.0456(16) Uani 1 1 d . . . . .
H42 H 0.7211 0.2147 0.5415 0.055 Uiso 1 1 calc R U . . .
C43 C 0.7835(7) 0.1562(5) 0.6324(4) 0.059(2) Uani 1 1 d . . . . .
H43 H 0.7802 0.1939 0.6709 0.071 Uiso 1 1 calc R U . . .
C44 C 0.8230(6) 0.0882(5) 0.6537(4) 0.058(2) Uani 1 1 d . . . . .
H44 H 0.8459 0.0790 0.7070 0.069 Uiso 1 1 calc R U . . .
C45 C 0.8286(7) 0.0346(5) 0.5970(5) 0.063(2) Uani 1 1 d . . . . .
H45 H 0.8560 -0.0117 0.6111 0.075 Uiso 1 1 calc R U . . .
C46 C 0.7949(6) 0.0475(4) 0.5199(5) 0.0508(18) Uani 1 1 d . . . . .
H46 H 0.7990 0.0096 0.4816 0.061 Uiso 1 1 calc R U . . .
C51 C 1.0267(7) 0.4619(5) 0.3874(6) 0.067(2) Uani 1 1 d . . . . .
H51A H 1.0096 0.4566 0.4436 0.100 Uiso 1 1 calc R U . . .
H51B H 1.0818 0.4982 0.3824 0.100 Uiso 1 1 calc R U . . .
H51C H 1.0505 0.4150 0.3669 0.100 Uiso 1 1 calc R U . . .
C52 C 0.9393(6) 0.5065(4) 0.2245(4) 0.0486(17) Uani 1 1 d . . . . .
H52A H 0.9732 0.4632 0.2032 0.073 Uiso 1 1 calc R U . . .
H52B H 0.9856 0.5485 0.2200 0.073 Uiso 1 1 calc R U . . .
H52C H 0.8746 0.5158 0.1943 0.073 Uiso 1 1 calc R U . . .
C53 C 0.8482(8) 0.5759(4) 0.3720(6) 0.074(3) Uani 1 1 d D U . . .
H53A H 0.7888 0.5897 0.3365 0.089 Uiso 1 1 calc R U . . .
H53B H 0.8201 0.5635 0.4246 0.089 Uiso 1 1 calc R U . . .
C54 C 0.9161(10) 0.6395(5) 0.3819(8) 0.111(4) Uani 1 1 d D U . . .
H54 H 0.9648 0.6406 0.4255 0.134 Uiso 1 1 calc R U . . .
C55 C 0.9119(18) 0.6940(7) 0.3336(10) 0.191(10) Uani 1 1 d D U . . .
H55A H 0.8637 0.6938 0.2898 0.229 Uiso 1 1 calc R U . . .
H55B H 0.9570 0.7343 0.3418 0.229 Uiso 1 1 calc R U . . .
C61 C 0.5928(7) -0.0169(5) 0.2166(4) 0.057(2) Uani 1 1 d . . . . .
H61A H 0.5778 0.0244 0.1812 0.086 Uiso 1 1 calc R U . . .
H61B H 0.5445 -0.0567 0.2041 0.086 Uiso 1 1 calc R U . . .
H61C H 0.6641 -0.0335 0.2091 0.086 Uiso 1 1 calc R U . . .
C62 C 0.4540(6) 0.0589(5) 0.3339(6) 0.062(2) Uani 1 1 d . . . . .
H62A H 0.4523 0.0790 0.3879 0.093 Uiso 1 1 calc R U . . .
H62B H 0.3966 0.0245 0.3260 0.093 Uiso 1 1 calc R U . . .
H62C H 0.4470 0.0984 0.2949 0.093 Uiso 1 1 calc R U . . .
C63 C 0.5896(7) -0.0694(4) 0.3873(5) 0.0528(19) Uani 1 1 d . . . . .
H63A H 0.6570 -0.0935 0.3785 0.063 Uiso 1 1 calc R U . . .
H63B H 0.5896 -0.0527 0.4434 0.063 Uiso 1 1 calc R U . . .
C64 C 0.5055(8) -0.1233(5) 0.3748(6) 0.067(2) Uani 1 1 d . . . . .
H64 H 0.4389 -0.1109 0.3935 0.081 Uiso 1 1 calc R U . . .
C65 C 0.5152(11) -0.1864(6) 0.3403(7) 0.094(4) Uani 1 1 d . . . . .
H65A H 0.5805 -0.2010 0.3207 0.112 Uiso 1 1 calc R U . . .
H65B H 0.4570 -0.2179 0.3347 0.112 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O2 1.611(4) . ?
Si1 O4 1.612(4) . ?
Si1 O1 1.623(4) . ?
Si1 C11 1.849(6) . ?
Si2 O2 1.609(4) . ?
Si2 O5 1.617(4) . ?
Si2 O3 1.617(4) . ?
Si2 C21 1.844(6) . ?
Si3 O6 1.610(4) . ?
Si3 O1 1.616(4) 2_655 ?
Si3 O5 1.617(4) . ?
Si3 C31 1.856(6) . ?
Si4 O7 1.606(5) . ?
Si4 O3 1.621(5) . ?
Si4 O4 1.622(4) 2_655 ?
Si4 C41 1.853(6) . ?
Si5 O6 1.624(5) . ?
Si5 C52 1.836(7) . ?
Si5 C51 1.842(9) . ?
Si5 C53 1.895(8) . ?
Si6 O7 1.635(5) . ?
Si6 C61 1.835(8) . ?
Si6 C62 1.841(8) . ?
Si6 C63 1.865(7) . ?
O1 Si3 1.616(4) 2_655 ?
O4 Si4 1.622(4) 2_655 ?
C11 C12 1.376(9) . ?
C11 C16 1.410(9) . ?
C12 C13 1.383(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.374(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.369(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.363(10) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.392(9) . ?
C21 C26 1.400(9) . ?
C22 C23 1.371(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.409(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.362(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.378(10) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C32 1.376(9) . ?
C31 C36 1.388(9) . ?
C32 C33 1.386(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.366(11) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.367(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.386(9) . ?
C41 C42 1.404(9) . ?
C42 C43 1.372(10) . ?
C42 H42 0.9500 . ?
C43 C44 1.393(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.374(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.374(11) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.468(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.288(9) . ?
C54 H54 0.9500 . ?
C55 H55A 0.9500 . ?
C55 H55B 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.480(11) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.305(13) . ?
C64 H64 0.9500 . ?
C65 H65A 0.9500 . ?
C65 H65B 0.9500 . ?

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
O2 Si1 O4 108.8(2) . . ?
O2 Si1 O1 109.8(2) . . ?
O4 Si1 O1 108.7(2) . . ?
O2 Si1 C11 107.0(3) . . ?
O4 Si1 C11 112.8(3) . . ?
O1 Si1 C11 109.7(3) . . ?
O2 Si2 O5 107.8(2) . . ?
O2 Si2 O3 110.6(2) . . ?
O5 Si2 O3 108.9(2) . . ?
O2 Si2 C21 108.0(3) . . ?
O5 Si2 C21 112.0(3) . . ?
O3 Si2 C21 109.5(3) . . ?
O6 Si3 O1 110.6(2) . 2_655 ?
O6 Si3 O5 107.0(2) . . ?
O1 Si3 O5 109.9(2) 2_655 . ?
O6 Si3 C31 110.9(3) . . ?
O1 Si3 C31 108.2(3) 2_655 . ?
O5 Si3 C31 110.3(3) . . ?
O7 Si4 O3 111.0(2) . . ?
O7 Si4 O4 107.5(2) . 2_655 ?
O3 Si4 O4 109.4(2) . 2_655 ?
O7 Si4 C41 111.5(3) . . ?
O3 Si4 C41 107.9(3) . . ?
O4 Si4 C41 109.4(3) 2_655 . ?
O6 Si5 C52 108.7(3) . . ?
O6 Si5 C51 108.8(3) . . ?
C52 Si5 C51 111.5(4) . . ?
O6 Si5 C53 104.7(3) . . ?
C52 Si5 C53 109.6(4) . . ?
C51 Si5 C53 113.2(5) . . ?
O7 Si6 C61 108.3(3) . . ?
O7 Si6 C62 110.1(3) . . ?
C61 Si6 C62 111.3(4) . . ?
O7 Si6 C63 106.2(3) . . ?
C61 Si6 C63 109.7(4) . . ?
C62 Si6 C63 111.1(4) . . ?
Si3 O1 Si1 144.0(3) 2_655 . ?
Si2 O2 Si1 156.6(3) . . ?
Si2 O3 Si4 142.2(3) . . ?
Si1 O4 Si4 144.3(3) . 2_655 ?
Si3 O5 Si2 141.9(3) . . ?
Si3 O6 Si5 146.4(3) . . ?
Si4 O7 Si6 150.3(3) . . ?
C12 C11 C16 117.2(6) . . ?
C12 C11 Si1 121.1(5) . . ?
C16 C11 Si1 121.7(5) . . ?
C11 C12 C13 122.0(7) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 119.5(7) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C15 C14 C13 119.6(7) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C16 C15 C14 121.2(7) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C11 120.5(7) . . ?
C15 C16 H16 119.8 . . ?
C11 C16 H16 119.8 . . ?
C22 C21 C26 117.7(6) . . ?
C22 C21 Si2 120.6(5) . . ?
C26 C21 Si2 121.7(5) . . ?
C23 C22 C21 122.4(7) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 118.8(7) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 119.4(7) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 121.7(7) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C25 C26 C21 120.1(7) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C32 C31 C36 117.5(6) . . ?
C32 C31 Si3 122.4(5) . . ?
C36 C31 Si3 120.1(5) . . ?
C31 C32 C33 121.2(7) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C34 C33 C32 120.1(7) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 119.7(7) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.4(7) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C31 122.0(7) . . ?
C35 C36 H36 119.0 . . ?
C31 C36 H36 119.0 . . ?
C46 C41 C42 117.3(6) . . ?
C46 C41 Si4 122.3(5) . . ?
C42 C41 Si4 120.3(5) . . ?
C43 C42 C41 121.5(7) . . ?
C43 C42 H42 119.2 . . ?
C41 C42 H42 119.2 . . ?
C42 C43 C44 119.7(8) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C45 C44 C43 119.4(7) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C44 C45 C46 120.5(8) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C45 C46 C41 121.5(8) . . ?
C45 C46 H46 119.2 . . ?
C41 C46 H46 119.2 . . ?
Si5 C51 H51A 109.5 . . ?
Si5 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si5 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si5 C52 H52A 109.5 . . ?
Si5 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si5 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 Si5 115.9(8) . . ?
C54 C53 H53A 108.3 . . ?
Si5 C53 H53A 108.3 . . ?
C54 C53 H53B 108.3 . . ?
Si5 C53 H53B 108.3 . . ?
H53A C53 H53B 107.4 . . ?
C55 C54 C53 122.2(15) . . ?
C55 C54 H54 118.9 . . ?
C53 C54 H54 118.9 . . ?
C54 C55 H55A 120.0 . . ?
C54 C55 H55B 120.0 . . ?
H55A C55 H55B 120.0 . . ?
Si6 C61 H61A 109.5 . . ?
Si6 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
Si6 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si6 C62 H62A 109.5 . . ?
Si6 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si6 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 Si6 113.7(6) . . ?
C64 C63 H63A 108.8 . . ?
Si6 C63 H63A 108.8 . . ?
C64 C63 H63B 108.8 . . ?
Si6 C63 H63B 108.8 . . ?
H63A C63 H63B 107.7 . . ?
C65 C64 C63 125.4(10) . . ?
C65 C64 H64 117.3 . . ?
C63 C64 H64 117.3 . . ?
C64 C65 H65A 120.0 . . ?
C64 C65 H65B 120.0 . . ?
H65A C65 H65B 120.0 . . ?

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
O2 Si1 O1 Si3 55.7(6) . . . 2_655 ?
O4 Si1 O1 Si3 -63.2(6) . . . 2_655 ?
C11 Si1 O1 Si3 173.1(5) . . . 2_655 ?
O5 Si2 O2 Si1 33.6(9) . . . . ?
O3 Si2 O2 Si1 -85.4(8) . . . . ?
C21 Si2 O2 Si1 154.8(8) . . . . ?
O4 Si1 O2 Si2 58.5(8) . . . . ?
O1 Si1 O2 Si2 -60.3(8) . . . . ?
C11 Si1 O2 Si2 -179.3(8) . . . . ?
O2 Si2 O3 Si4 49.7(6) . . . . ?
O5 Si2 O3 Si4 -68.5(5) . . . . ?
C21 Si2 O3 Si4 168.7(5) . . . . ?
O7 Si4 O3 Si2 -85.5(5) . . . . ?
O4 Si4 O3 Si2 33.1(6) 2_655 . . . ?
C41 Si4 O3 Si2 152.0(5) . . . . ?
O2 Si1 O4 Si4 -142.2(5) . . . 2_655 ?
O1 Si1 O4 Si4 -22.6(6) . . . 2_655 ?
C11 Si1 O4 Si4 99.2(5) . . . 2_655 ?
O6 Si3 O5 Si2 -179.6(4) . . . . ?
O1 Si3 O5 Si2 60.3(5) 2_655 . . . ?
C31 Si3 O5 Si2 -58.9(5) . . . . ?
O2 Si2 O5 Si3 -142.4(4) . . . . ?
O3 Si2 O5 Si3 -22.3(5) . . . . ?
C21 Si2 O5 Si3 98.9(5) . . . . ?
O1 Si3 O6 Si5 -58.3(6) 2_655 . . . ?
O5 Si3 O6 Si5 -178.0(5) . . . . ?
C31 Si3 O6 Si5 61.7(6) . . . . ?
C52 Si5 O6 Si3 141.9(5) . . . . ?
C51 Si5 O6 Si3 20.2(7) . . . . ?
C53 Si5 O6 Si3 -101.0(6) . . . . ?
O3 Si4 O7 Si6 -34.5(7) . . . . ?
O4 Si4 O7 Si6 -154.2(6) 2_655 . . . ?
C41 Si4 O7 Si6 85.9(7) . . . . ?
C61 Si6 O7 Si4 141.5(6) . . . . ?
C62 Si6 O7 Si4 19.5(7) . . . . ?
C63 Si6 O7 Si4 -100.8(7) . . . . ?
O2 Si1 C11 C12 4.4(6) . . . . ?
O4 Si1 C11 C12 124.1(5) . . . . ?
O1 Si1 C11 C12 -114.7(5) . . . . ?
O2 Si1 C11 C16 -177.6(6) . . . . ?
O4 Si1 C11 C16 -57.9(6) . . . . ?
O1 Si1 C11 C16 63.3(6) . . . . ?
C16 C11 C12 C13 -1.6(11) . . . . ?
Si1 C11 C12 C13 176.4(6) . . . . ?
C11 C12 C13 C14 0.9(12) . . . . ?
C12 C13 C14 C15 0.1(13) . . . . ?
C13 C14 C15 C16 -0.2(14) . . . . ?
C14 C15 C16 C11 -0.6(13) . . . . ?
C12 C11 C16 C15 1.5(11) . . . . ?
Si1 C11 C16 C15 -176.6(6) . . . . ?
O2 Si2 C21 C22 -31.5(6) . . . . ?
O5 Si2 C21 C22 87.0(6) . . . . ?
O3 Si2 C21 C22 -152.0(5) . . . . ?
O2 Si2 C21 C26 150.8(6) . . . . ?
O5 Si2 C21 C26 -90.6(6) . . . . ?
O3 Si2 C21 C26 30.3(7) . . . . ?
C26 C21 C22 C23 -1.6(11) . . . . ?
Si2 C21 C22 C23 -179.4(6) . . . . ?
C21 C22 C23 C24 1.7(12) . . . . ?
C22 C23 C24 C25 -1.5(13) . . . . ?
C23 C24 C25 C26 1.2(14) . . . . ?
C24 C25 C26 C21 -1.1(14) . . . . ?
C22 C21 C26 C25 1.2(11) . . . . ?
Si2 C21 C26 C25 179.0(7) . . . . ?
O6 Si3 C31 C32 -114.7(6) . . . . ?
O1 Si3 C31 C32 6.8(6) 2_655 . . . ?
O5 Si3 C31 C32 127.1(5) . . . . ?
O6 Si3 C31 C36 66.1(6) . . . . ?
O1 Si3 C31 C36 -172.5(5) 2_655 . . . ?
O5 Si3 C31 C36 -52.2(6) . . . . ?
C36 C31 C32 C33 -0.6(11) . . . . ?
Si3 C31 C32 C33 -179.9(6) . . . . ?
C31 C32 C33 C34 1.3(13) . . . . ?
C32 C33 C34 C35 -1.9(14) . . . . ?
C33 C34 C35 C36 1.9(14) . . . . ?
C34 C35 C36 C31 -1.3(13) . . . . ?
C32 C31 C36 C35 0.7(11) . . . . ?
Si3 C31 C36 C35 179.9(7) . . . . ?
O7 Si4 C41 C46 34.0(7) . . . . ?
O3 Si4 C41 C46 156.2(6) . . . . ?
O4 Si4 C41 C46 -84.8(6) 2_655 . . . ?
O7 Si4 C41 C42 -150.6(5) . . . . ?
O3 Si4 C41 C42 -28.4(6) . . . . ?
O4 Si4 C41 C42 90.6(6) 2_655 . . . ?
C46 C41 C42 C43 1.2(11) . . . . ?
Si4 C41 C42 C43 -174.5(6) . . . . ?
C41 C42 C43 C44 -1.3(12) . . . . ?
C42 C43 C44 C45 0.9(13) . . . . ?
C43 C44 C45 C46 -0.5(14) . . . . ?
C44 C45 C46 C41 0.4(13) . . . . ?
C42 C41 C46 C45 -0.8(11) . . . . ?
Si4 C41 C46 C45 174.8(6) . . . . ?
O6 Si5 C53 C54 173.7(9) . . . . ?
C52 Si5 C53 C54 -69.8(10) . . . . ?
C51 Si5 C53 C54 55.4(10) . . . . ?
Si5 C53 C54 C55 103.6(16) . . . . ?
O7 Si6 C63 C64 178.2(6) . . . . ?
C61 Si6 C63 C64 -65.0(8) . . . . ?
C62 Si6 C63 C64 58.5(8) . . . . ?
Si6 C63 C64 C65 106.8(11) . . . . ?

_refine_diff_density_max         1.233
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.142

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6b
_database_code_depnum_ccdc_archive 'CCDC 2041830'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H46 O13 Si9'
_chemical_formula_weight         1119.69

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.6363(2)
_cell_length_b                   10.91209(17)
_cell_length_c                   27.9552(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.9393(13)
_cell_angle_gamma                90
_cell_volume                     5367.24(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    8534
_cell_measurement_theta_min      3.5870
_cell_measurement_theta_max      26.7130

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_F_000             2328
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.285
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.98551
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            22158
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.243
_diffrn_reflns_theta_max         26.791
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.907
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.907
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             10388
_reflns_number_gt                8437
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0426P)²+4.9469P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10388
_refine_ls_number_parameters     687
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0419
_refine_ls_wR_factor_ref         0.1031
_refine_ls_wR_factor_gt          0.0965
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.74223(3) 0.65243(6) 0.46098(2) 0.01680(14) Uani 1 1 d . . . . .
Si2 Si 0.88528(3) 0.58872(6) 0.40786(2) 0.01575(14) Uani 1 1 d . . . . .
Si3 Si 0.66479(4) 0.40572(6) 0.43004(2) 0.01895(14) Uani 1 1 d . . . . .
Si4 Si 0.81796(4) 0.69258(6) 0.31398(2) 0.01846(14) Uani 1 1 d . . . . .
Si5 Si 0.66746(3) 0.75606(6) 0.36550(2) 0.01939(14) Uani 1 1 d . . . . .
Si6 Si 0.78207(4) 0.43280(6) 0.26905(2) 0.02074(15) Uani 1 1 d . . . . .
Si7 Si 0.80803(4) 0.33851(6) 0.37304(2) 0.01867(14) Uani 1 1 d . . . . .
Si8 Si 0.55615(3) 0.53361(6) 0.35197(2) 0.01964(14) Uani 1 1 d . . . . .
Si9 Si 0.60451(4) 0.47646(7) 0.24957(2) 0.02700(17) Uani 1 1 d . . . . .
O1 O 0.82939(8) 0.63943(15) 0.44713(5) 0.0202(3) Uani 1 1 d . . . . .
O2 O 0.87666(9) 0.67711(15) 0.36099(5) 0.0206(3) Uani 1 1 d . . . . .
O3 O 0.86223(9) 0.45080(15) 0.39146(6) 0.0217(4) Uani 1 1 d . . . . .
O4 O 0.70240(9) 0.51881(15) 0.46122(6) 0.0222(4) Uani 1 1 d . . . . .
O5 O 0.59253(9) 0.45441(15) 0.39712(6) 0.0243(4) Uani 1 1 d . . . . .
O6 O 0.72740(9) 0.35087(15) 0.39649(6) 0.0245(4) Uani 1 1 d . . . . .
O7 O 0.59522(9) 0.66757(16) 0.35370(6) 0.0266(4) Uani 1 1 d . . . . .
O8 O 0.69611(9) 0.73770(15) 0.42150(6) 0.0232(4) Uani 1 1 d . . . . .
O9 O 0.81531(10) 0.56712(16) 0.28379(6) 0.0286(4) Uani 1 1 d . . . . .
O10 O 0.79585(11) 0.34371(16) 0.31521(6) 0.0299(4) Uani 1 1 d . . . . .
O11 O 0.73430(9) 0.71797(16) 0.33195(6) 0.0257(4) Uani 1 1 d . . . . .
O12 O 0.57272(9) 0.46545(17) 0.30279(6) 0.0278(4) Uani 1 1 d . . . . .
O13 O 0.69304(10) 0.44035(19) 0.25377(7) 0.0369(5) Uani 1 1 d . . . . .
C11 C 0.74019(13) 0.7241(2) 0.52038(8) 0.0220(5) Uani 1 1 d . . . . .
C12 C 0.67689(16) 0.7108(3) 0.54731(10) 0.0399(7) Uani 1 1 d . . . . .
H12 H 0.6357 0.6609 0.5354 0.048 Uiso 1 1 calc R U . . .
C13 C 0.67299(19) 0.7691(3) 0.59121(11) 0.0523(9) Uani 1 1 d . . . . .
H13 H 0.6294 0.7591 0.6090 0.063 Uiso 1 1 calc R U . . .
C14 C 0.73248(19) 0.8415(3) 0.60897(10) 0.0457(8) Uani 1 1 d . . . . .
H14 H 0.7298 0.8816 0.6390 0.055 Uiso 1 1 calc R U . . .
C15 C 0.79536(17) 0.8558(3) 0.58354(10) 0.0419(7) Uani 1 1 d . . . . .
H15 H 0.8364 0.9053 0.5959 0.050 Uiso 1 1 calc R U . . .
C16 C 0.79913(15) 0.7977(3) 0.53948(10) 0.0332(6) Uani 1 1 d . . . . .
H16 H 0.8430 0.8085 0.5220 0.040 Uiso 1 1 calc R U . . .
C21 C 0.98396(12) 0.5896(2) 0.43393(8) 0.0186(5) Uani 1 1 d . . . . .
C22 C 1.00811(14) 0.6639(2) 0.47236(8) 0.0258(5) Uani 1 1 d . . . . .
H22 H 0.9722 0.7133 0.4873 0.031 Uiso 1 1 calc R U . . .
C23 C 1.08405(15) 0.6671(3) 0.48932(9) 0.0336(6) Uani 1 1 d . . . . .
H23 H 1.0999 0.7200 0.5151 0.040 Uiso 1 1 calc R U . . .
C24 C 1.13618(14) 0.5934(3) 0.46878(10) 0.0347(7) Uani 1 1 d . . . . .
H24 H 1.1881 0.5961 0.4802 0.042 Uiso 1 1 calc R U . . .
C25 C 1.11337(14) 0.5158(3) 0.43175(10) 0.0325(6) Uani 1 1 d . . . . .
H25 H 1.1492 0.4634 0.4182 0.039 Uiso 1 1 calc R U . . .
C26 C 1.03791(13) 0.5146(2) 0.41428(9) 0.0262(5) Uani 1 1 d . . . . .
H26 H 1.0226 0.4616 0.3884 0.031 Uiso 1 1 calc R U . . .
C31 C 0.63158(14) 0.2867(2) 0.47059(8) 0.0228(5) Uani 1 1 d . . . . .
C32 C 0.55452(15) 0.2793(3) 0.47995(9) 0.0305(6) Uani 1 1 d . . . . .
H32 H 0.5196 0.3377 0.4661 0.037 Uiso 1 1 calc R U . . .
C33 C 0.52868(17) 0.1875(3) 0.50924(10) 0.0398(7) Uani 1 1 d . . . . .
H33 H 0.4763 0.1835 0.5152 0.048 Uiso 1 1 calc R U . . .
C34 C 0.57841(19) 0.1028(3) 0.52957(11) 0.0445(8) Uani 1 1 d . . . . .
H34 H 0.5602 0.0400 0.5493 0.053 Uiso 1 1 calc R U . . .
C35 C 0.65506(18) 0.1081(3) 0.52156(10) 0.0389(7) Uani 1 1 d . . . . .
H35 H 0.6895 0.0497 0.5360 0.047 Uiso 1 1 calc R U . . .
C36 C 0.68111(15) 0.1999(2) 0.49211(9) 0.0298(6) Uani 1 1 d . . . . .
H36 H 0.7336 0.2035 0.4866 0.036 Uiso 1 1 calc R U . . .
C41 C 0.84815(13) 0.8157(2) 0.27441(8) 0.0223(5) Uani 1 1 d . . . . .
C42 C 0.86262(15) 0.7888(3) 0.22700(9) 0.0321(6) Uani 1 1 d . . . . .
H42 H 0.8580 0.7068 0.2157 0.039 Uiso 1 1 calc R U . . .
C43 C 0.88369(17) 0.8809(3) 0.19615(10) 0.0415(7) Uani 1 1 d . . . . .
H43 H 0.8930 0.8615 0.1640 0.050 Uiso 1 1 calc R U . . .
C44 C 0.89108(16) 0.9996(3) 0.21192(10) 0.0386(7) Uani 1 1 d . . . . .
H44 H 0.9057 1.0619 0.1907 0.046 Uiso 1 1 calc R U . . .
C45 C 0.87735(16) 1.0287(3) 0.25839(10) 0.0355(6) Uani 1 1 d . . . . .
H45 H 0.8825 1.1110 0.2692 0.043 Uiso 1 1 calc R U . . .
C46 C 0.85600(15) 0.9376(2) 0.28943(9) 0.0297(6) Uani 1 1 d . . . . .
H46 H 0.8465 0.9585 0.3215 0.036 Uiso 1 1 calc R U . . .
C51 C 0.63975(13) 0.9163(2) 0.35517(9) 0.0233(5) Uani 1 1 d . . . . .
C52 C 0.66374(15) 0.9824(3) 0.31603(9) 0.0307(6) Uani 1 1 d . . . . .
H52 H 0.6954 0.9437 0.2944 0.037 Uiso 1 1 calc R U . . .
C53 C 0.64212(17) 1.1029(3) 0.30830(11) 0.0402(7) Uani 1 1 d . . . . .
H53 H 0.6597 1.1472 0.2820 0.048 Uiso 1 1 calc R U . . .
C54 C 0.59526(18) 1.1581(3) 0.33884(11) 0.0429(8) Uani 1 1 d . . . . .
H54 H 0.5801 1.2407 0.3335 0.052 Uiso 1 1 calc R U . . .
C55 C 0.56987(18) 1.0951(3) 0.37727(11) 0.0417(7) Uani 1 1 d . . . . .
H55 H 0.5366 1.1337 0.3979 0.050 Uiso 1 1 calc R U . . .
C56 C 0.59297(16) 0.9752(3) 0.38576(10) 0.0329(6) Uani 1 1 d . . . . .
H56 H 0.5765 0.9328 0.4129 0.039 Uiso 1 1 calc R U . . .
C61 C 0.83084(13) 0.3786(2) 0.21685(8) 0.0195(5) Uani 1 1 d . . . . .
C62 C 0.91005(15) 0.3709(3) 0.21769(10) 0.0370(7) Uani 1 1 d . . . . .
H62 H 0.9398 0.3891 0.2464 0.044 Uiso 1 1 calc R U . . .
C63 C 0.94572(16) 0.3367(3) 0.17672(12) 0.0455(8) Uani 1 1 d . . . . .
H63 H 0.9996 0.3310 0.1779 0.055 Uiso 1 1 calc R U . . .
C64 C 0.90401(17) 0.3114(3) 0.13489(10) 0.0366(7) Uani 1 1 d . . . . .
H64 H 0.9288 0.2892 0.1070 0.044 Uiso 1 1 calc R U . . .
C65 C 0.82664(16) 0.3181(3) 0.13327(10) 0.0365(7) Uani 1 1 d . . . . .
H65 H 0.7975 0.3007 0.1042 0.044 Uiso 1 1 calc R U . . .
C66 C 0.79057(15) 0.3502(3) 0.17392(9) 0.0294(6) Uani 1 1 d . . . . .
H66 H 0.7366 0.3528 0.1723 0.035 Uiso 1 1 calc R U . . .
C71 C 0.85270(14) 0.1921(2) 0.39157(8) 0.0236(5) Uani 1 1 d . . . . .
C72 C 0.93094(16) 0.1759(3) 0.39197(13) 0.0468(8) Uani 1 1 d . . . . .
H72 H 0.9618 0.2404 0.3813 0.056 Uiso 1 1 calc R U . . .
C73 C 0.96467(19) 0.0665(3) 0.40783(16) 0.0641(11) Uani 1 1 d . . . . .
H73 H 1.0183 0.0571 0.4081 0.077 Uiso 1 1 calc R U . . .
C74 C 0.9210(2) -0.0277(3) 0.42303(13) 0.0526(9) Uani 1 1 d . . . . .
H74 H 0.9442 -0.1020 0.4339 0.063 Uiso 1 1 calc R U . . .
C75 C 0.84399(18) -0.0146(3) 0.42248(10) 0.0386(7) Uani 1 1 d . . . . .
H75 H 0.8136 -0.0801 0.4328 0.046 Uiso 1 1 calc R U . . .
C76 C 0.80998(15) 0.0941(2) 0.40686(9) 0.0276(6) Uani 1 1 d . . . . .
H76 H 0.7563 0.1020 0.4066 0.033 Uiso 1 1 calc R U . . .
C81 C 0.45244(13) 0.5434(2) 0.35647(8) 0.0208(5) Uani 1 1 d . . . . .
C82 C 0.42203(16) 0.5772(3) 0.39896(10) 0.0423(8) Uani 1 1 d . . . . .
H82 H 0.4551 0.5949 0.4264 0.051 Uiso 1 1 calc R U . . .
C83 C 0.34375(17) 0.5856(4) 0.40209(12) 0.0528(9) Uani 1 1 d . . . . .
H83 H 0.3239 0.6085 0.4315 0.063 Uiso 1 1 calc R U . . .
C84 C 0.29533(15) 0.5609(3) 0.36284(10) 0.0382(7) Uani 1 1 d . . . . .
H84 H 0.2419 0.5667 0.3650 0.046 Uiso 1 1 calc R U . . .
C85 C 0.32392(15) 0.5279(3) 0.32065(11) 0.0436(8) Uani 1 1 d . . . . .
H85 H 0.2904 0.5110 0.2934 0.052 Uiso 1 1 calc R U . . .
C86 C 0.40214(14) 0.5190(3) 0.31747(9) 0.0382(7) Uani 1 1 d . . . . .
H86 H 0.4214 0.4957 0.2879 0.046 Uiso 1 1 calc R U . . .
C91 C 0.5535(7) 0.3557(9) 0.2098(5) 0.0324(19) Uani 0.650(9) 1 d . . P A 1
H91A H 0.5770 0.3512 0.1791 0.049 Uiso 0.650(9) 1 calc R U P A 1
H91B H 0.4998 0.3780 0.2042 0.049 Uiso 0.650(9) 1 calc R U P A 1
H91C H 0.5575 0.2757 0.2258 0.049 Uiso 0.650(9) 1 calc R U P A 1
C92 C 0.5919(7) 0.6375(9) 0.2292(3) 0.035(2) Uani 0.650(9) 1 d . . P A 1
H92 H 0.5418 0.6703 0.2274 0.042 Uiso 0.650(9) 1 calc R U P A 1
C93 C 0.6438(3) 0.7051(4) 0.21778(15) 0.0431(16) Uani 0.650(9) 1 d . . P A 1
H93A H 0.6946 0.6754 0.2191 0.052 Uiso 0.650(9) 1 calc R U P A 1
H93B H 0.6331 0.7868 0.2077 0.052 Uiso 0.650(9) 1 calc R U P A 1
C91A C 0.6017(17) 0.630(3) 0.2250(10) 0.098(10) Uani 0.350(9) 1 d . U P A 2
H91D H 0.5489 0.6589 0.2214 0.147 Uiso 0.350(9) 1 calc R U P A 2
H91E H 0.6314 0.6855 0.2467 0.147 Uiso 0.350(9) 1 calc R U P A 2
H91F H 0.6233 0.6301 0.1936 0.147 Uiso 0.350(9) 1 calc R U P A 2
C92A C 0.5530(17) 0.3941(19) 0.2100(11) 0.059(7) Uani 0.350(9) 1 d . U P A 2
H92A H 0.5057 0.3672 0.2206 0.070 Uiso 0.350(9) 1 calc R U P A 2
C93A C 0.5656(7) 0.3604(16) 0.1677(6) 0.105(6) Uani 0.350(9) 1 d . U P A 2
H93C H 0.6115 0.3833 0.1543 0.126 Uiso 0.350(9) 1 calc R U P A 2
H93D H 0.5291 0.3123 0.1496 0.126 Uiso 0.350(9) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O1 1.6171(16) . ?
Si1 O4 1.6187(17) . ?
Si1 O8 1.6192(17) . ?
Si1 C11 1.838(2) . ?
Si2 O3 1.6171(17) . ?
Si2 O1 1.6223(16) . ?
Si2 O2 1.6257(16) . ?
Si2 C21 1.840(2) . ?
Si3 O5 1.6101(17) . ?
Si3 O6 1.6122(17) . ?
Si3 O4 1.6257(17) . ?
Si3 C31 1.846(2) . ?
Si4 O9 1.6074(18) . ?
Si4 O11 1.6149(17) . ?
Si4 O2 1.6249(16) . ?
Si4 C41 1.842(2) . ?
Si5 O11 1.6107(17) . ?
Si5 O7 1.6145(17) . ?
Si5 O8 1.6239(17) . ?
Si5 C51 1.833(3) . ?
Si6 O13 1.6007(18) . ?
Si6 O10 1.6206(18) . ?
Si6 O9 1.6213(18) . ?
Si6 C61 1.842(2) . ?
Si7 O6 1.6119(16) . ?
Si7 O3 1.6163(17) . ?
Si7 O10 1.6172(17) . ?
Si7 C71 1.840(3) . ?
Si8 O12 1.6076(17) . ?
Si8 O7 1.6154(18) . ?
Si8 O5 1.6249(17) . ?
Si8 C81 1.845(2) . ?
Si9 O13 1.6068(18) . ?
Si9 O12 1.6297(17) . ?
Si9 C92A 1.65(3) . ?
Si9 C91A 1.81(3) . ?
Si9 C92 1.857(8) . ?
Si9 C91 1.909(10) . ?
C11 C16 1.390(4) . ?
C11 C12 1.397(3) . ?
C12 C13 1.388(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.367(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.389(3) . ?
C21 C26 1.396(3) . ?
C22 C23 1.390(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.376(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.396(4) . ?
C31 C32 1.404(3) . ?
C32 C33 1.390(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.371(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.395(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.398(3) . ?
C41 C46 1.400(4) . ?
C42 C43 1.392(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.372(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.375(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C56 1.386(4) . ?
C51 C52 1.400(3) . ?
C52 C53 1.383(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.368(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.376(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.386(4) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.387(3) . ?
C61 C62 1.398(3) . ?
C62 C63 1.395(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.366(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.364(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.385(3) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.390(4) . ?
C71 C76 1.392(3) . ?
C72 C73 1.393(4) . ?
C72 H72 0.9500 . ?
C73 C74 1.370(5) . ?
C73 H73 0.9500 . ?
C74 C75 1.364(4) . ?
C74 H74 0.9500 . ?
C75 C76 1.387(4) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C86 1.383(3) . ?
C81 C82 1.386(3) . ?
C82 C83 1.392(4) . ?
C82 H82 0.9500 . ?
C83 C84 1.370(4) . ?
C83 H83 0.9500 . ?
C84 C85 1.363(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.392(4) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.235(13) . ?
C92 H92 0.9500 . ?
C93 H93A 0.9500 . ?
C93 H93B 0.9500 . ?
C91A H91D 0.9800 . ?
C91A H91E 0.9800 . ?
C91A H91F 0.9800 . ?
C92A C93A 1.27(3) . ?
C92A H92A 0.9500 . ?
C93A H93C 0.9500 . ?
C93A H93D 0.9500 . ?

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
O1 Si1 O4 109.99(9) . . ?
O1 Si1 O8 109.17(9) . . ?
O4 Si1 O8 108.82(9) . . ?
O1 Si1 C11 109.36(10) . . ?
O4 Si1 C11 110.14(10) . . ?
O8 Si1 C11 109.33(10) . . ?
O3 Si2 O1 110.90(9) . . ?
O3 Si2 O2 108.41(9) . . ?
O1 Si2 O2 108.39(9) . . ?
O3 Si2 C21 109.25(10) . . ?
O1 Si2 C21 109.41(9) . . ?
O2 Si2 C21 110.47(9) . . ?
O5 Si3 O6 109.68(9) . . ?
O5 Si3 O4 109.49(9) . . ?
O6 Si3 O4 108.86(9) . . ?
O5 Si3 C31 108.13(10) . . ?
O6 Si3 C31 110.79(10) . . ?
O4 Si3 C31 109.87(10) . . ?
O9 Si4 O11 108.37(10) . . ?
O9 Si4 O2 109.27(9) . . ?
O11 Si4 O2 108.14(9) . . ?
O9 Si4 C41 107.75(10) . . ?
O11 Si4 C41 111.70(10) . . ?
O2 Si4 C41 111.54(10) . . ?
O11 Si5 O7 108.99(10) . . ?
O11 Si5 O8 109.75(9) . . ?
O7 Si5 O8 108.19(9) . . ?
O11 Si5 C51 110.62(10) . . ?
O7 Si5 C51 109.90(10) . . ?
O8 Si5 C51 109.36(10) . . ?
O13 Si6 O10 109.51(10) . . ?
O13 Si6 O9 110.63(11) . . ?
O10 Si6 O9 107.94(9) . . ?
O13 Si6 C61 107.95(10) . . ?
O10 Si6 C61 112.67(10) . . ?
O9 Si6 C61 108.15(10) . . ?
O6 Si7 O3 109.03(9) . . ?
O6 Si7 O10 110.08(10) . . ?
O3 Si7 O10 109.08(9) . . ?
O6 Si7 C71 109.32(10) . . ?
O3 Si7 C71 109.64(10) . . ?
O10 Si7 C71 109.69(10) . . ?
O12 Si8 O7 110.00(9) . . ?
O12 Si8 O5 109.45(9) . . ?
O7 Si8 O5 108.25(9) . . ?
O12 Si8 C81 108.94(10) . . ?
O7 Si8 C81 111.61(10) . . ?
O5 Si8 C81 108.56(10) . . ?
O13 Si9 O12 107.98(10) . . ?
O13 Si9 C92A 113.8(10) . . ?
O12 Si9 C92A 111.3(11) . . ?
O13 Si9 C91A 104.8(9) . . ?
O12 Si9 C91A 114.3(9) . . ?
C92A Si9 C91A 104.6(13) . . ?
O13 Si9 C92 110.5(4) . . ?
O12 Si9 C92 108.0(3) . . ?
O13 Si9 C91 106.9(4) . . ?
O12 Si9 C91 107.6(5) . . ?
C92 Si9 C91 115.7(5) . . ?
Si1 O1 Si2 145.46(11) . . ?
Si4 O2 Si2 137.11(11) . . ?
Si7 O3 Si2 158.05(11) . . ?
Si1 O4 Si3 147.43(11) . . ?
Si3 O5 Si8 150.97(11) . . ?
Si7 O6 Si3 157.85(12) . . ?
Si5 O7 Si8 151.20(12) . . ?
Si1 O8 Si5 146.76(12) . . ?
Si4 O9 Si6 154.22(12) . . ?
Si7 O10 Si6 145.03(12) . . ?
Si5 O11 Si4 161.13(12) . . ?
Si8 O12 Si9 147.21(13) . . ?
Si6 O13 Si9 164.27(14) . . ?
C16 C11 C12 117.2(2) . . ?
C16 C11 Si1 122.15(18) . . ?
C12 C11 Si1 120.6(2) . . ?
C13 C12 C11 121.3(3) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C11 C16 C15 121.5(2) . . ?
C11 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C22 C21 C26 117.8(2) . . ?
C22 C21 Si2 122.73(18) . . ?
C26 C21 Si2 119.51(18) . . ?
C21 C22 C23 121.0(2) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.3(2) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 119.7(2) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C21 121.3(2) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C36 C31 C32 117.7(2) . . ?
C36 C31 Si3 121.76(18) . . ?
C32 C31 Si3 120.48(19) . . ?
C33 C32 C31 120.8(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.6(3) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 119.3(3) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C35 C36 C31 121.3(3) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?
C42 C41 C46 117.6(2) . . ?
C42 C41 Si4 119.7(2) . . ?
C46 C41 Si4 122.69(18) . . ?
C43 C42 C41 120.7(3) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 C42 120.4(3) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C45 120.2(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C45 C46 C41 121.3(2) . . ?
C45 C46 H46 119.4 . . ?
C41 C46 H46 119.4 . . ?
C56 C51 C52 117.9(2) . . ?
C56 C51 Si5 120.55(19) . . ?
C52 C51 Si5 121.5(2) . . ?
C53 C52 C51 121.1(3) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C54 C53 C52 119.5(3) . . ?
C54 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C53 C54 C55 120.7(3) . . ?
C53 C54 H54 119.6 . . ?
C55 C54 H54 119.6 . . ?
C54 C55 C56 119.8(3) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C51 C56 C55 120.8(3) . . ?
C51 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C66 C61 C62 116.9(2) . . ?
C66 C61 Si6 121.21(17) . . ?
C62 C61 Si6 121.77(19) . . ?
C63 C62 C61 120.6(3) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C64 C63 C62 120.7(3) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C65 C64 C63 119.8(2) . . ?
C65 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C64 C65 C66 120.1(3) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 122.0(2) . . ?
C65 C66 H66 119.0 . . ?
C61 C66 H66 119.0 . . ?
C72 C71 C76 117.2(2) . . ?
C72 C71 Si7 121.2(2) . . ?
C76 C71 Si7 121.54(19) . . ?
C71 C72 C73 120.9(3) . . ?
C71 C72 H72 119.6 . . ?
C73 C72 H72 119.6 . . ?
C74 C73 C72 120.3(3) . . ?
C74 C73 H73 119.8 . . ?
C72 C73 H73 119.8 . . ?
C75 C74 C73 119.9(3) . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.1(3) . . ?
C74 C75 H75 119.9 . . ?
C76 C75 H75 119.9 . . ?
C75 C76 C71 121.5(3) . . ?
C75 C76 H76 119.3 . . ?
C71 C76 H76 119.3 . . ?
C86 C81 C82 117.5(2) . . ?
C86 C81 Si8 121.34(18) . . ?
C82 C81 Si8 121.17(19) . . ?
C81 C82 C83 121.0(3) . . ?
C81 C82 H82 119.5 . . ?
C83 C82 H82 119.5 . . ?
C84 C83 C82 120.2(3) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C85 C84 C83 119.9(3) . . ?
C85 C84 H84 120.1 . . ?
C83 C84 H84 120.1 . . ?
C84 C85 C86 120.1(3) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C81 C86 C85 121.4(2) . . ?
C81 C86 H86 119.3 . . ?
C85 C86 H86 119.3 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 Si9 124.7(7) . . ?
C93 C92 H92 117.7 . . ?
Si9 C92 H92 117.7 . . ?
C92 C93 H93A 120.0 . . ?
C92 C93 H93B 120.0 . . ?
H93A C93 H93B 120.0 . . ?
Si9 C91A H91D 109.5 . . ?
Si9 C91A H91E 109.5 . . ?
H91D C91A H91E 109.5 . . ?
Si9 C91A H91F 109.5 . . ?
H91D C91A H91F 109.5 . . ?
H91E C91A H91F 109.5 . . ?
C93A C92A Si9 131(2) . . ?
C93A C92A H92A 114.5 . . ?
Si9 C92A H92A 114.5 . . ?
C92A C93A H93C 120.0 . . ?
C92A C93A H93D 120.0 . . ?
H93C C93A H93D 120.0 . . ?

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
O4 Si1 O1 Si2 55.5(2) . . . . ?
O8 Si1 O1 Si2 -63.9(2) . . . . ?
C11 Si1 O1 Si2 176.53(19) . . . . ?
O3 Si2 O1 Si1 -45.8(2) . . . . ?
O2 Si2 O1 Si1 73.1(2) . . . . ?
C21 Si2 O1 Si1 -166.43(18) . . . . ?
O9 Si4 O2 Si2 -59.49(18) . . . . ?
O11 Si4 O2 Si2 58.28(18) . . . . ?
C41 Si4 O2 Si2 -178.52(15) . . . . ?
O3 Si2 O2 Si4 39.58(18) . . . . ?
O1 Si2 O2 Si4 -80.88(17) . . . . ?
C21 Si2 O2 Si4 159.26(15) . . . . ?
O6 Si7 O3 Si2 -36.5(3) . . . . ?
O10 Si7 O3 Si2 83.7(3) . . . . ?
C71 Si7 O3 Si2 -156.2(3) . . . . ?
O1 Si2 O3 Si7 48.7(3) . . . . ?
O2 Si2 O3 Si7 -70.1(3) . . . . ?
C21 Si2 O3 Si7 169.4(3) . . . . ?
O1 Si1 O4 Si3 -75.9(2) . . . . ?
O8 Si1 O4 Si3 43.7(2) . . . . ?
C11 Si1 O4 Si3 163.5(2) . . . . ?
O5 Si3 O4 Si1 -59.9(2) . . . . ?
O6 Si3 O4 Si1 60.0(2) . . . . ?
C31 Si3 O4 Si1 -178.6(2) . . . . ?
O6 Si3 O5 Si8 -49.1(3) . . . . ?
O4 Si3 O5 Si8 70.3(3) . . . . ?
C31 Si3 O5 Si8 -170.0(2) . . . . ?
O12 Si8 O5 Si3 72.4(3) . . . . ?
O7 Si8 O5 Si3 -47.5(3) . . . . ?
C81 Si8 O5 Si3 -168.8(2) . . . . ?
O3 Si7 O6 Si3 -5.0(3) . . . . ?
O10 Si7 O6 Si3 -124.7(3) . . . . ?
C71 Si7 O6 Si3 114.8(3) . . . . ?
O5 Si3 O6 Si7 118.4(3) . . . . ?
O4 Si3 O6 Si7 -1.4(3) . . . . ?
C31 Si3 O6 Si7 -122.3(3) . . . . ?
O11 Si5 O7 Si8 62.8(3) . . . . ?
O8 Si5 O7 Si8 -56.5(3) . . . . ?
C51 Si5 O7 Si8 -175.9(2) . . . . ?
O12 Si8 O7 Si5 -85.5(3) . . . . ?
O5 Si8 O7 Si5 34.1(3) . . . . ?
C81 Si8 O7 Si5 153.5(2) . . . . ?
O1 Si1 O8 Si5 60.3(2) . . . . ?
O4 Si1 O8 Si5 -59.8(2) . . . . ?
C11 Si1 O8 Si5 179.89(19) . . . . ?
O11 Si5 O8 Si1 -41.4(2) . . . . ?
O7 Si5 O8 Si1 77.5(2) . . . . ?
C51 Si5 O8 Si1 -162.87(19) . . . . ?
O11 Si4 O9 Si6 -25.7(3) . . . . ?
O2 Si4 O9 Si6 91.9(3) . . . . ?
C41 Si4 O9 Si6 -146.8(3) . . . . ?
O13 Si6 O9 Si4 55.9(3) . . . . ?
O10 Si6 O9 Si4 -63.9(3) . . . . ?
C61 Si6 O9 Si4 173.9(3) . . . . ?
O6 Si7 O10 Si6 79.7(2) . . . . ?
O3 Si7 O10 Si6 -39.8(2) . . . . ?
C71 Si7 O10 Si6 -159.9(2) . . . . ?
O13 Si6 O10 Si7 -95.9(2) . . . . ?
O9 Si6 O10 Si7 24.6(2) . . . . ?
C61 Si6 O10 Si7 144.0(2) . . . . ?
O7 Si5 O11 Si4 -145.1(4) . . . . ?
O8 Si5 O11 Si4 -26.8(4) . . . . ?
C51 Si5 O11 Si4 93.9(4) . . . . ?
O9 Si4 O11 Si5 138.9(4) . . . . ?
O2 Si4 O11 Si5 20.6(4) . . . . ?
C41 Si4 O11 Si5 -102.5(4) . . . . ?
O7 Si8 O12 Si9 -10.9(2) . . . . ?
O5 Si8 O12 Si9 -129.7(2) . . . . ?
C81 Si8 O12 Si9 111.8(2) . . . . ?
O13 Si9 O12 Si8 92.7(2) . . . . ?
C92A Si9 O12 Si8 -141.7(9) . . . . ?
C91A Si9 O12 Si8 -23.5(11) . . . . ?
C92 Si9 O12 Si8 -26.8(4) . . . . ?
C91 Si9 O12 Si8 -152.3(4) . . . . ?
O10 Si6 O13 Si9 84.5(6) . . . . ?
O9 Si6 O13 Si9 -34.3(6) . . . . ?
C61 Si6 O13 Si9 -152.5(5) . . . . ?
O12 Si9 O13 Si6 -53.9(6) . . . . ?
C92A Si9 O13 Si6 -178.1(12) . . . . ?
C91A Si9 O13 Si6 68.3(11) . . . . ?
C92 Si9 O13 Si6 63.9(6) . . . . ?
C91 Si9 O13 Si6 -169.5(7) . . . . ?
O1 Si1 C11 C16 23.6(2) . . . . ?
O4 Si1 C11 C16 144.6(2) . . . . ?
O8 Si1 C11 C16 -95.8(2) . . . . ?
O1 Si1 C11 C12 -159.3(2) . . . . ?
O4 Si1 C11 C12 -38.3(2) . . . . ?
O8 Si1 C11 C12 81.2(2) . . . . ?
C16 C11 C12 C13 0.3(4) . . . . ?
Si1 C11 C12 C13 -176.9(3) . . . . ?
C11 C12 C13 C14 -0.2(5) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C13 C14 C15 C16 0.4(5) . . . . ?
C12 C11 C16 C15 -0.1(4) . . . . ?
Si1 C11 C16 C15 177.1(2) . . . . ?
C14 C15 C16 C11 -0.2(5) . . . . ?
O3 Si2 C21 C22 -143.93(19) . . . . ?
O1 Si2 C21 C22 -22.3(2) . . . . ?
O2 Si2 C21 C22 96.9(2) . . . . ?
O3 Si2 C21 C26 37.1(2) . . . . ?
O1 Si2 C21 C26 158.71(18) . . . . ?
O2 Si2 C21 C26 -82.0(2) . . . . ?
C26 C21 C22 C23 2.6(4) . . . . ?
Si2 C21 C22 C23 -176.34(19) . . . . ?
C21 C22 C23 C24 -1.7(4) . . . . ?
C22 C23 C24 C25 -0.5(4) . . . . ?
C23 C24 C25 C26 1.8(4) . . . . ?
C24 C25 C26 C21 -0.8(4) . . . . ?
C22 C21 C26 C25 -1.4(4) . . . . ?
Si2 C21 C26 C25 177.62(19) . . . . ?
O5 Si3 C31 C36 158.8(2) . . . . ?
O6 Si3 C31 C36 38.6(2) . . . . ?
O4 Si3 C31 C36 -81.7(2) . . . . ?
O5 Si3 C31 C32 -19.8(2) . . . . ?
O6 Si3 C31 C32 -140.0(2) . . . . ?
O4 Si3 C31 C32 99.7(2) . . . . ?
C36 C31 C32 C33 -0.7(4) . . . . ?
Si3 C31 C32 C33 178.0(2) . . . . ?
C31 C32 C33 C34 0.2(4) . . . . ?
C32 C33 C34 C35 0.5(5) . . . . ?
C33 C34 C35 C36 -0.6(5) . . . . ?
C34 C35 C36 C31 0.1(4) . . . . ?
C32 C31 C36 C35 0.6(4) . . . . ?
Si3 C31 C36 C35 -178.0(2) . . . . ?
O9 Si4 C41 C42 1.0(2) . . . . ?
O11 Si4 C41 C42 -117.9(2) . . . . ?
O2 Si4 C41 C42 120.9(2) . . . . ?
O9 Si4 C41 C46 179.6(2) . . . . ?
O11 Si4 C41 C46 60.7(2) . . . . ?
O2 Si4 C41 C46 -60.4(2) . . . . ?
C46 C41 C42 C43 -0.3(4) . . . . ?
Si4 C41 C42 C43 178.4(2) . . . . ?
C41 C42 C43 C44 0.4(4) . . . . ?
C42 C43 C44 C45 -0.3(5) . . . . ?
C43 C44 C45 C46 0.0(4) . . . . ?
C44 C45 C46 C41 0.1(4) . . . . ?
C42 C41 C46 C45 0.0(4) . . . . ?
Si4 C41 C46 C45 -178.6(2) . . . . ?
O11 Si5 C51 C56 -168.67(19) . . . . ?
O7 Si5 C51 C56 70.9(2) . . . . ?
O8 Si5 C51 C56 -47.7(2) . . . . ?
O11 Si5 C51 C52 12.5(2) . . . . ?
O7 Si5 C51 C52 -107.9(2) . . . . ?
O8 Si5 C51 C52 133.4(2) . . . . ?
C56 C51 C52 C53 0.6(4) . . . . ?
Si5 C51 C52 C53 179.5(2) . . . . ?
C51 C52 C53 C54 -1.3(4) . . . . ?
C52 C53 C54 C55 0.4(4) . . . . ?
C53 C54 C55 C56 1.2(4) . . . . ?
C52 C51 C56 C55 1.0(4) . . . . ?
Si5 C51 C56 C55 -177.9(2) . . . . ?
C54 C55 C56 C51 -1.9(4) . . . . ?
O13 Si6 C61 C66 -1.0(2) . . . . ?
O10 Si6 C61 C66 120.1(2) . . . . ?
O9 Si6 C61 C66 -120.7(2) . . . . ?
O13 Si6 C61 C62 175.2(2) . . . . ?
O10 Si6 C61 C62 -63.7(2) . . . . ?
O9 Si6 C61 C62 55.5(2) . . . . ?
C66 C61 C62 C63 0.4(4) . . . . ?
Si6 C61 C62 C63 -176.0(2) . . . . ?
C61 C62 C63 C64 0.7(5) . . . . ?
C62 C63 C64 C65 -0.8(5) . . . . ?
C63 C64 C65 C66 -0.2(5) . . . . ?
C64 C65 C66 C61 1.2(4) . . . . ?
C62 C61 C66 C65 -1.3(4) . . . . ?
Si6 C61 C66 C65 175.1(2) . . . . ?
O6 Si7 C71 C72 -156.2(2) . . . . ?
O3 Si7 C71 C72 -36.8(3) . . . . ?
O10 Si7 C71 C72 83.0(2) . . . . ?
O6 Si7 C71 C76 22.2(2) . . . . ?
O3 Si7 C71 C76 141.6(2) . . . . ?
O10 Si7 C71 C76 -98.6(2) . . . . ?
C76 C71 C72 C73 -1.0(5) . . . . ?
Si7 C71 C72 C73 177.5(3) . . . . ?
C71 C72 C73 C74 0.5(6) . . . . ?
C72 C73 C74 C75 0.3(6) . . . . ?
C73 C74 C75 C76 -0.4(5) . . . . ?
C74 C75 C76 C71 -0.2(4) . . . . ?
C72 C71 C76 C75 0.9(4) . . . . ?
Si7 C71 C76 C75 -177.6(2) . . . . ?
O12 Si8 C81 C86 -12.9(3) . . . . ?
O7 Si8 C81 C86 108.7(2) . . . . ?
O5 Si8 C81 C86 -132.0(2) . . . . ?
O12 Si8 C81 C82 168.0(2) . . . . ?
O7 Si8 C81 C82 -70.3(3) . . . . ?
O5 Si8 C81 C82 48.9(3) . . . . ?
C86 C81 C82 C83 0.3(5) . . . . ?
Si8 C81 C82 C83 179.4(3) . . . . ?
C81 C82 C83 C84 -0.3(5) . . . . ?
C82 C83 C84 C85 0.1(5) . . . . ?
C83 C84 C85 C86 0.2(5) . . . . ?
C82 C81 C86 C85 0.0(5) . . . . ?
Si8 C81 C86 C85 -179.2(3) . . . . ?
C84 C85 C86 C81 -0.2(5) . . . . ?
O13 Si9 C92 C93 3.9(8) . . . . ?
O12 Si9 C92 C93 121.8(7) . . . . ?
C91 Si9 C92 C93 -117.7(9) . . . . ?
O13 Si9 C92A C93A -44(3) . . . . ?
O12 Si9 C92A C93A -166(2) . . . . ?
C91A Si9 C92A C93A 70(3) . . . . ?

_refine_diff_density_max         0.441
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.058

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_database_code_depnum_ccdc_archive 'CCDC 2058969'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2021-01-26 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H58 O13 Si10'
_chemical_formula_sum            'C56 H58 O13 Si10'
_chemical_formula_weight         1219.92

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P n'
_space_group_name_Hall           'P -2yac'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'

_cell_length_a                   10.98072(18)
_cell_length_b                   10.69865(19)
_cell_length_c                   26.0350(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.2833(16)
_cell_angle_gamma                90
_cell_volume                     2999.45(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    10250
_cell_measurement_theta_min      3.7060
_cell_measurement_theta_max      26.9240

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_F_000             1276
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    0.280
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.99525
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            19596
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.307
_diffrn_reflns_theta_max         27.074
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.726
_diffrn_reflns_point_group_measured_fraction_full 0.805
_reflns_number_total             9591
_reflns_number_gt                9264
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.568
_reflns_Friedel_fraction_max     0.526
_reflns_Friedel_fraction_full    0.613

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²+0.9440P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3276 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.38(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         9591
_refine_ls_number_parameters     716
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0715
_refine_ls_wR_factor_gt          0.0702
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.70439(7) 0.65482(8) 0.52776(3) 0.01359(16) Uani 1 1 d . . . . .
Si2 Si 0.45846(7) 0.56836(8) 0.55913(3) 0.01319(16) Uani 1 1 d . . . . .
Si3 Si 0.32366(7) 0.62975(8) 0.44321(3) 0.01375(16) Uani 1 1 d . . . . .
Si4 Si 0.57729(7) 0.69594(8) 0.41482(3) 0.01356(16) Uani 1 1 d . . . . .
Si5 Si 0.50264(7) 0.78929(8) 0.63644(3) 0.01405(16) Uani 1 1 d . . . . .
Si6 Si 0.62278(7) 0.92651(8) 0.55559(3) 0.01402(16) Uani 1 1 d . . . . .
Si7 Si 0.50709(7) 0.97297(8) 0.43902(3) 0.01399(16) Uani 1 1 d . . . . .
Si8 Si 0.23450(7) 0.89187(8) 0.40259(3) 0.01490(17) Uani 1 1 d . . . . .
Si9 Si 0.04268(8) 0.97317(8) 0.46624(3) 0.01925(18) Uani 1 1 d . . . . .
Si10 Si 0.35385(8) 0.85226(8) 0.72176(3) 0.01653(17) Uani 1 1 d . . . . .
O1 O 0.60079(18) 0.5737(2) 0.54978(8) 0.0173(4) Uani 1 1 d . . . . .
O2 O 0.67984(19) 0.64480(19) 0.46413(8) 0.0156(4) Uani 1 1 d . . . . .
O3 O 0.44505(19) 0.6311(2) 0.41595(8) 0.0184(4) Uani 1 1 d . . . . .
O4 O 0.36755(19) 0.6098(2) 0.50553(8) 0.0176(4) Uani 1 1 d . . . . .
O5 O 0.5634(2) 0.8458(2) 0.41927(8) 0.0181(4) Uani 1 1 d . . . . .
O6 O 0.25294(19) 0.7624(2) 0.43604(8) 0.0181(4) Uani 1 1 d . . . . .
O7 O 0.69377(19) 0.7999(2) 0.54420(8) 0.0172(4) Uani 1 1 d . . . . .
O8 O 0.44384(19) 0.6643(2) 0.60571(8) 0.0171(4) Uani 1 1 d . . . . .
O9 O 0.35843(19) 0.9773(2) 0.41860(8) 0.0195(5) Uani 1 1 d . . . . .
O10 O 0.53493(19) 0.9770(2) 0.50226(8) 0.0183(4) Uani 1 1 d . . . . .
O11 O 0.53188(19) 0.8940(2) 0.59555(8) 0.0172(4) Uani 1 1 d . . . . .
O12 O 0.40065(19) 0.8500(2) 0.66555(8) 0.0193(5) Uani 1 1 d . . . . .
O13 O 0.1179(2) 0.9651(2) 0.41685(8) 0.0212(5) Uani 1 1 d . . . . .
C11 C 0.8612(3) 0.5981(3) 0.55647(12) 0.0174(6) Uani 1 1 d . . . . .
C12 C 0.9356(3) 0.5319(3) 0.52803(13) 0.0246(7) Uani 1 1 d . . . . .
H12 H 0.9041 0.5125 0.4923 0.029 Uiso 1 1 calc R U . . .
C13 C 1.0548(3) 0.4940(4) 0.55114(15) 0.0329(8) Uani 1 1 d . . . . .
H13 H 1.1041 0.4491 0.5312 0.040 Uiso 1 1 calc R U . . .
C14 C 1.1016(3) 0.5216(4) 0.60310(14) 0.0329(8) Uani 1 1 d . . . . .
H14 H 1.1838 0.4975 0.6186 0.039 Uiso 1 1 calc R U . . .
C15 C 1.0290(3) 0.5844(4) 0.63285(14) 0.0290(8) Uani 1 1 d . . . . .
H15 H 1.0604 0.6010 0.6689 0.035 Uiso 1 1 calc R U . . .
C16 C 0.9097(3) 0.6230(3) 0.60943(12) 0.0233(7) Uani 1 1 d . . . . .
H16 H 0.8605 0.6669 0.6297 0.028 Uiso 1 1 calc R U . . .
C21 C 0.4164(3) 0.4091(3) 0.57691(12) 0.0156(6) Uani 1 1 d . . . . .
C22 C 0.3806(3) 0.3200(3) 0.53738(13) 0.0231(7) Uani 1 1 d . . . . .
H22 H 0.3796 0.3423 0.5020 0.028 Uiso 1 1 calc R U . . .
C23 C 0.3466(3) 0.1999(3) 0.54883(14) 0.0292(8) Uani 1 1 d . . . . .
H23 H 0.3227 0.1409 0.5214 0.035 Uiso 1 1 calc R U . . .
C24 C 0.3476(3) 0.1658(3) 0.60030(14) 0.0267(7) Uani 1 1 d . . . . .
H24 H 0.3249 0.0834 0.6083 0.032 Uiso 1 1 calc R U . . .
C25 C 0.3817(3) 0.2525(3) 0.63995(13) 0.0265(7) Uani 1 1 d . . . . .
H25 H 0.3824 0.2296 0.6753 0.032 Uiso 1 1 calc R U . . .
C26 C 0.4149(3) 0.3730(3) 0.62835(12) 0.0212(7) Uani 1 1 d . . . . .
H26 H 0.4371 0.4320 0.6559 0.025 Uiso 1 1 calc R U . . .
C31 C 0.2214(3) 0.5035(3) 0.41232(11) 0.0177(6) Uani 1 1 d . . . . .
C32 C 0.0946(3) 0.5051(3) 0.41406(13) 0.0251(7) Uani 1 1 d . . . . .
H32 H 0.0615 0.5728 0.4306 0.030 Uiso 1 1 calc R U . . .
C33 C 0.0164(3) 0.4084(4) 0.39174(15) 0.0356(9) Uani 1 1 d . . . . .
H33 H -0.0697 0.4109 0.3926 0.043 Uiso 1 1 calc R U . . .
C34 C 0.0648(4) 0.3099(4) 0.36858(14) 0.0419(11) Uani 1 1 d . . . . .
H34 H 0.0119 0.2433 0.3541 0.050 Uiso 1 1 calc R U . . .
C35 C 0.1889(4) 0.3061(4) 0.36602(16) 0.0455(11) Uani 1 1 d . . . . .
H35 H 0.2209 0.2380 0.3493 0.055 Uiso 1 1 calc R U . . .
C36 C 0.2670(4) 0.4026(4) 0.38804(15) 0.0341(9) Uani 1 1 d . . . . .
H36 H 0.3527 0.3996 0.3865 0.041 Uiso 1 1 calc R U . . .
C41 C 0.6230(3) 0.6576(3) 0.35209(11) 0.0171(6) Uani 1 1 d . . . . .
C42 C 0.7468(3) 0.6470(3) 0.34702(13) 0.0244(7) Uani 1 1 d . . . . .
H42 H 0.8111 0.6549 0.3771 0.029 Uiso 1 1 calc R U . . .
C43 C 0.7773(3) 0.6248(4) 0.29816(14) 0.0305(8) Uani 1 1 d . . . . .
H43 H 0.8619 0.6162 0.2954 0.037 Uiso 1 1 calc R U . . .
C44 C 0.6848(4) 0.6155(3) 0.25388(13) 0.0309(8) Uani 1 1 d . . . . .
H44 H 0.7059 0.6026 0.2206 0.037 Uiso 1 1 calc R U . . .
C45 C 0.5620(4) 0.6248(3) 0.25817(12) 0.0294(8) Uani 1 1 d . . . . .
H45 H 0.4982 0.6172 0.2279 0.035 Uiso 1 1 calc R U . . .
C46 C 0.5315(3) 0.6454(3) 0.30712(12) 0.0241(7) Uani 1 1 d . . . . .
H46 H 0.4466 0.6512 0.3098 0.029 Uiso 1 1 calc R U . . .
C51 C 0.6475(3) 0.7446(3) 0.68242(11) 0.0174(6) Uani 1 1 d . . . . .
C52 C 0.6690(3) 0.6233(3) 0.70149(13) 0.0261(7) Uani 1 1 d . . . . .
H52 H 0.6078 0.5610 0.6904 0.031 Uiso 1 1 calc R U . . .
C53 C 0.7773(3) 0.5906(4) 0.73632(15) 0.0337(9) Uani 1 1 d . . . . .
H53 H 0.7893 0.5074 0.7490 0.040 Uiso 1 1 calc R U . . .
C54 C 0.8675(3) 0.6805(4) 0.75227(14) 0.0302(8) Uani 1 1 d . . . . .
H54 H 0.9420 0.6588 0.7758 0.036 Uiso 1 1 calc R U . . .
C55 C 0.8495(3) 0.8009(3) 0.73404(13) 0.0285(8) Uani 1 1 d . . . . .
H55 H 0.9115 0.8623 0.7451 0.034 Uiso 1 1 calc R U . . .
C56 C 0.7407(3) 0.8333(3) 0.69943(12) 0.0237(7) Uani 1 1 d . . . . .
H56 H 0.7293 0.9170 0.6871 0.028 Uiso 1 1 calc R U . . .
C61 C 0.7387(3) 1.0473(3) 0.58178(11) 0.0184(6) Uani 1 1 d . . . . .
C62 C 0.8651(3) 1.0177(3) 0.59596(12) 0.0259(7) Uani 1 1 d . . . . .
H62 H 0.8920 0.9339 0.5936 0.031 Uiso 1 1 calc R U . . .
C63 C 0.9515(4) 1.1118(4) 0.61359(14) 0.0369(9) Uani 1 1 d . . . . .
H63 H 1.0371 1.0914 0.6234 0.044 Uiso 1 1 calc R U . . .
C64 C 0.9135(4) 1.2343(4) 0.61680(14) 0.0368(10) Uani 1 1 d . . . . .
H64 H 0.9730 1.2979 0.6283 0.044 Uiso 1 1 calc R U . . .
C65 C 0.7895(4) 1.2640(4) 0.60339(14) 0.0349(9) Uani 1 1 d . . . . .
H65 H 0.7635 1.3480 0.6061 0.042 Uiso 1 1 calc R U . . .
C66 C 0.7016(3) 1.1714(3) 0.58575(12) 0.0260(7) Uani 1 1 d . . . . .
H66 H 0.6162 1.1928 0.5764 0.031 Uiso 1 1 calc R U . . .
C71 C 0.5771(3) 1.1072(3) 0.41160(12) 0.0162(6) Uani 1 1 d . . . . .
C72 C 0.6077(3) 1.0993(3) 0.36199(12) 0.0240(7) Uani 1 1 d . . . . .
H72 H 0.5977 1.0220 0.3437 0.029 Uiso 1 1 calc R U . . .
C73 C 0.6521(3) 1.2020(3) 0.33908(13) 0.0268(7) Uani 1 1 d . . . . .
H73 H 0.6719 1.1948 0.3053 0.032 Uiso 1 1 calc R U . . .
C74 C 0.6679(3) 1.3149(3) 0.36530(13) 0.0255(7) Uani 1 1 d . . . . .
H74 H 0.6964 1.3859 0.3491 0.031 Uiso 1 1 calc R U . . .
C75 C 0.6423(4) 1.3246(3) 0.41469(14) 0.0298(8) Uani 1 1 d . . . . .
H75 H 0.6559 1.4015 0.4332 0.036 Uiso 1 1 calc R U . . .
C76 C 0.5963(3) 1.2216(3) 0.43770(13) 0.0267(7) Uani 1 1 d . . . . .
H76 H 0.5778 1.2295 0.4717 0.032 Uiso 1 1 calc R U . . .
C81 C 0.2120(3) 0.8481(3) 0.33253(11) 0.0177(6) Uani 1 1 d . . . . .
C82 C 0.1263(3) 0.7549(3) 0.31337(12) 0.0243(7) Uani 1 1 d . . . . .
H82 H 0.0763 0.7206 0.3358 0.029 Uiso 1 1 calc R U . . .
C83 C 0.1122(4) 0.7111(4) 0.26282(13) 0.0306(8) Uani 1 1 d . . . . .
H83 H 0.0528 0.6478 0.2507 0.037 Uiso 1 1 calc R U . . .
C84 C 0.1849(3) 0.7598(3) 0.22944(12) 0.0297(8) Uani 1 1 d . . . . .
H84 H 0.1749 0.7305 0.1944 0.036 Uiso 1 1 calc R U . . .
C85 C 0.2715(3) 0.8506(3) 0.24753(13) 0.0280(8) Uani 1 1 d . . . . .
H85 H 0.3228 0.8825 0.2251 0.034 Uiso 1 1 calc R U . . .
C86 C 0.2845(3) 0.8960(3) 0.29832(12) 0.0229(7) Uani 1 1 d . . . . .
H86 H 0.3431 0.9603 0.3100 0.027 Uiso 1 1 calc R U . . .
C91 C -0.0014(5) 1.1382(4) 0.47374(16) 0.0498(13) Uani 1 1 d . . . . .
H91A H 0.0736 1.1883 0.4855 0.075 Uiso 1 1 calc R U . . .
H91B H -0.0549 1.1436 0.4997 0.075 Uiso 1 1 calc R U . . .
H91C H -0.0463 1.1701 0.4400 0.075 Uiso 1 1 calc R U . . .
C92 C -0.0966(3) 0.8742(4) 0.45113(16) 0.0382(9) Uani 1 1 d . . . . .
H92A H -0.1469 0.8993 0.4174 0.057 Uiso 1 1 calc R U . . .
H92B H -0.1454 0.8840 0.4786 0.057 Uiso 1 1 calc R U . . .
H92C H -0.0717 0.7866 0.4494 0.057 Uiso 1 1 calc R U . . .
C93 C 0.1481(4) 0.9136(4) 0.52585(14) 0.0334(8) Uani 1 1 d . . . . .
H93 H 0.2267 0.9534 0.5346 0.040 Uiso 1 1 calc R U . . .
C94 C 0.1294(4) 0.8291(4) 0.55560(18) 0.0497(11) Uani 1 1 d . . . . .
H94A H 0.0526 0.7855 0.5491 0.060 Uiso 1 1 calc R U . . .
H94B H 0.1918 0.8077 0.5850 0.060 Uiso 1 1 calc R U . . .
C101 C 0.3436(3) 0.6863(3) 0.74150(14) 0.0275(7) Uani 1 1 d . . . . .
H10A H 0.2871 0.6410 0.7139 0.041 Uiso 1 1 calc R U . . .
H10B H 0.3121 0.6822 0.7742 0.041 Uiso 1 1 calc R U . . .
H10C H 0.4263 0.6481 0.7468 0.041 Uiso 1 1 calc R U . . .
C102 C 0.4666(4) 0.9440(4) 0.76969(13) 0.0326(8) Uani 1 1 d . . . . .
H10D H 0.5460 0.8994 0.7777 0.049 Uiso 1 1 calc R U . . .
H10E H 0.4342 0.9551 0.8019 0.049 Uiso 1 1 calc R U . . .
H10F H 0.4790 1.0260 0.7548 0.049 Uiso 1 1 calc R U . . .
C103 C 0.1998(3) 0.9301(3) 0.70939(13) 0.0276(7) Uani 1 1 d . . . . .
H103 H 0.1356 0.8949 0.6836 0.033 Uiso 1 1 calc R U . . .
C104 C 0.1738(4) 1.0320(4) 0.73441(16) 0.0400(10) Uani 1 1 d . . . . .
H10G H 0.2360 1.0693 0.7604 0.048 Uiso 1 1 calc R U . . .
H10H H 0.0930 1.0675 0.7263 0.048 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O7 1.621(2) . ?
Si1 O1 1.622(2) . ?
Si1 O2 1.629(2) . ?
Si1 C11 1.841(3) . ?
Si2 O4 1.611(2) . ?
Si2 O8 1.621(2) . ?
Si2 O1 1.629(2) . ?
Si2 C21 1.848(3) . ?
Si3 O6 1.611(2) . ?
Si3 O4 1.614(2) . ?
Si3 O3 1.628(2) . ?
Si3 C31 1.838(3) . ?
Si4 O3 1.615(2) . ?
Si4 O5 1.617(2) . ?
Si4 O2 1.628(2) . ?
Si4 C41 1.846(3) . ?
Si5 O12 1.607(2) . ?
Si5 O11 1.620(2) . ?
Si5 O8 1.625(2) . ?
Si5 C51 1.857(3) . ?
Si6 O11 1.614(2) . ?
Si6 O7 1.619(2) . ?
Si6 O10 1.620(2) . ?
Si6 C61 1.848(3) . ?
Si7 O10 1.615(2) . ?
Si7 O9 1.616(2) . ?
Si7 O5 1.620(2) . ?
Si7 C71 1.838(3) . ?
Si8 O13 1.605(2) . ?
Si8 O9 1.625(2) . ?
Si8 O6 1.628(2) . ?
Si8 C81 1.852(3) . ?
Si9 O13 1.661(2) . ?
Si9 C92 1.838(4) . ?
Si9 C91 1.851(4) . ?
Si9 C93 1.858(4) . ?
Si10 O12 1.643(2) . ?
Si10 C103 1.856(4) . ?
Si10 C102 1.857(4) . ?
Si10 C101 1.858(3) . ?
C11 C12 1.398(4) . ?
C11 C16 1.403(4) . ?
C12 C13 1.390(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.382(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.397(4) . ?
C21 C22 1.402(4) . ?
C22 C23 1.386(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.392(5) . ?
C31 C32 1.402(4) . ?
C32 C33 1.397(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.372(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.377(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.392(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.392(4) . ?
C41 C42 1.396(4) . ?
C42 C43 1.397(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.379(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.397(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.393(5) . ?
C51 C56 1.402(4) . ?
C52 C53 1.392(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.384(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.374(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.392(5) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.398(5) . ?
C61 C62 1.400(5) . ?
C62 C63 1.398(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.382(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.375(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.396(5) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C76 1.396(4) . ?
C71 C72 1.399(4) . ?
C72 C73 1.384(5) . ?
C72 H72 0.9500 . ?
C73 C74 1.382(5) . ?
C73 H73 0.9500 . ?
C74 C75 1.373(5) . ?
C74 H74 0.9500 . ?
C75 C76 1.395(5) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C82 1.395(5) . ?
C81 C86 1.403(4) . ?
C82 C83 1.377(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.391(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.377(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.389(5) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.233(6) . ?
C93 H93 0.9500 . ?
C94 H94A 0.9500 . ?
C94 H94B 0.9500 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.330(5) . ?
C103 H103 0.9500 . ?
C104 H10G 0.9500 . ?
C104 H10H 0.9500 . ?

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
O7 Si1 O1 109.12(11) . . ?
O7 Si1 O2 109.00(11) . . ?
O1 Si1 O2 109.64(11) . . ?
O7 Si1 C11 108.57(13) . . ?
O1 Si1 C11 110.19(12) . . ?
O2 Si1 C11 110.29(13) . . ?
O4 Si2 O8 109.80(11) . . ?
O4 Si2 O1 108.12(11) . . ?
O8 Si2 O1 109.16(12) . . ?
O4 Si2 C21 109.13(12) . . ?
O8 Si2 C21 109.29(13) . . ?
O1 Si2 C21 111.33(12) . . ?
O6 Si3 O4 106.00(11) . . ?
O6 Si3 O3 111.02(11) . . ?
O4 Si3 O3 109.30(11) . . ?
O6 Si3 C31 110.93(13) . . ?
O4 Si3 C31 112.29(13) . . ?
O3 Si3 C31 107.34(13) . . ?
O3 Si4 O5 109.09(12) . . ?
O3 Si4 O2 109.09(11) . . ?
O5 Si4 O2 109.70(11) . . ?
O3 Si4 C41 108.77(13) . . ?
O5 Si4 C41 109.23(12) . . ?
O2 Si4 C41 110.94(13) . . ?
O12 Si5 O11 106.05(12) . . ?
O12 Si5 O8 108.54(12) . . ?
O11 Si5 O8 110.86(11) . . ?
O12 Si5 C51 112.86(12) . . ?
O11 Si5 C51 110.29(13) . . ?
O8 Si5 C51 108.25(13) . . ?
O11 Si6 O7 108.58(12) . . ?
O11 Si6 O10 106.53(11) . . ?
O7 Si6 O10 110.43(11) . . ?
O11 Si6 C61 112.39(12) . . ?
O7 Si6 C61 109.32(13) . . ?
O10 Si6 C61 109.55(13) . . ?
O10 Si7 O9 108.19(11) . . ?
O10 Si7 O5 109.76(11) . . ?
O9 Si7 O5 110.12(12) . . ?
O10 Si7 C71 111.41(13) . . ?
O9 Si7 C71 108.79(13) . . ?
O5 Si7 C71 108.57(13) . . ?
O13 Si8 O9 109.40(12) . . ?
O13 Si8 O6 108.23(12) . . ?
O9 Si8 O6 109.35(12) . . ?
O13 Si8 C81 113.09(13) . . ?
O9 Si8 C81 109.79(13) . . ?
O6 Si8 C81 106.89(13) . . ?
O13 Si9 C92 108.85(16) . . ?
O13 Si9 C91 108.14(15) . . ?
C92 Si9 C91 110.4(2) . . ?
O13 Si9 C93 107.81(15) . . ?
C92 Si9 C93 109.71(18) . . ?
C91 Si9 C93 111.9(2) . . ?
O12 Si10 C103 106.58(13) . . ?
O12 Si10 C102 108.84(15) . . ?
C103 Si10 C102 110.16(18) . . ?
O12 Si10 C101 106.17(14) . . ?
C103 Si10 C101 111.97(16) . . ?
C102 Si10 C101 112.81(17) . . ?
Si1 O1 Si2 146.20(15) . . ?
Si4 O2 Si1 136.99(14) . . ?
Si4 O3 Si3 145.86(14) . . ?
Si2 O4 Si3 156.91(15) . . ?
Si4 O5 Si7 154.55(15) . . ?
Si3 O6 Si8 144.94(15) . . ?
Si6 O7 Si1 155.78(15) . . ?
Si2 O8 Si5 143.26(14) . . ?
Si7 O9 Si8 144.09(16) . . ?
Si7 O10 Si6 145.77(15) . . ?
Si6 O11 Si5 143.07(15) . . ?
Si5 O12 Si10 142.58(15) . . ?
Si8 O13 Si9 138.12(14) . . ?
C12 C11 C16 117.9(3) . . ?
C12 C11 Si1 123.3(2) . . ?
C16 C11 Si1 118.8(2) . . ?
C13 C12 C11 121.1(3) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 119.5(3) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C15 C16 C11 121.1(3) . . ?
C15 C16 H16 119.4 . . ?
C11 C16 H16 119.4 . . ?
C26 C21 C22 117.5(3) . . ?
C26 C21 Si2 123.1(2) . . ?
C22 C21 Si2 119.4(2) . . ?
C23 C22 C21 121.4(3) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 120.0(3) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 119.6(3) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C36 C31 C32 118.2(3) . . ?
C36 C31 Si3 121.7(3) . . ?
C32 C31 Si3 120.1(2) . . ?
C33 C32 C31 120.7(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C34 C35 121.1(3) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C34 C35 C36 119.6(4) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C35 C36 C31 121.0(4) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C46 C41 C42 118.0(3) . . ?
C46 C41 Si4 119.2(2) . . ?
C42 C41 Si4 122.7(2) . . ?
C41 C42 C43 120.7(3) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C44 C43 C42 120.2(3) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 119.9(3) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C41 C46 C45 121.3(3) . . ?
C41 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?
C52 C51 C56 117.2(3) . . ?
C52 C51 Si5 122.2(2) . . ?
C56 C51 Si5 120.6(2) . . ?
C53 C52 C51 121.9(3) . . ?
C53 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
C54 C53 C52 119.4(3) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C55 C54 C53 120.1(3) . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C54 C55 C56 120.3(3) . . ?
C54 C55 H55 119.8 . . ?
C56 C55 H55 119.8 . . ?
C55 C56 C51 121.1(3) . . ?
C55 C56 H56 119.5 . . ?
C51 C56 H56 119.5 . . ?
C66 C61 C62 118.9(3) . . ?
C66 C61 Si6 120.1(2) . . ?
C62 C61 Si6 121.0(2) . . ?
C63 C62 C61 119.9(3) . . ?
C63 C62 H62 120.1 . . ?
C61 C62 H62 120.1 . . ?
C64 C63 C62 120.6(4) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C65 C64 C63 119.9(3) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.4(4) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C65 C66 C61 120.3(3) . . ?
C65 C66 H66 119.8 . . ?
C61 C66 H66 119.8 . . ?
C76 C71 C72 117.5(3) . . ?
C76 C71 Si7 122.1(2) . . ?
C72 C71 Si7 120.3(2) . . ?
C73 C72 C71 121.2(3) . . ?
C73 C72 H72 119.4 . . ?
C71 C72 H72 119.4 . . ?
C74 C73 C72 120.1(3) . . ?
C74 C73 H73 119.9 . . ?
C72 C73 H73 119.9 . . ?
C75 C74 C73 120.0(3) . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.0(3) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 121.1(3) . . ?
C75 C76 H76 119.4 . . ?
C71 C76 H76 119.4 . . ?
C82 C81 C86 117.5(3) . . ?
C82 C81 Si8 118.9(2) . . ?
C86 C81 Si8 123.4(2) . . ?
C83 C82 C81 121.8(3) . . ?
C83 C82 H82 119.1 . . ?
C81 C82 H82 119.1 . . ?
C82 C83 C84 119.9(3) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C85 C84 C83 119.5(3) . . ?
C85 C84 H84 120.2 . . ?
C83 C84 H84 120.2 . . ?
C84 C85 C86 120.5(3) . . ?
C84 C85 H85 119.7 . . ?
C86 C85 H85 119.7 . . ?
C85 C86 C81 120.8(3) . . ?
C85 C86 H86 119.6 . . ?
C81 C86 H86 119.6 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
Si9 C92 H92A 109.5 . . ?
Si9 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
Si9 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 Si9 128.6(4) . . ?
C94 C93 H93 115.7 . . ?
Si9 C93 H93 115.7 . . ?
C93 C94 H94A 120.0 . . ?
C93 C94 H94B 120.0 . . ?
H94A C94 H94B 120.0 . . ?
Si10 C101 H10A 109.5 . . ?
Si10 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
Si10 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
Si10 C102 H10D 109.5 . . ?
Si10 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
Si10 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 Si10 123.9(3) . . ?
C104 C103 H103 118.0 . . ?
Si10 C103 H103 118.0 . . ?
C103 C104 H10G 120.0 . . ?
C103 C104 H10H 120.0 . . ?
H10G C104 H10H 120.0 . . ?

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
O7 Si1 O1 Si2 40.6(3) . . . . ?
O2 Si1 O1 Si2 -78.7(3) . . . . ?
C11 Si1 O1 Si2 159.7(2) . . . . ?
O4 Si2 O1 Si1 48.1(3) . . . . ?
O8 Si2 O1 Si1 -71.3(3) . . . . ?
C21 Si2 O1 Si1 167.9(2) . . . . ?
O3 Si4 O2 Si1 -66.3(2) . . . . ?
O5 Si4 O2 Si1 53.1(2) . . . . ?
C41 Si4 O2 Si1 173.88(19) . . . . ?
O7 Si1 O2 Si4 -48.6(2) . . . . ?
O1 Si1 O2 Si4 70.7(2) . . . . ?
C11 Si1 O2 Si4 -167.75(19) . . . . ?
O5 Si4 O3 Si3 -42.7(3) . . . . ?
O2 Si4 O3 Si3 77.1(3) . . . . ?
C41 Si4 O3 Si3 -161.8(2) . . . . ?
O6 Si3 O3 Si4 59.9(3) . . . . ?
O4 Si3 O3 Si4 -56.7(3) . . . . ?
C31 Si3 O3 Si4 -178.7(2) . . . . ?
O8 Si2 O4 Si3 145.2(4) . . . . ?
O1 Si2 O4 Si3 26.2(4) . . . . ?
C21 Si2 O4 Si3 -95.0(4) . . . . ?
O6 Si3 O4 Si2 -140.8(4) . . . . ?
O3 Si3 O4 Si2 -21.1(4) . . . . ?
C31 Si3 O4 Si2 97.9(4) . . . . ?
O3 Si4 O5 Si7 32.9(4) . . . . ?
O2 Si4 O5 Si7 -86.6(3) . . . . ?
C41 Si4 O5 Si7 151.6(3) . . . . ?
O10 Si7 O5 Si4 59.1(4) . . . . ?
O9 Si7 O5 Si4 -59.9(4) . . . . ?
C71 Si7 O5 Si4 -178.9(3) . . . . ?
O4 Si3 O6 Si8 137.4(2) . . . . ?
O3 Si3 O6 Si8 18.8(3) . . . . ?
C31 Si3 O6 Si8 -100.5(3) . . . . ?
O13 Si8 O6 Si3 168.7(2) . . . . ?
O9 Si8 O6 Si3 -72.2(3) . . . . ?
C81 Si8 O6 Si3 46.6(3) . . . . ?
O11 Si6 O7 Si1 51.7(4) . . . . ?
O10 Si6 O7 Si1 -64.7(4) . . . . ?
C61 Si6 O7 Si1 174.7(3) . . . . ?
O1 Si1 O7 Si6 -36.4(4) . . . . ?
O2 Si1 O7 Si6 83.3(4) . . . . ?
C11 Si1 O7 Si6 -156.6(3) . . . . ?
O4 Si2 O8 Si5 -94.9(2) . . . . ?
O1 Si2 O8 Si5 23.5(3) . . . . ?
C21 Si2 O8 Si5 145.4(2) . . . . ?
O12 Si5 O8 Si2 160.4(2) . . . . ?
O11 Si5 O8 Si2 44.3(3) . . . . ?
C51 Si5 O8 Si2 -76.8(3) . . . . ?
O10 Si7 O9 Si8 -90.6(3) . . . . ?
O5 Si7 O9 Si8 29.4(3) . . . . ?
C71 Si7 O9 Si8 148.3(2) . . . . ?
O13 Si8 O9 Si7 148.0(2) . . . . ?
O6 Si8 O9 Si7 29.7(3) . . . . ?
C81 Si8 O9 Si7 -87.3(3) . . . . ?
O9 Si7 O10 Si6 143.1(2) . . . . ?
O5 Si7 O10 Si6 22.9(3) . . . . ?
C71 Si7 O10 Si6 -97.4(3) . . . . ?
O11 Si6 O10 Si7 -137.6(2) . . . . ?
O7 Si6 O10 Si7 -19.9(3) . . . . ?
C61 Si6 O10 Si7 100.6(3) . . . . ?
O7 Si6 O11 Si5 15.7(3) . . . . ?
O10 Si6 O11 Si5 134.6(2) . . . . ?
C61 Si6 O11 Si5 -105.4(3) . . . . ?
O12 Si5 O11 Si6 172.0(2) . . . . ?
O8 Si5 O11 Si6 -70.4(3) . . . . ?
C51 Si5 O11 Si6 49.5(3) . . . . ?
O11 Si5 O12 Si10 -147.4(2) . . . . ?
O8 Si5 O12 Si10 93.5(3) . . . . ?
C51 Si5 O12 Si10 -26.5(3) . . . . ?
C103 Si10 O12 Si5 -167.4(2) . . . . ?
C102 Si10 O12 Si5 73.8(3) . . . . ?
C101 Si10 O12 Si5 -47.9(3) . . . . ?
O9 Si8 O13 Si9 -93.9(2) . . . . ?
O6 Si8 O13 Si9 25.2(3) . . . . ?
C81 Si8 O13 Si9 143.4(2) . . . . ?
C92 Si9 O13 Si8 -98.8(3) . . . . ?
C91 Si9 O13 Si8 141.2(3) . . . . ?
C93 Si9 O13 Si8 20.1(3) . . . . ?
O7 Si1 C11 C12 -132.0(3) . . . . ?
O1 Si1 C11 C12 108.5(3) . . . . ?
O2 Si1 C11 C12 -12.7(3) . . . . ?
O7 Si1 C11 C16 47.5(3) . . . . ?
O1 Si1 C11 C16 -72.0(3) . . . . ?
O2 Si1 C11 C16 166.8(2) . . . . ?
C16 C11 C12 C13 -1.3(5) . . . . ?
Si1 C11 C12 C13 178.2(3) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C12 C13 C14 C15 1.6(6) . . . . ?
C13 C14 C15 C16 -2.0(6) . . . . ?
C14 C15 C16 C11 0.8(5) . . . . ?
C12 C11 C16 C15 0.8(5) . . . . ?
Si1 C11 C16 C15 -178.7(3) . . . . ?
O4 Si2 C21 C26 -140.0(2) . . . . ?
O8 Si2 C21 C26 -19.9(3) . . . . ?
O1 Si2 C21 C26 100.8(3) . . . . ?
O4 Si2 C21 C22 38.2(3) . . . . ?
O8 Si2 C21 C22 158.2(2) . . . . ?
O1 Si2 C21 C22 -81.1(3) . . . . ?
C26 C21 C22 C23 -0.9(5) . . . . ?
Si2 C21 C22 C23 -179.1(3) . . . . ?
C21 C22 C23 C24 0.0(5) . . . . ?
C22 C23 C24 C25 0.5(5) . . . . ?
C23 C24 C25 C26 -0.1(5) . . . . ?
C24 C25 C26 C21 -0.8(5) . . . . ?
C22 C21 C26 C25 1.3(5) . . . . ?
Si2 C21 C26 C25 179.4(3) . . . . ?
O6 Si3 C31 C36 144.9(3) . . . . ?
O4 Si3 C31 C36 -96.7(3) . . . . ?
O3 Si3 C31 C36 23.5(3) . . . . ?
O6 Si3 C31 C32 -36.9(3) . . . . ?
O4 Si3 C31 C32 81.5(3) . . . . ?
O3 Si3 C31 C32 -158.3(2) . . . . ?
C36 C31 C32 C33 -0.4(5) . . . . ?
Si3 C31 C32 C33 -178.6(3) . . . . ?
C31 C32 C33 C34 1.0(5) . . . . ?
C32 C33 C34 C35 -1.4(6) . . . . ?
C33 C34 C35 C36 1.1(7) . . . . ?
C34 C35 C36 C31 -0.5(6) . . . . ?
C32 C31 C36 C35 0.1(5) . . . . ?
Si3 C31 C36 C35 178.3(3) . . . . ?
O3 Si4 C41 C46 33.9(3) . . . . ?
O5 Si4 C41 C46 -85.1(3) . . . . ?
O2 Si4 C41 C46 153.9(2) . . . . ?
O3 Si4 C41 C42 -149.8(3) . . . . ?
O5 Si4 C41 C42 91.2(3) . . . . ?
O2 Si4 C41 C42 -29.8(3) . . . . ?
C46 C41 C42 C43 0.0(5) . . . . ?
Si4 C41 C42 C43 -176.3(3) . . . . ?
C41 C42 C43 C44 1.2(6) . . . . ?
C42 C43 C44 C45 -1.7(6) . . . . ?
C43 C44 C45 C46 0.9(6) . . . . ?
C42 C41 C46 C45 -0.8(5) . . . . ?
Si4 C41 C46 C45 175.7(3) . . . . ?
C44 C45 C46 C41 0.4(5) . . . . ?
O12 Si5 C51 C52 96.3(3) . . . . ?
O11 Si5 C51 C52 -145.3(3) . . . . ?
O8 Si5 C51 C52 -23.8(3) . . . . ?
O12 Si5 C51 C56 -83.6(3) . . . . ?
O11 Si5 C51 C56 34.8(3) . . . . ?
O8 Si5 C51 C56 156.2(2) . . . . ?
C56 C51 C52 C53 0.6(5) . . . . ?
Si5 C51 C52 C53 -179.4(3) . . . . ?
C51 C52 C53 C54 -0.7(6) . . . . ?
C52 C53 C54 C55 0.4(6) . . . . ?
C53 C54 C55 C56 -0.1(6) . . . . ?
C54 C55 C56 C51 -0.1(5) . . . . ?
C52 C51 C56 C55 -0.2(5) . . . . ?
Si5 C51 C56 C55 179.8(3) . . . . ?
O11 Si6 C61 C66 -71.0(3) . . . . ?
O7 Si6 C61 C66 168.3(2) . . . . ?
O10 Si6 C61 C66 47.2(3) . . . . ?
O11 Si6 C61 C62 111.5(2) . . . . ?
O7 Si6 C61 C62 -9.1(3) . . . . ?
O10 Si6 C61 C62 -130.2(2) . . . . ?
C66 C61 C62 C63 -0.2(5) . . . . ?
Si6 C61 C62 C63 177.3(2) . . . . ?
C61 C62 C63 C64 -0.5(5) . . . . ?
C62 C63 C64 C65 1.1(5) . . . . ?
C63 C64 C65 C66 -1.0(5) . . . . ?
C64 C65 C66 C61 0.3(5) . . . . ?
C62 C61 C66 C65 0.2(5) . . . . ?
Si6 C61 C66 C65 -177.2(2) . . . . ?
O10 Si7 C71 C76 -28.4(3) . . . . ?
O9 Si7 C71 C76 90.8(3) . . . . ?
O5 Si7 C71 C76 -149.4(3) . . . . ?
O10 Si7 C71 C72 154.7(2) . . . . ?
O9 Si7 C71 C72 -86.1(3) . . . . ?
O5 Si7 C71 C72 33.7(3) . . . . ?
C76 C71 C72 C73 -1.7(5) . . . . ?
Si7 C71 C72 C73 175.3(3) . . . . ?
C71 C72 C73 C74 0.4(5) . . . . ?
C72 C73 C74 C75 1.6(5) . . . . ?
C73 C74 C75 C76 -2.2(6) . . . . ?
C74 C75 C76 C71 0.8(6) . . . . ?
C72 C71 C76 C75 1.1(5) . . . . ?
Si7 C71 C76 C75 -175.9(3) . . . . ?
O13 Si8 C81 C82 -70.4(3) . . . . ?
O9 Si8 C81 C82 167.1(2) . . . . ?
O6 Si8 C81 C82 48.6(3) . . . . ?
O13 Si8 C81 C86 115.5(3) . . . . ?
O9 Si8 C81 C86 -7.0(3) . . . . ?
O6 Si8 C81 C86 -125.5(3) . . . . ?
C86 C81 C82 C83 -0.3(5) . . . . ?
Si8 C81 C82 C83 -174.8(3) . . . . ?
C81 C82 C83 C84 0.3(6) . . . . ?
C82 C83 C84 C85 0.7(6) . . . . ?
C83 C84 C85 C86 -1.6(5) . . . . ?
C84 C85 C86 C81 1.6(5) . . . . ?
C82 C81 C86 C85 -0.7(5) . . . . ?
Si8 C81 C86 C85 173.6(3) . . . . ?
O13 Si9 C93 C94 -124.9(4) . . . . ?
C92 Si9 C93 C94 -6.5(5) . . . . ?
C91 Si9 C93 C94 116.3(5) . . . . ?
O12 Si10 C103 C104 -122.2(3) . . . . ?
C102 Si10 C103 C104 -4.3(4) . . . . ?
C101 Si10 C103 C104 122.1(3) . . . . ?

_refine_diff_density_max         0.908
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.045

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4b
_database_code_depnum_ccdc_archive 'CCDC 2041828'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H62 O13 Si10'
_chemical_formula_weight         1247.97

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0889(5)
_cell_length_b                   14.6164(5)
_cell_length_c                   20.2859(8)
_cell_angle_alpha                75.800(3)
_cell_angle_beta                 85.746(3)
_cell_angle_gamma                75.825(4)
_cell_volume                     3090.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    9810
_cell_measurement_theta_min      3.5000
_cell_measurement_theta_max      26.5870

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_F_000             1308
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    0.274
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.95634
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43c (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            23022
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_av_R_equivalents  0.0160
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.318
_diffrn_reflns_theta_max         26.698
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11955
_reflns_number_gt                10538
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0321P)²+2.3989P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11955
_refine_ls_number_parameters     734
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0810
_refine_ls_wR_factor_gt          0.0772
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001

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
Si1 Si 0.57881(4) 0.42944(3) 0.19084(2) 0.01139(10) Uani 1 1 d . . . . .
Si2 Si 0.54744(4) 0.24923(3) 0.14188(2) 0.01157(10) Uani 1 1 d . . . . .
Si3 Si 0.33693(4) 0.14429(3) 0.17444(2) 0.01190(10) Uani 1 1 d . . . . .
Si4 Si 0.37960(4) 0.13295(3) 0.32455(2) 0.01090(10) Uani 1 1 d . . . . .
Si5 Si 0.65597(4) 0.11308(3) 0.27966(2) 0.01067(10) Uani 1 1 d . . . . .
Si6 Si 0.67029(4) 0.29299(3) 0.32872(2) 0.01083(10) Uani 1 1 d . . . . .
Si7 Si 0.33928(4) 0.52703(3) 0.26260(2) 0.01171(10) Uani 1 1 d . . . . .
Si8 Si 0.38586(4) 0.32549(3) 0.36748(2) 0.01095(10) Uani 1 1 d . . . . .
Si9 Si 0.07780(4) 0.13732(4) 0.13256(2) 0.01591(11) Uani 1 1 d . . . . .
Si10 Si 0.08644(4) 0.53776(4) 0.20510(2) 0.01615(10) Uani 1 1 d . . . . .
O1 O 0.53591(11) 0.31119(8) 0.36679(6) 0.0151(2) Uani 1 1 d . . . . .
O2 O 0.52711(11) 0.35216(8) 0.16205(6) 0.0156(2) Uani 1 1 d . . . . .
O3 O 0.70489(10) 0.18446(8) 0.31545(6) 0.0141(2) Uani 1 1 d . . . . .
O4 O 0.32608(11) 0.42743(8) 0.31661(6) 0.0151(2) Uani 1 1 d . . . . .
O5 O 0.66590(11) 0.37052(9) 0.25582(6) 0.0158(3) Uani 1 1 d . . . . .
O6 O 0.35303(11) 0.23909(8) 0.34079(6) 0.0151(2) Uani 1 1 d . . . . .
O7 O 0.52860(11) 0.09129(9) 0.31843(6) 0.0154(2) Uani 1 1 d . . . . .
O8 O 0.41208(10) 0.22666(8) 0.13874(6) 0.0141(2) Uani 1 1 d . . . . .
O9 O 0.31187(11) 0.14473(8) 0.25419(6) 0.0144(2) Uani 1 1 d . . . . .
O10 O 0.46122(11) 0.50455(9) 0.21437(6) 0.0171(3) Uani 1 1 d . . . . .
O11 O 0.62714(11) 0.16373(8) 0.20039(6) 0.0146(2) Uani 1 1 d . . . . .
O12 O 0.20603(11) 0.17328(9) 0.13677(6) 0.0159(3) Uani 1 1 d . . . . .
O13 O 0.21682(11) 0.56736(9) 0.21695(6) 0.0168(3) Uani 1 1 d . . . . .
C11 C 0.66712(16) 0.49650(12) 0.12315(8) 0.0143(3) Uani 1 1 d . . . . .
C12 C 0.62153(18) 0.59472(14) 0.09402(10) 0.0236(4) Uani 1 1 d . . . . .
H12 H 0.5492 0.6297 0.1130 0.028 Uiso 1 1 calc R U . . .
C13 C 0.6798(2) 0.64260(16) 0.03781(11) 0.0329(5) Uani 1 1 d . . . . .
H13 H 0.6470 0.7096 0.0187 0.039 Uiso 1 1 calc R U . . .
C14 C 0.7852(2) 0.59304(18) 0.00961(10) 0.0354(5) Uani 1 1 d . . . . .
H14 H 0.8240 0.6255 -0.0294 0.043 Uiso 1 1 calc R U . . .
C15 C 0.8336(2) 0.49635(18) 0.03835(11) 0.0361(5) Uani 1 1 d . . . . .
H15 H 0.9071 0.4623 0.0197 0.043 Uiso 1 1 calc R U . . .
C16 C 0.77499(18) 0.44823(15) 0.09475(11) 0.0264(4) Uani 1 1 d . . . . .
H16 H 0.8091 0.3815 0.1141 0.032 Uiso 1 1 calc R U . . .
C21 C 0.62848(16) 0.24965(14) 0.05919(9) 0.0174(4) Uani 1 1 d . . . . .
C22 C 0.68160(18) 0.16198(15) 0.04130(10) 0.0259(4) Uani 1 1 d . . . . .
H22 H 0.6827 0.1026 0.0737 0.031 Uiso 1 1 calc R U . . .
C23 C 0.7330(2) 0.15994(18) -0.02308(11) 0.0350(5) Uani 1 1 d . . . . .
H23 H 0.7667 0.0995 -0.0347 0.042 Uiso 1 1 calc R U . . .
C24 C 0.7350(2) 0.24545(19) -0.07007(10) 0.0359(5) Uani 1 1 d . . . . .
H24 H 0.7702 0.2440 -0.1140 0.043 Uiso 1 1 calc R U . . .
C25 C 0.68607(19) 0.33258(18) -0.05334(10) 0.0328(5) Uani 1 1 d . . . . .
H25 H 0.6892 0.3914 -0.0855 0.039 Uiso 1 1 calc R U . . .
C26 C 0.63172(18) 0.33542(15) 0.01054(9) 0.0240(4) Uani 1 1 d . . . . .
H26 H 0.5965 0.3963 0.0212 0.029 Uiso 1 1 calc R U . . .
C31 C 0.42743(16) 0.02253(13) 0.16699(9) 0.0158(3) Uani 1 1 d . . . . .
C32 C 0.4770(2) 0.00862(15) 0.10368(10) 0.0295(5) Uani 1 1 d . . . . .
H32 H 0.4637 0.0620 0.0652 0.035 Uiso 1 1 calc R U . . .
C33 C 0.5448(2) -0.08122(17) 0.09590(11) 0.0380(6) Uani 1 1 d . . . . .
H33 H 0.5785 -0.0887 0.0526 0.046 Uiso 1 1 calc R U . . .
C34 C 0.5635(2) -0.16025(15) 0.15134(11) 0.0300(5) Uani 1 1 d . . . . .
H34 H 0.6090 -0.2222 0.1460 0.036 Uiso 1 1 calc R U . . .
C35 C 0.51593(19) -0.14873(14) 0.21427(10) 0.0263(4) Uani 1 1 d . . . . .
H35 H 0.5290 -0.2026 0.2524 0.032 Uiso 1 1 calc R U . . .
C36 C 0.44884(17) -0.05825(13) 0.22181(10) 0.0216(4) Uani 1 1 d . . . . .
H36 H 0.4166 -0.0512 0.2655 0.026 Uiso 1 1 calc R U . . .
C41 C 0.31343(16) 0.04820(12) 0.39185(8) 0.0131(3) Uani 1 1 d . . . . .
C42 C 0.38372(17) -0.01338(13) 0.44650(9) 0.0187(4) Uani 1 1 d . . . . .
H42 H 0.4696 -0.0149 0.4481 0.022 Uiso 1 1 calc R U . . .
C43 C 0.33009(18) -0.07263(14) 0.49880(9) 0.0235(4) Uani 1 1 d . . . . .
H43 H 0.3792 -0.1137 0.5359 0.028 Uiso 1 1 calc R U . . .
C44 C 0.20542(18) -0.07185(13) 0.49684(9) 0.0211(4) Uani 1 1 d . . . . .
H44 H 0.1686 -0.1118 0.5327 0.025 Uiso 1 1 calc R U . . .
C45 C 0.13493(17) -0.01280(14) 0.44261(10) 0.0227(4) Uani 1 1 d . . . . .
H45 H 0.0495 -0.0126 0.4409 0.027 Uiso 1 1 calc R U . . .
C46 C 0.18826(16) 0.04658(13) 0.39037(9) 0.0196(4) Uani 1 1 d . . . . .
H46 H 0.1388 0.0867 0.3531 0.023 Uiso 1 1 calc R U . . .
C51 C 0.77611(15) -0.00037(12) 0.28620(9) 0.0148(3) Uani 1 1 d . . . . .
C52 C 0.77958(17) -0.05867(13) 0.24070(10) 0.0206(4) Uani 1 1 d . . . . .
H52 H 0.7208 -0.0386 0.2052 0.025 Uiso 1 1 calc R U . . .
C53 C 0.86815(18) -0.14591(14) 0.24671(11) 0.0271(4) Uani 1 1 d . . . . .
H53 H 0.8695 -0.1852 0.2155 0.032 Uiso 1 1 calc R U . . .
C54 C 0.95394(18) -0.17523(14) 0.29798(12) 0.0294(5) Uani 1 1 d . . . . .
H54 H 1.0142 -0.2349 0.3021 0.035 Uiso 1 1 calc R U . . .
C55 C 0.95282(19) -0.11847(14) 0.34331(11) 0.0300(5) Uani 1 1 d . . . . .
H55 H 1.0123 -0.1390 0.3785 0.036 Uiso 1 1 calc R U . . .
C56 C 0.86439(17) -0.03116(14) 0.33735(10) 0.0228(4) Uani 1 1 d . . . . .
H56 H 0.8641 0.0080 0.3685 0.027 Uiso 1 1 calc R U . . .
C61 C 0.78834(15) 0.30219(12) 0.38448(8) 0.0132(3) Uani 1 1 d . . . . .
C62 C 0.91525(17) 0.27874(14) 0.36745(10) 0.0217(4) Uani 1 1 d . . . . .
H62 H 0.9401 0.2612 0.3255 0.026 Uiso 1 1 calc R U . . .
C63 C 1.00481(18) 0.28079(15) 0.41067(11) 0.0282(4) Uani 1 1 d . . . . .
H63 H 1.0903 0.2650 0.3982 0.034 Uiso 1 1 calc R U . . .
C64 C 0.97018(19) 0.30581(15) 0.47193(10) 0.0278(4) Uani 1 1 d . . . . .
H64 H 1.0319 0.3073 0.5015 0.033 Uiso 1 1 calc R U . . .
C65 C 0.84594(19) 0.32868(14) 0.49023(10) 0.0254(4) Uani 1 1 d . . . . .
H65 H 0.8222 0.3452 0.5326 0.030 Uiso 1 1 calc R U . . .
C66 C 0.75524(17) 0.32753(13) 0.44647(9) 0.0193(4) Uani 1 1 d . . . . .
H66 H 0.6699 0.3442 0.4591 0.023 Uiso 1 1 calc R U . . .
C71 C 0.35551(16) 0.61752(13) 0.30890(9) 0.0155(3) Uani 1 1 d . . . . .
C72 C 0.28145(17) 0.71189(13) 0.29420(10) 0.0212(4) Uani 1 1 d . . . . .
H72 H 0.2227 0.7309 0.2587 0.025 Uiso 1 1 calc R U . . .
C73 C 0.2920(2) 0.77862(15) 0.33054(11) 0.0291(5) Uani 1 1 d . . . . .
H73 H 0.2400 0.8423 0.3202 0.035 Uiso 1 1 calc R U . . .
C74 C 0.3776(2) 0.75269(16) 0.38150(11) 0.0324(5) Uani 1 1 d . . . . .
H74 H 0.3848 0.7985 0.4062 0.039 Uiso 1 1 calc R U . . .
C75 C 0.4531(2) 0.66014(17) 0.39685(10) 0.0307(5) Uani 1 1 d . . . . .
H75 H 0.5126 0.6424 0.4319 0.037 Uiso 1 1 calc R U . . .
C76 C 0.44198(17) 0.59296(14) 0.36098(9) 0.0225(4) Uani 1 1 d . . . . .
H76 H 0.4939 0.5293 0.3720 0.027 Uiso 1 1 calc R U . . .
C81 C 0.32257(15) 0.32353(13) 0.45439(8) 0.0145(3) Uani 1 1 d . . . . .
C82 C 0.33423(17) 0.23545(13) 0.50272(9) 0.0195(4) Uani 1 1 d . . . . .
H82 H 0.3736 0.1767 0.4901 0.023 Uiso 1 1 calc R U . . .
C83 C 0.28946(19) 0.23208(15) 0.56887(9) 0.0251(4) Uani 1 1 d . . . . .
H83 H 0.2987 0.1716 0.6011 0.030 Uiso 1 1 calc R U . . .
C84 C 0.2313(2) 0.31733(16) 0.58747(10) 0.0279(5) Uani 1 1 d . . . . .
H84 H 0.2004 0.3153 0.6326 0.033 Uiso 1 1 calc R U . . .
C85 C 0.2180(2) 0.40531(16) 0.54072(10) 0.0294(5) Uani 1 1 d . . . . .
H85 H 0.1781 0.4637 0.5538 0.035 Uiso 1 1 calc R U . . .
C86 C 0.26307(18) 0.40867(14) 0.47453(9) 0.0221(4) Uani 1 1 d . . . . .
H86 H 0.2533 0.4695 0.4426 0.027 Uiso 1 1 calc R U . . .
C91 C -0.03983(19) 0.18674(16) 0.19255(11) 0.0293(5) Uani 1 1 d . . . . .
H91A H -0.0174 0.1510 0.2393 0.044 Uiso 1 1 calc R U . . .
H91B H -0.1217 0.1797 0.1825 0.044 Uiso 1 1 calc R U . . .
H91C H -0.0425 0.2556 0.1876 0.044 Uiso 1 1 calc R U . . .
C92 C 0.1101(2) 0.00309(14) 0.15557(10) 0.0277(4) Uani 1 1 d . . . . .
H92A H 0.1774 -0.0232 0.1264 0.042 Uiso 1 1 calc R U . . .
H92B H 0.0350 -0.0177 0.1493 0.042 Uiso 1 1 calc R U . . .
H92C H 0.1351 -0.0209 0.2032 0.042 Uiso 1 1 calc R U . . .
C93 C 0.02529(18) 0.18872(15) 0.04287(9) 0.0259(4) Uani 1 1 d . . . . .
H93A H -0.0528 0.1701 0.0375 0.031 Uiso 1 1 calc R U . . .
H93B H 0.0070 0.2605 0.0334 0.031 Uiso 1 1 calc R U . . .
C94 C 0.1192(2) 0.15500(15) -0.00802(10) 0.0293(5) Uani 1 1 d . . . . .
H94 H 0.1932 0.1781 -0.0133 0.035 Uiso 1 1 calc R U . . .
C95 C 0.1092(3) 0.09646(18) -0.04619(12) 0.0430(6) Uani 1 1 d . . . . .
H95A H 0.0370 0.0715 -0.0427 0.052 Uiso 1 1 calc R U . . .
H95B H 0.1743 0.0791 -0.0772 0.052 Uiso 1 1 calc R U . . .
C101 C 0.1227(2) 0.41229(16) 0.19342(13) 0.0364(5) Uani 1 1 d . . . . .
H10A H 0.1848 0.4062 0.1568 0.055 Uiso 1 1 calc R U . . .
H10B H 0.0468 0.3973 0.1816 0.055 Uiso 1 1 calc R U . . .
H10C H 0.1559 0.3668 0.2357 0.055 Uiso 1 1 calc R U . . .
C102 C 0.01170(19) 0.62610(16) 0.12933(10) 0.0292(5) Uani 1 1 d . . . . .
H10D H -0.0003 0.6921 0.1357 0.044 Uiso 1 1 calc R U . . .
H10E H -0.0692 0.6139 0.1229 0.044 Uiso 1 1 calc R U . . .
H10F H 0.0648 0.6192 0.0892 0.044 Uiso 1 1 calc R U . . .
C103 C -0.01611(18) 0.54864(15) 0.28180(10) 0.0251(4) Uani 1 1 d . . . . .
H10G H 0.0239 0.5000 0.3219 0.030 Uiso 1 1 calc R U . . .
H10H H -0.0248 0.6138 0.2903 0.030 Uiso 1 1 calc R U . . .
C104 C -0.14333(19) 0.53381(16) 0.27385(11) 0.0302(5) Uani 1 1 d . . . . .
H104 H -0.1503 0.4687 0.2804 0.036 Uiso 1 1 calc R U . . .
C105 C -0.24467(19) 0.60152(16) 0.25888(10) 0.0296(5) Uani 1 1 d . . . . .
H10I H -0.2424 0.6678 0.2519 0.035 Uiso 1 1 calc R U . . .
H10J H -0.3209 0.5847 0.2550 0.035 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O10 1.6116(12) . ?
Si1 O2 1.6236(12) . ?
Si1 O5 1.6237(12) . ?
Si1 C11 1.8481(17) . ?
Si2 O2 1.6136(12) . ?
Si2 O8 1.6226(12) . ?
Si2 O11 1.6244(12) . ?
Si2 C21 1.8426(17) . ?
Si3 O12 1.6047(12) . ?
Si3 O9 1.6224(12) . ?
Si3 O8 1.6255(12) . ?
Si3 C31 1.8526(18) . ?
Si4 O9 1.6143(12) . ?
Si4 O6 1.6171(12) . ?
Si4 O7 1.6218(12) . ?
Si4 C41 1.8448(17) . ?
Si5 O11 1.6162(12) . ?
Si5 O3 1.6178(12) . ?
Si5 O7 1.6271(12) . ?
Si5 C51 1.8381(17) . ?
Si6 O1 1.6197(12) . ?
Si6 O3 1.6224(12) . ?
Si6 O5 1.6233(12) . ?
Si6 C61 1.8416(17) . ?
Si7 O13 1.6050(12) . ?
Si7 O10 1.6239(12) . ?
Si7 O4 1.6246(12) . ?
Si7 C71 1.8481(18) . ?
Si8 O4 1.6086(12) . ?
Si8 O6 1.6158(12) . ?
Si8 O1 1.6248(12) . ?
Si8 C81 1.8447(17) . ?
Si9 O12 1.6467(12) . ?
Si9 C91 1.854(2) . ?
Si9 C92 1.851(2) . ?
Si9 C93 1.8670(19) . ?
Si10 O13 1.6565(13) . ?
Si10 C102 1.8461(19) . ?
Si10 C101 1.849(2) . ?
Si10 C103 1.873(2) . ?
C11 C12 1.392(3) . ?
C11 C16 1.394(3) . ?
C12 C13 1.388(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.377(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.394(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.396(3) . ?
C21 C26 1.399(3) . ?
C22 C23 1.390(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.370(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.394(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.395(3) . ?
C31 C32 1.400(3) . ?
C32 C33 1.384(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.394(2) . ?
C41 C46 1.397(2) . ?
C42 C43 1.392(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(2) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C56 1.394(2) . ?
C51 C52 1.394(3) . ?
C52 C53 1.391(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.378(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.379(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.391(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.395(2) . ?
C61 C62 1.402(2) . ?
C62 C63 1.383(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.382(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.381(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.396(3) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.395(3) . ?
C71 C76 1.400(2) . ?
C72 C73 1.389(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.375(3) . ?
C73 H73 0.9500 . ?
C74 C75 1.380(3) . ?
C74 H74 0.9500 . ?
C75 C76 1.390(3) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C82 1.398(2) . ?
C81 C86 1.399(2) . ?
C82 C83 1.389(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.383(3) . ?
C83 H83 0.9500 . ?
C84 C85 1.380(3) . ?
C84 H84 0.9500 . ?
C85 C86 1.391(3) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.494(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.314(3) . ?
C94 H94 0.9500 . ?
C95 H95A 0.9500 . ?
C95 H95B 0.9500 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.505(3) . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?
C104 C105 1.301(3) . ?
C104 H104 0.9500 . ?
C105 H10I 0.9500 . ?
C105 H10J 0.9500 . ?

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
O10 Si1 O2 108.23(7) . . ?
O10 Si1 O5 109.65(7) . . ?
O2 Si1 O5 108.51(6) . . ?
O10 Si1 C11 109.49(7) . . ?
O2 Si1 C11 109.85(7) . . ?
O5 Si1 C11 111.07(7) . . ?
O2 Si2 O8 108.25(6) . . ?
O2 Si2 O11 109.60(6) . . ?
O8 Si2 O11 108.01(6) . . ?
O2 Si2 C21 111.96(7) . . ?
O8 Si2 C21 109.56(7) . . ?
O11 Si2 C21 109.37(7) . . ?
O12 Si3 O9 109.12(6) . . ?
O12 Si3 O8 106.89(6) . . ?
O9 Si3 O8 109.60(6) . . ?
O12 Si3 C31 111.33(7) . . ?
O9 Si3 C31 109.34(7) . . ?
O8 Si3 C31 110.53(7) . . ?
O9 Si4 O6 107.76(6) . . ?
O9 Si4 O7 111.21(6) . . ?
O6 Si4 O7 109.00(6) . . ?
O9 Si4 C41 108.01(7) . . ?
O6 Si4 C41 111.09(7) . . ?
O7 Si4 C41 109.76(7) . . ?
O11 Si5 O3 110.45(6) . . ?
O11 Si5 O7 109.13(6) . . ?
O3 Si5 O7 108.39(6) . . ?
O11 Si5 C51 109.24(7) . . ?
O3 Si5 C51 109.15(7) . . ?
O7 Si5 C51 110.47(7) . . ?
O1 Si6 O3 109.19(6) . . ?
O1 Si6 O5 110.15(6) . . ?
O3 Si6 O5 108.45(6) . . ?
O1 Si6 C61 108.69(7) . . ?
O3 Si6 C61 108.63(7) . . ?
O5 Si6 C61 111.68(7) . . ?
O13 Si7 O10 109.75(7) . . ?
O13 Si7 O4 108.38(6) . . ?
O10 Si7 O4 109.49(6) . . ?
O13 Si7 C71 110.11(7) . . ?
O10 Si7 C71 109.43(7) . . ?
O4 Si7 C71 109.66(7) . . ?
O4 Si8 O6 108.69(6) . . ?
O4 Si8 O1 108.70(6) . . ?
O6 Si8 O1 109.22(6) . . ?
O4 Si8 C81 110.31(7) . . ?
O6 Si8 C81 109.70(7) . . ?
O1 Si8 C81 110.18(7) . . ?
O12 Si9 C91 109.02(8) . . ?
O12 Si9 C92 110.11(8) . . ?
C91 Si9 C92 109.44(10) . . ?
O12 Si9 C93 105.39(8) . . ?
C91 Si9 C93 110.80(10) . . ?
C92 Si9 C93 111.98(9) . . ?
O13 Si10 C102 107.24(8) . . ?
O13 Si10 C101 109.59(9) . . ?
C102 Si10 C101 111.53(11) . . ?
O13 Si10 C103 107.71(8) . . ?
C102 Si10 C103 109.75(9) . . ?
C101 Si10 C103 110.88(10) . . ?
Si6 O1 Si8 151.14(8) . . ?
Si2 O2 Si1 151.14(8) . . ?
Si5 O3 Si6 143.02(8) . . ?
Si8 O4 Si7 151.35(8) . . ?
Si6 O5 Si1 143.76(8) . . ?
Si8 O6 Si4 155.79(8) . . ?
Si4 O7 Si5 144.71(8) . . ?
Si2 O8 Si3 139.15(8) . . ?
Si4 O9 Si3 143.55(8) . . ?
Si1 O10 Si7 150.68(8) . . ?
Si5 O11 Si2 150.42(8) . . ?
Si3 O12 Si9 143.54(8) . . ?
Si7 O13 Si10 140.55(8) . . ?
C12 C11 C16 117.64(16) . . ?
C12 C11 Si1 121.11(14) . . ?
C16 C11 Si1 120.93(14) . . ?
C13 C12 C11 121.29(19) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 120.2(2) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 119.65(18) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.2(2) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 121.05(19) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
C22 C21 C26 117.55(17) . . ?
C22 C21 Si2 119.81(14) . . ?
C26 C21 Si2 122.48(15) . . ?
C23 C22 C21 121.2(2) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C24 C23 C22 120.0(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 119.96(19) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C26 120.4(2) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.8(2) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
C36 C31 C32 117.08(17) . . ?
C36 C31 Si3 123.24(13) . . ?
C32 C31 Si3 119.67(14) . . ?
C33 C32 C31 121.49(19) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 119.97(19) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 119.82(18) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 119.89(18) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 121.74(17) . . ?
C35 C36 H36 119.1 . . ?
C31 C36 H36 119.1 . . ?
C42 C41 C46 117.81(15) . . ?
C42 C41 Si4 122.00(13) . . ?
C46 C41 Si4 120.15(13) . . ?
C43 C42 C41 121.06(17) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C44 C43 C42 120.12(17) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 119.68(17) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C44 C45 C46 120.29(17) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.01(16) . . ?
C45 C46 H46 119.5 . . ?
C41 C46 H46 119.5 . . ?
C56 C51 C52 118.39(16) . . ?
C56 C51 Si5 120.98(14) . . ?
C52 C51 Si5 120.62(13) . . ?
C53 C52 C51 120.75(18) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C54 C53 C52 119.85(19) . . ?
C54 C53 H53 120.1 . . ?
C52 C53 H53 120.1 . . ?
C53 C54 C55 120.44(18) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 H54 119.8 . . ?
C54 C55 C56 119.80(19) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C55 C56 C51 120.77(18) . . ?
C55 C56 H56 119.6 . . ?
C51 C56 H56 119.6 . . ?
C66 C61 C62 117.90(16) . . ?
C66 C61 Si6 121.28(13) . . ?
C62 C61 Si6 120.73(13) . . ?
C63 C62 C61 121.08(18) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C64 C63 C62 120.14(18) . . ?
C64 C63 H63 119.9 . . ?
C62 C63 H63 119.9 . . ?
C65 C64 C63 120.05(17) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 119.96(18) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 120.85(17) . . ?
C65 C66 H66 119.6 . . ?
C61 C66 H66 119.6 . . ?
C72 C71 C76 117.56(17) . . ?
C72 C71 Si7 121.61(14) . . ?
C76 C71 Si7 120.82(14) . . ?
C73 C72 C71 121.18(18) . . ?
C73 C72 H72 119.4 . . ?
C71 C72 H72 119.4 . . ?
C74 C73 C72 120.14(19) . . ?
C74 C73 H73 119.9 . . ?
C72 C73 H73 119.9 . . ?
C73 C74 C75 120.08(19) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 C76 119.90(19) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 121.13(19) . . ?
C75 C76 H76 119.4 . . ?
C71 C76 H76 119.4 . . ?
C82 C81 C86 117.83(16) . . ?
C82 C81 Si8 120.21(13) . . ?
C86 C81 Si8 121.96(13) . . ?
C83 C82 C81 121.38(17) . . ?
C83 C82 H82 119.3 . . ?
C81 C82 H82 119.3 . . ?
C84 C83 C82 119.60(18) . . ?
C84 C83 H83 120.2 . . ?
C82 C83 H83 120.2 . . ?
C85 C84 C83 120.27(17) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.11(18) . . ?
C84 C85 H85 119.9 . . ?
C86 C85 H85 119.9 . . ?
C85 C86 C81 120.81(17) . . ?
C85 C86 H86 119.6 . . ?
C81 C86 H86 119.6 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
Si9 C92 H92A 109.5 . . ?
Si9 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
Si9 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 Si9 113.16(14) . . ?
C94 C93 H93A 108.9 . . ?
Si9 C93 H93A 108.9 . . ?
C94 C93 H93B 108.9 . . ?
Si9 C93 H93B 108.9 . . ?
H93A C93 H93B 107.8 . . ?
C95 C94 C93 126.2(2) . . ?
C95 C94 H94 116.9 . . ?
C93 C94 H94 116.9 . . ?
C94 C95 H95A 120.0 . . ?
C94 C95 H95B 120.0 . . ?
H95A C95 H95B 120.0 . . ?
Si10 C101 H10A 109.5 . . ?
Si10 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
Si10 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
Si10 C102 H10D 109.5 . . ?
Si10 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
Si10 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 Si10 112.66(14) . . ?
C104 C103 H10G 109.1 . . ?
Si10 C103 H10G 109.1 . . ?
C104 C103 H10H 109.1 . . ?
Si10 C103 H10H 109.1 . . ?
H10G C103 H10H 107.8 . . ?
C105 C104 C103 126.3(2) . . ?
C105 C104 H104 116.8 . . ?
C103 C104 H104 116.8 . . ?
C104 C105 H10I 120.0 . . ?
C104 C105 H10J 120.0 . . ?
H10I C105 H10J 120.0 . . ?

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
O3 Si6 O1 Si8 -67.20(18) . . . . ?
O5 Si6 O1 Si8 51.79(19) . . . . ?
C61 Si6 O1 Si8 174.45(16) . . . . ?
O4 Si8 O1 Si6 -68.31(18) . . . . ?
O6 Si8 O1 Si6 50.13(18) . . . . ?
C81 Si8 O1 Si6 170.70(16) . . . . ?
O8 Si2 O2 Si1 161.00(15) . . . . ?
O11 Si2 O2 Si1 43.43(18) . . . . ?
C21 Si2 O2 Si1 -78.13(18) . . . . ?
O10 Si1 O2 Si2 -160.89(15) . . . . ?
O5 Si1 O2 Si2 -41.97(18) . . . . ?
C11 Si1 O2 Si2 79.62(18) . . . . ?
O11 Si5 O3 Si6 54.19(14) . . . . ?
O7 Si5 O3 Si6 -65.32(14) . . . . ?
C51 Si5 O3 Si6 174.31(12) . . . . ?
O1 Si6 O3 Si5 57.14(14) . . . . ?
O5 Si6 O3 Si5 -62.91(14) . . . . ?
C61 Si6 O3 Si5 175.52(12) . . . . ?
O6 Si8 O4 Si7 -118.33(17) . . . . ?
O1 Si8 O4 Si7 0.45(19) . . . . ?
C81 Si8 O4 Si7 121.36(17) . . . . ?
O13 Si7 O4 Si8 158.18(16) . . . . ?
O10 Si7 O4 Si8 38.48(19) . . . . ?
C71 Si7 O4 Si8 -81.60(18) . . . . ?
O1 Si6 O5 Si1 -36.62(16) . . . . ?
O3 Si6 O5 Si1 82.82(15) . . . . ?
C61 Si6 O5 Si1 -157.50(13) . . . . ?
O10 Si1 O5 Si6 65.37(15) . . . . ?
O2 Si1 O5 Si6 -52.65(15) . . . . ?
C11 Si1 O5 Si6 -173.49(13) . . . . ?
O4 Si8 O6 Si4 140.62(19) . . . . ?
O1 Si8 O6 Si4 22.2(2) . . . . ?
C81 Si8 O6 Si4 -98.7(2) . . . . ?
O9 Si4 O6 Si8 -142.50(19) . . . . ?
O7 Si4 O6 Si8 -21.7(2) . . . . ?
C41 Si4 O6 Si8 99.4(2) . . . . ?
O9 Si4 O7 Si5 62.97(15) . . . . ?
O6 Si4 O7 Si5 -55.69(15) . . . . ?
C41 Si4 O7 Si5 -177.57(13) . . . . ?
O11 Si5 O7 Si4 -39.11(16) . . . . ?
O3 Si5 O7 Si4 81.22(15) . . . . ?
C51 Si5 O7 Si4 -159.24(13) . . . . ?
O2 Si2 O8 Si3 -120.92(12) . . . . ?
O11 Si2 O8 Si3 -2.33(14) . . . . ?
C21 Si2 O8 Si3 116.73(12) . . . . ?
O12 Si3 O8 Si2 -175.32(11) . . . . ?
O9 Si3 O8 Si2 66.55(13) . . . . ?
C31 Si3 O8 Si2 -54.02(14) . . . . ?
O6 Si4 O9 Si3 107.62(13) . . . . ?
O7 Si4 O9 Si3 -11.79(16) . . . . ?
C41 Si4 O9 Si3 -132.29(13) . . . . ?
O12 Si3 O9 Si4 -174.68(12) . . . . ?
O8 Si3 O9 Si4 -57.95(15) . . . . ?
C31 Si3 O9 Si4 63.34(15) . . . . ?
O2 Si1 O10 Si7 61.85(19) . . . . ?
O5 Si1 O10 Si7 -56.34(19) . . . . ?
C11 Si1 O10 Si7 -178.43(16) . . . . ?
O13 Si7 O10 Si1 -115.94(17) . . . . ?
O4 Si7 O10 Si1 2.9(2) . . . . ?
C71 Si7 O10 Si1 123.12(17) . . . . ?
O3 Si5 O11 Si2 -64.43(18) . . . . ?
O7 Si5 O11 Si2 54.63(18) . . . . ?
C51 Si5 O11 Si2 175.51(15) . . . . ?
O2 Si2 O11 Si5 42.52(18) . . . . ?
O8 Si2 O11 Si5 -75.20(17) . . . . ?
C21 Si2 O11 Si5 165.62(16) . . . . ?
O9 Si3 O12 Si9 -65.86(15) . . . . ?
O8 Si3 O12 Si9 175.70(13) . . . . ?
C31 Si3 O12 Si9 54.91(16) . . . . ?
C91 Si9 O12 Si3 91.07(15) . . . . ?
C92 Si9 O12 Si3 -29.01(17) . . . . ?
C93 Si9 O12 Si3 -149.95(14) . . . . ?
O10 Si7 O13 Si10 115.73(13) . . . . ?
O4 Si7 O13 Si10 -3.80(15) . . . . ?
C71 Si7 O13 Si10 -123.74(13) . . . . ?
C102 Si10 O13 Si7 -171.71(13) . . . . ?
C101 Si10 O13 Si7 -50.49(16) . . . . ?
C103 Si10 O13 Si7 70.22(15) . . . . ?
O10 Si1 C11 C12 -7.91(17) . . . . ?
O2 Si1 C11 C12 110.81(15) . . . . ?
O5 Si1 C11 C12 -129.14(14) . . . . ?
O10 Si1 C11 C16 178.81(14) . . . . ?
O2 Si1 C11 C16 -62.47(16) . . . . ?
O5 Si1 C11 C16 57.58(16) . . . . ?
C16 C11 C12 C13 1.3(3) . . . . ?
Si1 C11 C12 C13 -172.18(15) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C13 C14 C15 -1.3(3) . . . . ?
C13 C14 C15 C16 1.4(3) . . . . ?
C14 C15 C16 C11 -0.1(3) . . . . ?
C12 C11 C16 C15 -1.2(3) . . . . ?
Si1 C11 C16 C15 172.29(16) . . . . ?
O2 Si2 C21 C22 163.94(14) . . . . ?
O8 Si2 C21 C22 -75.96(16) . . . . ?
O11 Si2 C21 C22 42.25(16) . . . . ?
O2 Si2 C21 C26 -20.85(17) . . . . ?
O8 Si2 C21 C26 99.26(15) . . . . ?
O11 Si2 C21 C26 -142.53(14) . . . . ?
C26 C21 C22 C23 -1.6(3) . . . . ?
Si2 C21 C22 C23 173.83(15) . . . . ?
C21 C22 C23 C24 1.7(3) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C24 C25 C26 -1.4(3) . . . . ?
C24 C25 C26 C21 1.4(3) . . . . ?
C22 C21 C26 C25 0.1(3) . . . . ?
Si2 C21 C26 C25 -175.23(15) . . . . ?
O12 Si3 C31 C36 -110.15(15) . . . . ?
O9 Si3 C31 C36 10.49(17) . . . . ?
O8 Si3 C31 C36 131.22(15) . . . . ?
O12 Si3 C31 C32 69.26(16) . . . . ?
O9 Si3 C31 C32 -170.09(14) . . . . ?
O8 Si3 C31 C32 -49.36(17) . . . . ?
C36 C31 C32 C33 -0.4(3) . . . . ?
Si3 C31 C32 C33 -179.82(18) . . . . ?
C31 C32 C33 C34 0.9(4) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C33 C34 C35 C36 0.4(3) . . . . ?
C34 C35 C36 C31 0.1(3) . . . . ?
C32 C31 C36 C35 -0.2(3) . . . . ?
Si3 C31 C36 C35 179.27(15) . . . . ?
O9 Si4 C41 C42 147.97(14) . . . . ?
O6 Si4 C41 C42 -94.05(15) . . . . ?
O7 Si4 C41 C42 26.57(16) . . . . ?
O9 Si4 C41 C46 -34.23(16) . . . . ?
O6 Si4 C41 C46 83.75(15) . . . . ?
O7 Si4 C41 C46 -155.63(14) . . . . ?
C46 C41 C42 C43 -1.7(3) . . . . ?
Si4 C41 C42 C43 176.17(14) . . . . ?
C41 C42 C43 C44 0.6(3) . . . . ?
C42 C43 C44 C45 0.6(3) . . . . ?
C43 C44 C45 C46 -0.7(3) . . . . ?
C44 C45 C46 C41 -0.4(3) . . . . ?
C42 C41 C46 C45 1.6(3) . . . . ?
Si4 C41 C46 C45 -176.33(14) . . . . ?
O11 Si5 C51 C56 145.06(14) . . . . ?
O3 Si5 C51 C56 24.20(16) . . . . ?
O7 Si5 C51 C56 -94.88(15) . . . . ?
O11 Si5 C51 C52 -36.13(16) . . . . ?
O3 Si5 C51 C52 -156.99(14) . . . . ?
O7 Si5 C51 C52 83.93(15) . . . . ?
C56 C51 C52 C53 0.7(3) . . . . ?
Si5 C51 C52 C53 -178.15(14) . . . . ?
C51 C52 C53 C54 -0.2(3) . . . . ?
C52 C53 C54 C55 -0.2(3) . . . . ?
C53 C54 C55 C56 0.1(3) . . . . ?
C54 C55 C56 C51 0.3(3) . . . . ?
C52 C51 C56 C55 -0.7(3) . . . . ?
Si5 C51 C56 C55 178.08(15) . . . . ?
O1 Si6 C61 C66 -3.78(16) . . . . ?
O3 Si6 C61 C66 -122.49(14) . . . . ?
O5 Si6 C61 C66 117.95(14) . . . . ?
O1 Si6 C61 C62 172.75(13) . . . . ?
O3 Si6 C61 C62 54.05(15) . . . . ?
O5 Si6 C61 C62 -65.52(16) . . . . ?
C66 C61 C62 C63 -0.1(3) . . . . ?
Si6 C61 C62 C63 -176.74(15) . . . . ?
C61 C62 C63 C64 0.3(3) . . . . ?
C62 C63 C64 C65 0.1(3) . . . . ?
C63 C64 C65 C66 -0.7(3) . . . . ?
C64 C65 C66 C61 0.9(3) . . . . ?
C62 C61 C66 C65 -0.5(3) . . . . ?
Si6 C61 C66 C65 176.15(14) . . . . ?
O13 Si7 C71 C72 -10.42(17) . . . . ?
O10 Si7 C71 C72 110.30(15) . . . . ?
O4 Si7 C71 C72 -129.58(14) . . . . ?
O13 Si7 C71 C76 168.63(13) . . . . ?
O10 Si7 C71 C76 -70.65(15) . . . . ?
O4 Si7 C71 C76 49.46(16) . . . . ?
C76 C71 C72 C73 -0.9(3) . . . . ?
Si7 C71 C72 C73 178.22(14) . . . . ?
C71 C72 C73 C74 0.8(3) . . . . ?
C72 C73 C74 C75 -0.2(3) . . . . ?
C73 C74 C75 C76 -0.4(3) . . . . ?
C74 C75 C76 C71 0.3(3) . . . . ?
C72 C71 C76 C75 0.3(3) . . . . ?
Si7 C71 C76 C75 -178.81(15) . . . . ?
O4 Si8 C81 C82 162.80(13) . . . . ?
O6 Si8 C81 C82 43.10(16) . . . . ?
O1 Si8 C81 C82 -77.18(15) . . . . ?
O4 Si8 C81 C86 -17.84(17) . . . . ?
O6 Si8 C81 C86 -137.54(15) . . . . ?
O1 Si8 C81 C86 102.17(15) . . . . ?
C86 C81 C82 C83 -0.6(3) . . . . ?
Si8 C81 C82 C83 178.79(14) . . . . ?
C81 C82 C83 C84 0.4(3) . . . . ?
C82 C83 C84 C85 -0.2(3) . . . . ?
C83 C84 C85 C86 0.1(3) . . . . ?
C84 C85 C86 C81 -0.2(3) . . . . ?
C82 C81 C86 C85 0.5(3) . . . . ?
Si8 C81 C86 C85 -178.89(15) . . . . ?
O12 Si9 C93 C94 59.50(16) . . . . ?
C91 Si9 C93 C94 177.29(15) . . . . ?
C92 Si9 C93 C94 -60.22(17) . . . . ?
Si9 C93 C94 C95 110.9(2) . . . . ?
O13 Si10 C103 C104 173.88(13) . . . . ?
C102 Si10 C103 C104 57.45(17) . . . . ?
C101 Si10 C103 C104 -66.22(17) . . . . ?
Si10 C103 C104 C105 -101.1(2) . . . . ?

_refine_diff_density_max         0.401
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.050

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1b
_database_code_depnum_ccdc_archive 'CCDC 2041826'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H64 Cl2 O13 Si10'
_chemical_formula_weight         1320.89

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2359(4)
_cell_length_b                   14.4348(4)
_cell_length_c                   20.6432(6)
_cell_angle_alpha                104.503(3)
_cell_angle_beta                 91.243(2)
_cell_angle_gamma                100.119(3)
_cell_volume                     3183.38(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    10283
_cell_measurement_theta_min      3.5460
_cell_measurement_theta_max      26.8440

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_F_000             1380
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.351
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.80019
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            23840
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.188
_diffrn_reflns_theta_max         26.813
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             12340
_reflns_number_gt                10651
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0357P)²+2.1385P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12340
_refine_ls_number_parameters     789
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0344
_refine_ls_wR_factor_ref         0.0885
_refine_ls_wR_factor_gt          0.0839
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.38253(4) 0.86155(4) 0.32303(3) 0.01087(11) Uani 1 1 d . . . . .
Si2 Si 0.68494(4) 0.70543(4) 0.33796(3) 0.01072(11) Uani 1 1 d . . . . .
Si3 Si 0.35894(5) 0.47127(4) 0.26261(3) 0.01106(11) Uani 1 1 d . . . . .
Si4 Si 0.59248(5) 0.56032(4) 0.20395(3) 0.01100(11) Uani 1 1 d . . . . .
Si5 Si 0.53807(5) 0.73376(4) 0.14998(3) 0.01184(11) Uani 1 1 d . . . . .
Si6 Si 0.40912(4) 0.67271(4) 0.36892(3) 0.01040(11) Uani 1 1 d . . . . .
Si7 Si 0.65013(4) 0.87995(4) 0.28556(3) 0.01108(11) Uani 1 1 d . . . . .
Si8 Si 0.32328(5) 0.84089(4) 0.17414(3) 0.01251(11) Uani 1 1 d . . . . .
Si9 Si 0.11880(5) 0.47630(4) 0.18692(3) 0.01506(12) Uani 1 1 d . . . . .
Si10 Si 0.05402(5) 0.82681(4) 0.13002(3) 0.02206(13) Uani 1 1 d . . . . .
O1 O 0.52475(11) 0.90320(9) 0.31844(7) 0.0147(3) Uani 1 1 d . . . . .
O2 O 0.30597(11) 0.84792(10) 0.25316(6) 0.0147(3) Uani 1 1 d . . . . .
O3 O 0.62005(12) 0.82133(9) 0.20751(6) 0.0148(3) Uani 1 1 d . . . . .
O4 O 0.52715(11) 0.63211(9) 0.17138(7) 0.0145(3) Uani 1 1 d . . . . .
O5 O 0.48929(11) 0.48939(9) 0.23130(7) 0.0146(3) Uani 1 1 d . . . . .
O6 O 0.70839(11) 0.81414(9) 0.32639(6) 0.0136(3) Uani 1 1 d . . . . .
O7 O 0.55561(11) 0.68500(10) 0.36968(6) 0.0141(3) Uani 1 1 d . . . . .
O8 O 0.68525(11) 0.62825(9) 0.26597(6) 0.0140(3) Uani 1 1 d . . . . .
O9 O 0.36744(11) 0.75555(9) 0.33836(6) 0.0144(3) Uani 1 1 d . . . . .
O10 O 0.34908(12) 0.56662(9) 0.32257(6) 0.0143(3) Uani 1 1 d . . . . .
O11 O 0.40321(11) 0.75812(9) 0.14489(6) 0.0144(3) Uani 1 1 d . . . . .
O12 O 0.25294(12) 0.45366(9) 0.20522(6) 0.0149(3) Uani 1 1 d . . . . .
O13 O 0.19287(12) 0.80674(10) 0.13386(7) 0.0175(3) Uani 1 1 d . . . . .
C11 C 0.31881(17) 0.94649(13) 0.38940(9) 0.0126(4) Uani 1 1 d . . . . .
C12 C 0.19302(18) 0.93645(15) 0.39115(10) 0.0195(4) Uani 1 1 d . . . . .
H12 H 0.1424 0.8888 0.3567 0.023 Uiso 1 1 calc R U . . .
C13 C 0.14074(19) 0.99494(16) 0.44243(11) 0.0228(5) Uani 1 1 d . . . . .
H13 H 0.0550 0.9869 0.4428 0.027 Uiso 1 1 calc R U . . .
C14 C 0.21309(19) 1.06460(15) 0.49275(10) 0.0217(5) Uani 1 1 d . . . . .
H14 H 0.1773 1.1041 0.5280 0.026 Uiso 1 1 calc R U . . .
C15 C 0.3375(2) 1.07673(16) 0.49166(11) 0.0241(5) Uani 1 1 d . . . . .
H15 H 0.3873 1.1252 0.5260 0.029 Uiso 1 1 calc R U . . .
C16 C 0.39036(18) 1.01824(15) 0.44043(10) 0.0180(4) Uani 1 1 d . . . . .
H16 H 0.4761 1.0272 0.4402 0.022 Uiso 1 1 calc R U . . .
C21 C 0.80502(17) 0.69905(14) 0.39814(9) 0.0139(4) Uani 1 1 d . . . . .
C22 C 0.92728(18) 0.72850(15) 0.38841(11) 0.0203(4) Uani 1 1 d . . . . .
H22 H 0.9486 0.7506 0.3498 0.024 Uiso 1 1 calc R U . . .
C23 C 1.01782(19) 0.72583(17) 0.43445(12) 0.0278(5) Uani 1 1 d . . . . .
H23 H 1.1004 0.7459 0.4271 0.033 Uiso 1 1 calc R U . . .
C24 C 0.9882(2) 0.69417(17) 0.49088(12) 0.0295(5) Uani 1 1 d . . . . .
H24 H 1.0504 0.6923 0.5222 0.035 Uiso 1 1 calc R U . . .
C25 C 0.8679(2) 0.66521(17) 0.50169(11) 0.0266(5) Uani 1 1 d . . . . .
H25 H 0.8473 0.6435 0.5405 0.032 Uiso 1 1 calc R U . . .
C26 C 0.77717(19) 0.66781(15) 0.45579(10) 0.0194(4) Uani 1 1 d . . . . .
H26 H 0.6948 0.6480 0.4637 0.023 Uiso 1 1 calc R U . . .
C31 C 0.34121(17) 0.36409(14) 0.29798(9) 0.0135(4) Uani 1 1 d . . . . .
C32 C 0.41026(18) 0.36447(15) 0.35547(10) 0.0185(4) Uani 1 1 d . . . . .
H32 H 0.4722 0.4190 0.3748 0.022 Uiso 1 1 calc R U . . .
C33 C 0.3900(2) 0.28693(16) 0.38464(11) 0.0239(5) Uani 1 1 d . . . . .
H33 H 0.4376 0.2887 0.4237 0.029 Uiso 1 1 calc R U . . .
C34 C 0.30003(19) 0.20670(16) 0.35665(11) 0.0242(5) Uani 1 1 d . . . . .
H34 H 0.2851 0.1540 0.3770 0.029 Uiso 1 1 calc R U . . .
C35 C 0.23211(19) 0.20342(15) 0.29917(12) 0.0236(5) Uani 1 1 d . . . . .
H35 H 0.1719 0.1478 0.2794 0.028 Uiso 1 1 calc R U . . .
C36 C 0.25210(17) 0.28174(14) 0.27038(10) 0.0176(4) Uani 1 1 d . . . . .
H36 H 0.2043 0.2793 0.2312 0.021 Uiso 1 1 calc R U . . .
C41 C 0.67040(16) 0.48497(14) 0.13921(9) 0.0127(4) Uani 1 1 d . . . . .
C42 C 0.76954(18) 0.52542(15) 0.10866(10) 0.0177(4) Uani 1 1 d . . . . .
H42 H 0.8061 0.5920 0.1260 0.021 Uiso 1 1 calc R U . . .
C43 C 0.81485(18) 0.46933(16) 0.05329(10) 0.0213(4) Uani 1 1 d . . . . .
H43 H 0.8818 0.4979 0.0330 0.026 Uiso 1 1 calc R U . . .
C44 C 0.76333(19) 0.37228(16) 0.02749(10) 0.0211(4) Uani 1 1 d . . . . .
H44 H 0.7935 0.3346 -0.0110 0.025 Uiso 1 1 calc R U . . .
C45 C 0.66771(19) 0.33030(15) 0.05803(11) 0.0227(5) Uani 1 1 d . . . . .
H45 H 0.6332 0.2632 0.0412 0.027 Uiso 1 1 calc R U . . .
C46 C 0.62221(18) 0.38627(14) 0.11333(10) 0.0174(4) Uani 1 1 d . . . . .
H46 H 0.5567 0.3566 0.1340 0.021 Uiso 1 1 calc R U . . .
C51 C 0.60580(17) 0.72693(15) 0.06870(10) 0.0156(4) Uani 1 1 d . . . . .
C52 C 0.60747(18) 0.63792(16) 0.02243(10) 0.0202(4) Uani 1 1 d . . . . .
H52 H 0.5788 0.5788 0.0343 0.024 Uiso 1 1 calc R U . . .
C53 C 0.65052(19) 0.63466(18) -0.04063(11) 0.0264(5) Uani 1 1 d . . . . .
H53 H 0.6525 0.5737 -0.0712 0.032 Uiso 1 1 calc R U . . .
C54 C 0.69039(19) 0.71992(19) -0.05881(11) 0.0282(5) Uani 1 1 d . . . . .
H54 H 0.7183 0.7175 -0.1022 0.034 Uiso 1 1 calc R U . . .
C55 C 0.6899(2) 0.80860(18) -0.01427(11) 0.0276(5) Uani 1 1 d . . . . .
H55 H 0.7172 0.8672 -0.0270 0.033 Uiso 1 1 calc R U . . .
C56 C 0.64927(18) 0.81238(16) 0.04945(11) 0.0218(5) Uani 1 1 d . . . . .
H56 H 0.6511 0.8738 0.0803 0.026 Uiso 1 1 calc R U . . .
C61 C 0.36060(16) 0.68478(14) 0.45490(9) 0.0132(4) Uani 1 1 d . . . . .
C62 C 0.33548(18) 0.60351(15) 0.48146(10) 0.0178(4) Uani 1 1 d . . . . .
H62 H 0.3389 0.5406 0.4540 0.021 Uiso 1 1 calc R U . . .
C63 C 0.30573(19) 0.61402(16) 0.54750(10) 0.0215(5) Uani 1 1 d . . . . .
H63 H 0.2892 0.5584 0.5649 0.026 Uiso 1 1 calc R U . . .
C64 C 0.30004(18) 0.70498(16) 0.58804(10) 0.0210(4) Uani 1 1 d . . . . .
H64 H 0.2807 0.7119 0.6334 0.025 Uiso 1 1 calc R U . . .
C65 C 0.32244(18) 0.78604(15) 0.56270(10) 0.0188(4) Uani 1 1 d . . . . .
H65 H 0.3174 0.8485 0.5903 0.023 Uiso 1 1 calc R U . . .
C66 C 0.35226(17) 0.77568(14) 0.49666(10) 0.0152(4) Uani 1 1 d . . . . .
H66 H 0.3673 0.8316 0.4795 0.018 Uiso 1 1 calc R U . . .
C71 C 0.75908(17) 0.99387(14) 0.29252(9) 0.0138(4) Uani 1 1 d . . . . .
C72 C 0.85689(18) 1.02404(15) 0.34031(11) 0.0207(4) Uani 1 1 d . . . . .
H72 H 0.8695 0.9838 0.3689 0.025 Uiso 1 1 calc R U . . .
C73 C 0.9363(2) 1.11182(16) 0.34695(12) 0.0267(5) Uani 1 1 d . . . . .
H73 H 1.0031 1.1311 0.3795 0.032 Uiso 1 1 calc R U . . .
C74 C 0.9174(2) 1.17110(16) 0.30571(12) 0.0275(5) Uani 1 1 d . . . . .
H74 H 0.9708 1.2316 0.3106 0.033 Uiso 1 1 calc R U . . .
C75 C 0.8220(2) 1.14286(16) 0.25784(12) 0.0253(5) Uani 1 1 d . . . . .
H75 H 0.8096 1.1838 0.2297 0.030 Uiso 1 1 calc R U . . .
C76 C 0.74353(18) 1.05446(15) 0.25064(11) 0.0200(4) Uani 1 1 d . . . . .
H76 H 0.6786 1.0348 0.2170 0.024 Uiso 1 1 calc R U . . .
C81 C 0.39972(17) 0.96117(14) 0.16552(10) 0.0161(4) Uani 1 1 d . . . . .
C82 C 0.4428(2) 0.97155(16) 0.10402(11) 0.0267(5) Uani 1 1 d . . . . .
H82 H 0.4303 0.9167 0.0662 0.032 Uiso 1 1 calc R U . . .
C83 C 0.5033(2) 1.06082(18) 0.09768(13) 0.0358(6) Uani 1 1 d . . . . .
H83 H 0.5329 1.0664 0.0558 0.043 Uiso 1 1 calc R U . . .
C84 C 0.5208(2) 1.14152(17) 0.15171(13) 0.0324(6) Uani 1 1 d . . . . .
H84 H 0.5630 1.2023 0.1471 0.039 Uiso 1 1 calc R U . . .
C85 C 0.4772(2) 1.13414(16) 0.21237(12) 0.0270(5) Uani 1 1 d . . . . .
H85 H 0.4878 1.1900 0.2494 0.032 Uiso 1 1 calc R U . . .
C86 C 0.41743(19) 1.04456(15) 0.21910(11) 0.0209(4) Uani 1 1 d . . . . .
H86 H 0.3879 1.0399 0.2612 0.025 Uiso 1 1 calc R U . . .
C91 C 0.0218(2) 0.35745(17) 0.14508(13) 0.0311(5) Uani 1 1 d . . . . .
H91A H 0.0575 0.3275 0.1039 0.047 Uiso 1 1 calc R U . . .
H91B H -0.0593 0.3676 0.1339 0.047 Uiso 1 1 calc R U . . .
H91C H 0.0161 0.3145 0.1753 0.047 Uiso 1 1 calc R U . . .
C92 C 0.1412(2) 0.55882(18) 0.13108(12) 0.0290(5) Uani 1 1 d . . . . .
H92A H 0.1988 0.6182 0.1534 0.043 Uiso 1 1 calc R U . . .
H92B H 0.0635 0.5758 0.1208 0.043 Uiso 1 1 calc R U . . .
H92C H 0.1731 0.5262 0.0894 0.043 Uiso 1 1 calc R U . . .
C93 C 0.0527(2) 0.53330(17) 0.26516(11) 0.0266(5) Uani 1 1 d . . . . .
H93A H 0.1052 0.5968 0.2867 0.032 Uiso 1 1 calc R U . . .
H93B H -0.0278 0.5461 0.2535 0.032 Uiso 1 1 calc R U . . .
C94 C 0.0380(2) 0.4705(2) 0.31604(13) 0.0359(6) Uani 1 1 d . . . . .
H94A H 0.0480 0.4037 0.2930 0.043 Uiso 1 1 calc R U . . .
H94B H 0.1039 0.4974 0.3520 0.043 Uiso 1 1 calc R U . . .
C95 C -0.08221(19) 0.46485(17) 0.34782(11) 0.0259(5) Uani 1 1 d . . . . .
H95A H -0.0913 0.5310 0.3730 0.031 Uiso 1 1 calc R U . . .
H95B H -0.0836 0.4242 0.3801 0.031 Uiso 1 1 calc R U . . .
Cl9 Cl -0.20632(6) 0.41399(5) 0.28612(3) 0.04336(18) Uani 1 1 d . . . . .
C101 C -0.0217(2) 0.8056(3) 0.20479(13) 0.0504(8) Uani 1 1 d . . . . .
H10A H -0.0145 0.7409 0.2096 0.076 Uiso 1 1 calc R U . . .
H10B H -0.1075 0.8093 0.1998 0.076 Uiso 1 1 calc R U . . .
H10C H 0.0167 0.8553 0.2447 0.076 Uiso 1 1 calc R U . . .
C102 C -0.02374(19) 0.74268(16) 0.05198(11) 0.0223(5) Uani 1 1 d . . . . .
H10D H 0.0133 0.7604 0.0132 0.033 Uiso 1 1 calc R U . . .
H10E H -0.1097 0.7473 0.0503 0.033 Uiso 1 1 calc R U . . .
H10F H -0.0161 0.6758 0.0511 0.033 Uiso 1 1 calc R U . . .
C103 C 0.0691(3) 0.9570(2) 0.12302(19) 0.0241(7) Uani 0.802(3) 1 d . . P A 1
H10G H 0.1011 1.0021 0.1668 0.029 Uiso 0.802(3) 1 calc R U P A 1
H10H H 0.1283 0.9677 0.0896 0.029 Uiso 0.802(3) 1 calc R U P A 1
C104 C -0.0513(2) 0.98109(19) 0.10232(14) 0.0233(6) Uani 0.802(3) 1 d . . P A 1
H10I H -0.0838 0.9360 0.0586 0.028 Uiso 0.802(3) 1 calc R U P A 1
H10J H -0.1106 0.9711 0.1359 0.028 Uiso 0.802(3) 1 calc R U P A 1
C105 C -0.0369(3) 1.0848(2) 0.09673(19) 0.0291(8) Uani 0.802(3) 1 d . . P A 1
H10K H 0.0259 1.0961 0.0652 0.035 Uiso 0.802(3) 1 calc R U P A 1
H10L H -0.0093 1.1301 0.1411 0.035 Uiso 0.802(3) 1 calc R U P A 1
Cl10 Cl -0.17667(9) 1.10976(7) 0.06773(4) 0.0396(3) Uani 0.802(3) 1 d . . P A 1
C106 C 0.0169(13) 0.9438(9) 0.1506(7) 0.025(3) Uani 0.198(3) 1 d . . P A 2
H10M H -0.0719 0.9388 0.1454 0.030 Uiso 0.198(3) 1 calc R U P A 2
H10N H 0.0448 0.9780 0.1978 0.030 Uiso 0.198(3) 1 calc R U P A 2
C107 C 0.0778(13) 0.9981(11) 0.1048(8) 0.032(3) Uani 0.198(3) 1 d . . P A 2
H10O H 0.0644 0.9562 0.0583 0.039 Uiso 0.198(3) 1 calc R U P A 2
H10P H 0.1661 1.0139 0.1169 0.039 Uiso 0.198(3) 1 calc R U P A 2
C108 C 0.0296(14) 1.0966(10) 0.1077(7) 0.029(3) Uani 0.198(3) 1 d . . P A 2
H10Q H 0.0831 1.1359 0.0831 0.035 Uiso 0.198(3) 1 calc R U P A 2
H10R H 0.0332 1.1348 0.1550 0.035 Uiso 0.198(3) 1 calc R U P A 2
Cl11 Cl -0.1195(4) 1.0737(3) 0.07268(18) 0.0404(14) Uani 0.198(3) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O2 1.6136(13) . ?
Si1 O1 1.6190(13) . ?
Si1 O9 1.6198(13) . ?
Si1 C11 1.845(2) . ?
Si2 O7 1.6170(13) . ?
Si2 O8 1.6192(14) . ?
Si2 O6 1.6230(13) . ?
Si2 C21 1.8441(19) . ?
Si3 O12 1.6026(13) . ?
Si3 O5 1.6194(13) . ?
Si3 O10 1.6264(14) . ?
Si3 C31 1.8520(19) . ?
Si4 O5 1.6162(13) . ?
Si4 O8 1.6252(14) . ?
Si4 O4 1.6308(13) . ?
Si4 C41 1.8421(19) . ?
Si5 O4 1.6207(13) . ?
Si5 O11 1.6216(13) . ?
Si5 O3 1.6273(14) . ?
Si5 C51 1.845(2) . ?
Si6 O10 1.6096(14) . ?
Si6 O9 1.6153(13) . ?
Si6 O7 1.6235(13) . ?
Si6 C61 1.8434(19) . ?
Si7 O3 1.6184(14) . ?
Si7 O6 1.6240(13) . ?
Si7 O1 1.6284(13) . ?
Si7 C71 1.8411(19) . ?
Si8 O13 1.6030(14) . ?
Si8 O11 1.6241(14) . ?
Si8 O2 1.6269(13) . ?
Si8 C81 1.850(2) . ?
Si9 O12 1.6526(14) . ?
Si9 C92 1.846(2) . ?
Si9 C91 1.854(2) . ?
Si9 C93 1.854(2) . ?
Si10 O13 1.6398(14) . ?
Si10 C106 1.761(11) . ?
Si10 C101 1.844(3) . ?
Si10 C102 1.849(2) . ?
Si10 C103 1.899(4) . ?
C11 C12 1.397(3) . ?
C11 C16 1.398(3) . ?
C12 C13 1.390(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.397(3) . ?
C21 C22 1.399(3) . ?
C22 C23 1.389(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.399(3) . ?
C31 C32 1.402(3) . ?
C32 C33 1.386(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.394(3) . ?
C41 C42 1.402(3) . ?
C42 C43 1.388(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.382(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.382(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.388(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.399(3) . ?
C51 C56 1.400(3) . ?
C52 C53 1.391(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.379(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.378(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.393(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.398(3) . ?
C61 C62 1.403(3) . ?
C62 C63 1.388(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.382(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.384(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.389(3) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.393(3) . ?
C71 C76 1.403(3) . ?
C72 C73 1.390(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.387(3) . ?
C73 H73 0.9500 . ?
C74 C75 1.375(3) . ?
C74 H74 0.9500 . ?
C75 C76 1.390(3) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C86 1.397(3) . ?
C81 C82 1.402(3) . ?
C82 C83 1.386(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.378(3) . ?
C83 H83 0.9500 . ?
C84 C85 1.377(3) . ?
C84 H84 0.9500 . ?
C85 C86 1.389(3) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.544(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.513(3) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 Cl9 1.789(2) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.532(4) . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?
C104 C105 1.511(4) . ?
C104 H10I 0.9900 . ?
C104 H10J 0.9900 . ?
C105 Cl10 1.795(4) . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C106 C107 1.480(18) . ?
C106 H10M 0.9900 . ?
C106 H10N 0.9900 . ?
C107 C108 1.59(2) . ?
C107 H10O 0.9900 . ?
C107 H10P 0.9900 . ?
C108 Cl11 1.753(16) . ?
C108 H10Q 0.9900 . ?
C108 H10R 0.9900 . ?

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
O2 Si1 O1 111.32(7) . . ?
O2 Si1 O9 107.44(7) . . ?
O1 Si1 O9 109.35(7) . . ?
O2 Si1 C11 108.15(8) . . ?
O1 Si1 C11 110.20(8) . . ?
O9 Si1 C11 110.35(8) . . ?
O7 Si2 O8 110.29(7) . . ?
O7 Si2 O6 109.45(7) . . ?
O8 Si2 O6 108.09(7) . . ?
O7 Si2 C21 108.51(8) . . ?
O8 Si2 C21 112.01(8) . . ?
O6 Si2 C21 108.45(8) . . ?
O12 Si3 O5 109.53(7) . . ?
O12 Si3 O10 109.84(7) . . ?
O5 Si3 O10 108.84(7) . . ?
O12 Si3 C31 108.99(8) . . ?
O5 Si3 C31 111.22(8) . . ?
O10 Si3 C31 108.39(8) . . ?
O5 Si4 O8 109.89(7) . . ?
O5 Si4 O4 108.52(7) . . ?
O8 Si4 O4 107.67(7) . . ?
O5 Si4 C41 108.67(8) . . ?
O8 Si4 C41 112.25(8) . . ?
O4 Si4 C41 109.76(8) . . ?
O4 Si5 O11 108.25(7) . . ?
O4 Si5 O3 109.67(7) . . ?
O11 Si5 O3 108.25(7) . . ?
O4 Si5 C51 111.87(8) . . ?
O11 Si5 C51 109.38(8) . . ?
O3 Si5 C51 109.35(8) . . ?
O10 Si6 O9 109.55(7) . . ?
O10 Si6 O7 108.99(7) . . ?
O9 Si6 O7 109.00(7) . . ?
O10 Si6 C61 109.41(8) . . ?
O9 Si6 C61 110.04(8) . . ?
O7 Si6 C61 109.82(8) . . ?
O3 Si7 O6 110.26(7) . . ?
O3 Si7 O1 108.96(7) . . ?
O6 Si7 O1 108.42(7) . . ?
O3 Si7 C71 110.00(8) . . ?
O6 Si7 C71 108.76(8) . . ?
O1 Si7 C71 110.41(8) . . ?
O13 Si8 O11 107.46(7) . . ?
O13 Si8 O2 108.81(7) . . ?
O11 Si8 O2 109.20(7) . . ?
O13 Si8 C81 111.69(8) . . ?
O11 Si8 C81 110.77(8) . . ?
O2 Si8 C81 108.86(8) . . ?
O12 Si9 C92 107.51(9) . . ?
O12 Si9 C91 106.84(9) . . ?
C92 Si9 C91 111.94(11) . . ?
O12 Si9 C93 109.67(9) . . ?
C92 Si9 C93 110.91(11) . . ?
C91 Si9 C93 109.85(11) . . ?
O13 Si10 C106 123.8(5) . . ?
O13 Si10 C101 109.46(11) . . ?
C106 Si10 C101 87.8(5) . . ?
O13 Si10 C102 107.01(9) . . ?
C106 Si10 C102 115.4(4) . . ?
C101 Si10 C102 111.58(12) . . ?
O13 Si10 C103 105.69(12) . . ?
C101 Si10 C103 113.52(17) . . ?
C102 Si10 C103 109.21(12) . . ?
Si1 O1 Si7 145.76(9) . . ?
Si1 O2 Si8 141.53(9) . . ?
Si7 O3 Si5 149.95(9) . . ?
Si5 O4 Si4 148.38(9) . . ?
Si4 O5 Si3 149.32(9) . . ?
Si2 O6 Si7 140.91(9) . . ?
Si2 O7 Si6 153.73(9) . . ?
Si2 O8 Si4 140.55(9) . . ?
Si6 O9 Si1 155.24(9) . . ?
Si6 O10 Si3 149.85(9) . . ?
Si5 O11 Si8 142.42(9) . . ?
Si3 O12 Si9 145.59(9) . . ?
Si8 O13 Si10 145.58(10) . . ?
C12 C11 C16 117.78(18) . . ?
C12 C11 Si1 119.04(15) . . ?
C16 C11 Si1 123.12(14) . . ?
C13 C12 C11 121.14(19) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 120.12(19) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 119.81(19) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 120.3(2) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C11 120.84(19) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C26 C21 C22 117.89(18) . . ?
C26 C21 Si2 121.35(14) . . ?
C22 C21 Si2 120.72(15) . . ?
C23 C22 C21 120.84(19) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 120.3(2) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.85(19) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 121.12(19) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?
C36 C31 C32 117.53(18) . . ?
C36 C31 Si3 120.59(14) . . ?
C32 C31 Si3 121.75(15) . . ?
C33 C32 C31 121.4(2) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 119.8(2) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C35 C34 C33 120.07(19) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.9(2) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 121.27(19) . . ?
C35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
C46 C41 C42 117.58(18) . . ?
C46 C41 Si4 119.83(14) . . ?
C42 C41 Si4 122.14(15) . . ?
C43 C42 C41 120.75(19) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 120.50(19) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 119.65(19) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 H44 120.2 . . ?
C44 C45 C46 119.91(19) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C41 121.56(19) . . ?
C45 C46 H46 119.2 . . ?
C41 C46 H46 119.2 . . ?
C52 C51 C56 117.76(18) . . ?
C52 C51 Si5 122.02(15) . . ?
C56 C51 Si5 120.05(15) . . ?
C53 C52 C51 121.0(2) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C54 C53 C52 120.0(2) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C55 C54 C53 120.2(2) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C54 C55 C56 120.0(2) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 C51 120.9(2) . . ?
C55 C56 H56 119.5 . . ?
C51 C56 H56 119.5 . . ?
C66 C61 C62 117.80(17) . . ?
C66 C61 Si6 121.11(14) . . ?
C62 C61 Si6 121.04(15) . . ?
C63 C62 C61 120.70(19) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C64 C63 C62 120.31(19) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C63 C64 C65 120.10(19) . . ?
C63 C64 H64 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 C66 119.67(19) . . ?
C64 C65 H65 120.2 . . ?
C66 C65 H65 120.2 . . ?
C65 C66 C61 121.40(18) . . ?
C65 C66 H66 119.3 . . ?
C61 C66 H66 119.3 . . ?
C72 C71 C76 117.98(18) . . ?
C72 C71 Si7 121.52(15) . . ?
C76 C71 Si7 120.48(15) . . ?
C73 C72 C71 121.27(19) . . ?
C73 C72 H72 119.4 . . ?
C71 C72 H72 119.4 . . ?
C74 C73 C72 119.5(2) . . ?
C74 C73 H73 120.3 . . ?
C72 C73 H73 120.3 . . ?
C75 C74 C73 120.46(19) . . ?
C75 C74 H74 119.8 . . ?
C73 C74 H74 119.8 . . ?
C74 C75 C76 120.0(2) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 120.8(2) . . ?
C75 C76 H76 119.6 . . ?
C71 C76 H76 119.6 . . ?
C86 C81 C82 117.36(19) . . ?
C86 C81 Si8 122.15(15) . . ?
C82 C81 Si8 120.50(16) . . ?
C83 C82 C81 120.8(2) . . ?
C83 C82 H82 119.6 . . ?
C81 C82 H82 119.6 . . ?
C84 C83 C82 120.4(2) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C85 C84 C83 120.1(2) . . ?
C85 C84 H84 120.0 . . ?
C83 C84 H84 120.0 . . ?
C84 C85 C86 119.6(2) . . ?
C84 C85 H85 120.2 . . ?
C86 C85 H85 120.2 . . ?
C85 C86 C81 121.6(2) . . ?
C85 C86 H86 119.2 . . ?
C81 C86 H86 119.2 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
Si9 C92 H92A 109.5 . . ?
Si9 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
Si9 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 Si9 113.71(16) . . ?
C94 C93 H93A 108.8 . . ?
Si9 C93 H93A 108.8 . . ?
C94 C93 H93B 108.8 . . ?
Si9 C93 H93B 108.8 . . ?
H93A C93 H93B 107.7 . . ?
C95 C94 C93 114.57(19) . . ?
C95 C94 H94A 108.6 . . ?
C93 C94 H94A 108.6 . . ?
C95 C94 H94B 108.6 . . ?
C93 C94 H94B 108.6 . . ?
H94A C94 H94B 107.6 . . ?
C94 C95 Cl9 111.48(17) . . ?
C94 C95 H95A 109.3 . . ?
Cl9 C95 H95A 109.3 . . ?
C94 C95 H95B 109.3 . . ?
Cl9 C95 H95B 109.3 . . ?
H95A C95 H95B 108.0 . . ?
Si10 C101 H10A 109.5 . . ?
Si10 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
Si10 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
Si10 C102 H10D 109.5 . . ?
Si10 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
Si10 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 Si10 112.9(2) . . ?
C104 C103 H10G 109.0 . . ?
Si10 C103 H10G 109.0 . . ?
C104 C103 H10H 109.0 . . ?
Si10 C103 H10H 109.0 . . ?
H10G C103 H10H 107.8 . . ?
C105 C104 C103 111.9(3) . . ?
C105 C104 H10I 109.2 . . ?
C103 C104 H10I 109.2 . . ?
C105 C104 H10J 109.2 . . ?
C103 C104 H10J 109.2 . . ?
H10I C104 H10J 107.9 . . ?
C104 C105 Cl10 111.4(2) . . ?
C104 C105 H10K 109.4 . . ?
Cl10 C105 H10K 109.4 . . ?
C104 C105 H10L 109.4 . . ?
Cl10 C105 H10L 109.4 . . ?
H10K C105 H10L 108.0 . . ?
C107 C106 Si10 107.7(10) . . ?
C107 C106 H10M 110.2 . . ?
Si10 C106 H10M 110.2 . . ?
C107 C106 H10N 110.2 . . ?
Si10 C106 H10N 110.2 . . ?
H10M C106 H10N 108.5 . . ?
C106 C107 C108 112.5(10) . . ?
C106 C107 H10O 109.1 . . ?
C108 C107 H10O 109.1 . . ?
C106 C107 H10P 109.1 . . ?
C108 C107 H10P 109.1 . . ?
H10O C107 H10P 107.8 . . ?
C107 C108 Cl11 111.8(10) . . ?
C107 C108 H10Q 109.3 . . ?
Cl11 C108 H10Q 109.3 . . ?
C107 C108 H10R 109.3 . . ?
Cl11 C108 H10R 109.3 . . ?
H10Q C108 H10R 107.9 . . ?

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
O2 Si1 O1 Si7 -68.82(17) . . . . ?
O9 Si1 O1 Si7 49.73(17) . . . . ?
C11 Si1 O1 Si7 171.19(15) . . . . ?
O3 Si7 O1 Si1 41.19(18) . . . . ?
O6 Si7 O1 Si1 -78.84(17) . . . . ?
C71 Si7 O1 Si1 162.10(15) . . . . ?
O1 Si1 O2 Si8 16.74(17) . . . . ?
O9 Si1 O2 Si8 -102.95(15) . . . . ?
C11 Si1 O2 Si8 137.93(14) . . . . ?
O13 Si8 O2 Si1 169.60(13) . . . . ?
O11 Si8 O2 Si1 52.58(16) . . . . ?
C81 Si8 O2 Si1 -68.46(16) . . . . ?
O6 Si7 O3 Si5 71.25(19) . . . . ?
O1 Si7 O3 Si5 -47.6(2) . . . . ?
C71 Si7 O3 Si5 -168.79(17) . . . . ?
O4 Si5 O3 Si7 -49.8(2) . . . . ?
O11 Si5 O3 Si7 68.08(19) . . . . ?
C51 Si5 O3 Si7 -172.83(17) . . . . ?
O11 Si5 O4 Si4 -158.64(16) . . . . ?
O3 Si5 O4 Si4 -40.74(19) . . . . ?
C51 Si5 O4 Si4 80.77(19) . . . . ?
O5 Si4 O4 Si5 156.91(16) . . . . ?
O8 Si4 O4 Si5 38.01(19) . . . . ?
C41 Si4 O4 Si5 -84.46(18) . . . . ?
O8 Si4 O5 Si3 87.01(18) . . . . ?
O4 Si4 O5 Si3 -30.5(2) . . . . ?
C41 Si4 O5 Si3 -149.81(17) . . . . ?
O12 Si3 O5 Si4 75.05(19) . . . . ?
O10 Si3 O5 Si4 -45.1(2) . . . . ?
C31 Si3 O5 Si4 -164.41(17) . . . . ?
O7 Si2 O6 Si7 -60.40(15) . . . . ?
O8 Si2 O6 Si7 59.74(15) . . . . ?
C21 Si2 O6 Si7 -178.62(13) . . . . ?
O3 Si7 O6 Si2 -49.18(16) . . . . ?
O1 Si7 O6 Si2 70.03(15) . . . . ?
C71 Si7 O6 Si2 -169.88(13) . . . . ?
O8 Si2 O7 Si6 -57.5(2) . . . . ?
O6 Si2 O7 Si6 61.3(2) . . . . ?
C21 Si2 O7 Si6 179.5(2) . . . . ?
O10 Si6 O7 Si2 78.3(2) . . . . ?
O9 Si6 O7 Si2 -41.2(2) . . . . ?
C61 Si6 O7 Si2 -161.8(2) . . . . ?
O7 Si2 O8 Si4 26.17(16) . . . . ?
O6 Si2 O8 Si4 -93.45(14) . . . . ?
C21 Si2 O8 Si4 147.13(13) . . . . ?
O5 Si4 O8 Si2 -55.88(15) . . . . ?
O4 Si4 O8 Si2 62.14(15) . . . . ?
C41 Si4 O8 Si2 -176.94(13) . . . . ?
O10 Si6 O9 Si1 -150.0(2) . . . . ?
O7 Si6 O9 Si1 -30.8(2) . . . . ?
C61 Si6 O9 Si1 89.7(2) . . . . ?
O2 Si1 O9 Si6 150.6(2) . . . . ?
O1 Si1 O9 Si6 29.7(2) . . . . ?
C11 Si1 O9 Si6 -91.7(2) . . . . ?
O9 Si6 O10 Si3 96.98(18) . . . . ?
O7 Si6 O10 Si3 -22.2(2) . . . . ?
C61 Si6 O10 Si3 -142.30(17) . . . . ?
O12 Si3 O10 Si6 -122.86(18) . . . . ?
O5 Si3 O10 Si6 -3.0(2) . . . . ?
C31 Si3 O10 Si6 118.15(18) . . . . ?
O4 Si5 O11 Si8 122.91(14) . . . . ?
O3 Si5 O11 Si8 4.11(16) . . . . ?
C51 Si5 O11 Si8 -114.96(15) . . . . ?
O13 Si8 O11 Si5 174.46(13) . . . . ?
O2 Si8 O11 Si5 -67.67(16) . . . . ?
C81 Si8 O11 Si5 52.21(17) . . . . ?
O5 Si3 O12 Si9 -139.63(15) . . . . ?
O10 Si3 O12 Si9 -20.14(18) . . . . ?
C31 Si3 O12 Si9 98.48(16) . . . . ?
C92 Si9 O12 Si3 110.04(17) . . . . ?
C91 Si9 O12 Si3 -129.64(17) . . . . ?
C93 Si9 O12 Si3 -10.63(19) . . . . ?
O11 Si8 O13 Si10 169.57(15) . . . . ?
O2 Si8 O13 Si10 51.45(18) . . . . ?
C81 Si8 O13 Si10 -68.76(18) . . . . ?
C106 Si10 O13 Si8 36.8(6) . . . . ?
C101 Si10 O13 Si8 -64.0(2) . . . . ?
C102 Si10 O13 Si8 174.93(16) . . . . ?
C103 Si10 O13 Si8 58.6(2) . . . . ?
O2 Si1 C11 C12 43.08(17) . . . . ?
O1 Si1 C11 C12 164.96(14) . . . . ?
O9 Si1 C11 C12 -74.18(17) . . . . ?
O2 Si1 C11 C16 -140.05(16) . . . . ?
O1 Si1 C11 C16 -18.17(18) . . . . ?
O9 Si1 C11 C16 102.69(16) . . . . ?
C16 C11 C12 C13 -0.9(3) . . . . ?
Si1 C11 C12 C13 176.17(16) . . . . ?
C11 C12 C13 C14 0.2(3) . . . . ?
C12 C13 C14 C15 0.7(3) . . . . ?
C13 C14 C15 C16 -0.7(3) . . . . ?
C14 C15 C16 C11 0.0(3) . . . . ?
C12 C11 C16 C15 0.8(3) . . . . ?
Si1 C11 C16 C15 -176.11(16) . . . . ?
O7 Si2 C21 C26 7.85(18) . . . . ?
O8 Si2 C21 C26 -114.14(16) . . . . ?
O6 Si2 C21 C26 126.66(16) . . . . ?
O7 Si2 C21 C22 -170.09(15) . . . . ?
O8 Si2 C21 C22 67.92(18) . . . . ?
O6 Si2 C21 C22 -51.28(18) . . . . ?
C26 C21 C22 C23 0.5(3) . . . . ?
Si2 C21 C22 C23 178.55(17) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C26 0.1(4) . . . . ?
C24 C25 C26 C21 0.2(3) . . . . ?
C22 C21 C26 C25 -0.6(3) . . . . ?
Si2 C21 C26 C25 -178.55(17) . . . . ?
O12 Si3 C31 C36 5.08(18) . . . . ?
O5 Si3 C31 C36 -115.78(16) . . . . ?
O10 Si3 C31 C36 124.60(16) . . . . ?
O12 Si3 C31 C32 -170.74(15) . . . . ?
O5 Si3 C31 C32 68.41(17) . . . . ?
O10 Si3 C31 C32 -51.21(17) . . . . ?
C36 C31 C32 C33 -1.0(3) . . . . ?
Si3 C31 C32 C33 174.94(16) . . . . ?
C31 C32 C33 C34 0.3(3) . . . . ?
C32 C33 C34 C35 1.1(3) . . . . ?
C33 C34 C35 C36 -1.6(3) . . . . ?
C34 C35 C36 C31 0.8(3) . . . . ?
C32 C31 C36 C35 0.5(3) . . . . ?
Si3 C31 C36 C35 -175.53(15) . . . . ?
O5 Si4 C41 C46 11.62(17) . . . . ?
O8 Si4 C41 C46 133.37(15) . . . . ?
O4 Si4 C41 C46 -106.92(16) . . . . ?
O5 Si4 C41 C42 -176.23(15) . . . . ?
O8 Si4 C41 C42 -54.47(18) . . . . ?
O4 Si4 C41 C42 65.23(17) . . . . ?
C46 C41 C42 C43 2.1(3) . . . . ?
Si4 C41 C42 C43 -170.26(15) . . . . ?
C41 C42 C43 C44 -0.4(3) . . . . ?
C42 C43 C44 C45 -1.5(3) . . . . ?
C43 C44 C45 C46 1.5(3) . . . . ?
C44 C45 C46 C41 0.2(3) . . . . ?
C42 C41 C46 C45 -2.0(3) . . . . ?
Si4 C41 C46 C45 170.50(16) . . . . ?
O4 Si5 C51 C52 20.25(19) . . . . ?
O11 Si5 C51 C52 -99.67(17) . . . . ?
O3 Si5 C51 C52 141.94(16) . . . . ?
O4 Si5 C51 C56 -164.65(15) . . . . ?
O11 Si5 C51 C56 75.43(17) . . . . ?
O3 Si5 C51 C56 -42.96(18) . . . . ?
C56 C51 C52 C53 -0.2(3) . . . . ?
Si5 C51 C52 C53 174.98(15) . . . . ?
C51 C52 C53 C54 -1.2(3) . . . . ?
C52 C53 C54 C55 1.2(3) . . . . ?
C53 C54 C55 C56 0.2(3) . . . . ?
C54 C55 C56 C51 -1.6(3) . . . . ?
C52 C51 C56 C55 1.6(3) . . . . ?
Si5 C51 C56 C55 -173.71(16) . . . . ?
O10 Si6 C61 C66 -151.63(15) . . . . ?
O9 Si6 C61 C66 -31.21(18) . . . . ?
O7 Si6 C61 C66 88.79(16) . . . . ?
O10 Si6 C61 C62 30.93(18) . . . . ?
O9 Si6 C61 C62 151.35(15) . . . . ?
O7 Si6 C61 C62 -88.66(16) . . . . ?
C66 C61 C62 C63 -1.2(3) . . . . ?
Si6 C61 C62 C63 176.29(15) . . . . ?
C61 C62 C63 C64 0.2(3) . . . . ?
C62 C63 C64 C65 0.9(3) . . . . ?
C63 C64 C65 C66 -0.9(3) . . . . ?
C64 C65 C66 C61 -0.2(3) . . . . ?
C62 C61 C66 C65 1.2(3) . . . . ?
Si6 C61 C66 C65 -176.30(15) . . . . ?
O3 Si7 C71 C72 -136.35(16) . . . . ?
O6 Si7 C71 C72 -15.49(18) . . . . ?
O1 Si7 C71 C72 103.36(17) . . . . ?
O3 Si7 C71 C76 45.48(18) . . . . ?
O6 Si7 C71 C76 166.35(15) . . . . ?
O1 Si7 C71 C76 -74.80(17) . . . . ?
C76 C71 C72 C73 0.6(3) . . . . ?
Si7 C71 C72 C73 -177.65(17) . . . . ?
C71 C72 C73 C74 0.6(3) . . . . ?
C72 C73 C74 C75 -1.0(3) . . . . ?
C73 C74 C75 C76 0.1(3) . . . . ?
C74 C75 C76 C71 1.1(3) . . . . ?
C72 C71 C76 C75 -1.4(3) . . . . ?
Si7 C71 C76 C75 176.78(16) . . . . ?
O13 Si8 C81 C86 110.30(17) . . . . ?
O11 Si8 C81 C86 -129.96(16) . . . . ?
O2 Si8 C81 C86 -9.87(19) . . . . ?
O13 Si8 C81 C82 -69.93(18) . . . . ?
O11 Si8 C81 C82 49.82(18) . . . . ?
O2 Si8 C81 C82 169.90(16) . . . . ?
C86 C81 C82 C83 1.7(3) . . . . ?
Si8 C81 C82 C83 -178.10(18) . . . . ?
C81 C82 C83 C84 -0.9(4) . . . . ?
C82 C83 C84 C85 -0.6(4) . . . . ?
C83 C84 C85 C86 1.2(4) . . . . ?
C84 C85 C86 C81 -0.3(3) . . . . ?
C82 C81 C86 C85 -1.1(3) . . . . ?
Si8 C81 C86 C85 178.68(16) . . . . ?
O12 Si9 C93 C94 -58.19(19) . . . . ?
C92 Si9 C93 C94 -176.78(17) . . . . ?
C91 Si9 C93 C94 58.9(2) . . . . ?
Si9 C93 C94 C95 -135.5(2) . . . . ?
C93 C94 C95 Cl9 59.8(3) . . . . ?
O13 Si10 C103 C104 166.4(2) . . . . ?
C101 Si10 C103 C104 -73.6(3) . . . . ?
C102 Si10 C103 C104 51.6(3) . . . . ?
Si10 C103 C104 C105 -179.7(2) . . . . ?
C103 C104 C105 Cl10 176.6(2) . . . . ?
O13 Si10 C106 C107 60.6(11) . . . . ?
C101 Si10 C106 C107 172.7(9) . . . . ?
C102 Si10 C106 C107 -74.4(10) . . . . ?
Si10 C106 C107 C108 167.8(10) . . . . ?
C106 C107 C108 Cl11 -69.5(14) . . . . ?

_refine_diff_density_max         0.658
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.056

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7b
_database_code_depnum_ccdc_archive 'CCDC 2058970'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2021-01-26 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H48 O13 Si9'
_chemical_formula_sum            'C52 H48 O13 Si9'
_chemical_formula_weight         1133.71

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.2559(4)
_cell_length_b                   16.7794(5)
_cell_length_c                   23.8083(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.576(2)
_cell_angle_gamma                90
_cell_volume                     5631.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    9188
_cell_measurement_theta_min      3.5360
_cell_measurement_theta_max      26.5850

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_F_000             2360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.273
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.93335
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      295(2)
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            25474
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.199
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9885
_reflns_number_gt                7522
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0864P)²+3.7011P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9885
_refine_ls_number_parameters     668
_refine_ls_number_restraints     47
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0534
_refine_ls_wR_factor_ref         0.1638
_refine_ls_wR_factor_gt          0.1511
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.72384(6) 0.41513(5) 0.48715(4) 0.0381(2) Uani 1 1 d . . . . .
Si2 Si 0.62383(6) 0.27736(5) 0.54392(4) 0.0399(2) Uani 1 1 d . . . . .
Si3 Si 0.55913(6) 0.20384(5) 0.42648(4) 0.0402(2) Uani 1 1 d . . . . .
Si4 Si 0.65730(7) 0.33898(5) 0.36780(4) 0.0447(2) Uani 1 1 d . . . . .
Si5 Si 0.92079(6) 0.33314(5) 0.51955(4) 0.0393(2) Uani 1 1 d . . . . .
Si6 Si 0.81165(6) 0.18053(5) 0.55375(4) 0.0419(2) Uani 1 1 d . . . . .
Si7 Si 0.74706(6) 0.10639(5) 0.43619(4) 0.0422(2) Uani 1 1 d . . . . .
Si8 Si 0.82259(7) 0.22189(6) 0.34975(4) 0.0486(3) Uani 1 1 d . . . . .
Si9 Si 1.01344(7) 0.28360(6) 0.41269(4) 0.0545(3) Uani 1 1 d . . . . .
O1 O 0.65829(17) 0.36173(13) 0.52174(10) 0.0513(6) Uani 1 1 d . . . . .
O2 O 0.56029(15) 0.23259(14) 0.49126(9) 0.0502(6) Uani 1 1 d . . . . .
O3 O 0.58115(17) 0.27848(14) 0.38796(10) 0.0553(6) Uani 1 1 d . . . . .
O4 O 0.69888(17) 0.39513(14) 0.42016(9) 0.0526(6) Uani 1 1 d . . . . .
O5 O 0.7423(2) 0.28979(16) 0.34739(12) 0.0726(8) Uani 1 1 d . . . . .
O6 O 0.63910(16) 0.13726(14) 0.42526(10) 0.0553(6) Uani 1 1 d . . . . .
O7 O 0.71489(16) 0.22257(14) 0.56576(10) 0.0529(6) Uani 1 1 d . . . . .
O8 O 0.83409(16) 0.39485(13) 0.50770(10) 0.0520(6) Uani 1 1 d . . . . .
O9 O 0.88215(16) 0.24679(14) 0.53452(10) 0.0530(6) Uani 1 1 d . . . . .
O10 O 0.78862(17) 0.11649(13) 0.50295(9) 0.0506(6) Uani 1 1 d . . . . .
O11 O 0.80993(17) 0.16029(16) 0.40033(10) 0.0589(6) Uani 1 1 d . . . . .
O12 O 0.92579(19) 0.26222(19) 0.36348(11) 0.0722(8) Uani 1 1 d . . . . .
O13 O 0.97118(17) 0.32710(15) 0.46385(10) 0.0573(6) Uani 1 1 d . . . . .
C11 C 0.7029(2) 0.52089(19) 0.50104(13) 0.0432(7) Uani 1 1 d . . . . .
C12 C 0.7469(3) 0.5804(2) 0.47362(17) 0.0608(10) Uani 1 1 d . . . . .
H12 H 0.7870 0.5660 0.4479 0.073 Uiso 1 1 calc R U . . .
C13 C 0.7328(3) 0.6598(2) 0.4836(2) 0.0741(12) Uani 1 1 d . . . . .
H13 H 0.7628 0.6984 0.4646 0.089 Uiso 1 1 calc R U . . .
C14 C 0.6741(3) 0.6820(3) 0.5218(2) 0.0768(13) Uani 1 1 d . . . . .
H14 H 0.6640 0.7357 0.5285 0.092 Uiso 1 1 calc R U . . .
C15 C 0.6317(3) 0.6264(3) 0.5491(2) 0.0768(13) Uani 1 1 d . . . . .
H15 H 0.5929 0.6417 0.5753 0.092 Uiso 1 1 calc R U . . .
C16 C 0.6447(3) 0.5456(2) 0.53911(16) 0.0611(10) Uani 1 1 d . . . . .
H16 H 0.6138 0.5078 0.5583 0.073 Uiso 1 1 calc R U . . .
C21 C 0.5535(2) 0.2943(2) 0.60144(13) 0.0460(8) Uani 1 1 d . . . . .
C22 C 0.5585(3) 0.2431(3) 0.64761(17) 0.0725(12) Uani 1 1 d . . . . .
H22 H 0.5980 0.1988 0.6495 0.087 Uiso 1 1 calc R U . . .
C23 C 0.5054(4) 0.2571(4) 0.6909(2) 0.0953(16) Uani 1 1 d . . . . .
H23 H 0.5084 0.2216 0.7211 0.114 Uiso 1 1 calc R U . . .
C24 C 0.4488(4) 0.3227(4) 0.6892(2) 0.0909(16) Uani 1 1 d . . . . .
H24 H 0.4144 0.3324 0.7187 0.109 Uiso 1 1 calc R U . . .
C25 C 0.4425(3) 0.3741(3) 0.64474(19) 0.0779(13) Uani 1 1 d . . . . .
H25 H 0.4034 0.4186 0.6436 0.094 Uiso 1 1 calc R U . . .
C26 C 0.4947(3) 0.3597(3) 0.60091(15) 0.0600(10) Uani 1 1 d . . . . .
H26 H 0.4898 0.3950 0.5705 0.072 Uiso 1 1 calc R U . . .
C31 C 0.4421(2) 0.1621(2) 0.39799(16) 0.0557(9) Uani 1 1 d . . . . .
C32 C 0.4003(4) 0.1052(3) 0.4262(2) 0.0927(16) Uani 1 1 d . . . . .
H32 H 0.4325 0.0870 0.4607 0.111 Uiso 1 1 calc R U . . .
C33 C 0.3133(5) 0.0731(5) 0.4069(3) 0.127(2) Uani 1 1 d . . . . .
H33 H 0.2868 0.0348 0.4280 0.152 Uiso 1 1 calc R U . . .
C34 C 0.2669(4) 0.0981(5) 0.3567(4) 0.130(3) Uani 1 1 d . . . . .
H34 H 0.2080 0.0764 0.3427 0.156 Uiso 1 1 calc R U . . .
C35 C 0.3042(4) 0.1535(5) 0.3267(3) 0.124(3) Uani 1 1 d . . . . .
H35 H 0.2717 0.1702 0.2919 0.148 Uiso 1 1 calc R U . . .
C36 C 0.3924(3) 0.1862(3) 0.3477(2) 0.0849(14) Uani 1 1 d . . . . .
H36 H 0.4178 0.2254 0.3268 0.102 Uiso 1 1 calc R U . . .
C41 C 0.5958(4) 0.3973(2) 0.30778(16) 0.0713(12) Uani 1 1 d . U . . .
C42 C 0.4983(5) 0.4142(3) 0.3031(2) 0.111(2) Uani 1 1 d . U . . .
H42 H 0.4651 0.3982 0.3320 0.133 Uiso 1 1 calc R U . . .
C43 C 0.4505(7) 0.4542(5) 0.2562(4) 0.161(4) Uani 1 1 d . U . . .
H43 H 0.3859 0.4645 0.2535 0.193 Uiso 1 1 calc R U . . .
C44 C 0.4979(12) 0.4773(6) 0.2159(5) 0.199(6) Uani 1 1 d . U . . .
H44 H 0.4646 0.5034 0.1846 0.238 Uiso 1 1 calc R U . . .
C45 C 0.5916(10) 0.4658(6) 0.2168(3) 0.183(5) Uani 1 1 d . U . . .
H45 H 0.6223 0.4859 0.1880 0.220 Uiso 1 1 calc R U . . .
C46 C 0.6444(6) 0.4210(4) 0.2640(2) 0.125(2) Uani 1 1 d . U . . .
H46 H 0.7082 0.4087 0.2648 0.150 Uiso 1 1 calc R U . . .
C51 C 1.0081(2) 0.3705(2) 0.57909(14) 0.0479(8) Uani 1 1 d . . . . .
C52 C 1.0606(3) 0.3184(3) 0.61640(18) 0.0808(14) Uani 1 1 d . . . . .
H52 H 1.0507 0.2638 0.6124 0.097 Uiso 1 1 calc R U . . .
C53 C 1.1289(4) 0.3477(4) 0.6603(2) 0.1015(18) Uani 1 1 d . . . . .
H53 H 1.1634 0.3122 0.6854 0.122 Uiso 1 1 calc R U . . .
C54 C 1.1450(3) 0.4266(4) 0.6665(2) 0.0927(16) Uani 1 1 d . . . . .
H54 H 1.1898 0.4453 0.6960 0.111 Uiso 1 1 calc R U . . .
C55 C 1.0954(3) 0.4793(3) 0.62925(19) 0.0741(12) Uani 1 1 d . . . . .
H55 H 1.1077 0.5336 0.6327 0.089 Uiso 1 1 calc R U . . .
C56 C 1.0270(3) 0.4511(2) 0.58661(15) 0.0561(9) Uani 1 1 d . . . . .
H56 H 0.9927 0.4874 0.5622 0.067 Uiso 1 1 calc R U . . .
C61 C 0.8663(2) 0.1290(2) 0.61884(14) 0.0475(8) Uani 1 1 d . . . . .
C62 C 0.8587(4) 0.1586(3) 0.67179(17) 0.0854(14) Uani 1 1 d . . . . .
H62 H 0.8234 0.2046 0.6745 0.103 Uiso 1 1 calc R U . . .
C63 C 0.9014(5) 0.1227(4) 0.7210(2) 0.112(2) Uani 1 1 d . . . . .
H63 H 0.8960 0.1450 0.7561 0.135 Uiso 1 1 calc R U . . .
C64 C 0.9518(4) 0.0543(3) 0.7177(2) 0.0893(15) Uani 1 1 d . . . . .
H64 H 0.9812 0.0298 0.7508 0.107 Uiso 1 1 calc R U . . .
C65 C 0.9590(3) 0.0220(3) 0.6669(2) 0.0825(13) Uani 1 1 d . . . . .
H65 H 0.9929 -0.0251 0.6649 0.099 Uiso 1 1 calc R U . . .
C66 C 0.9157(3) 0.0588(3) 0.61684(18) 0.0698(11) Uani 1 1 d . . . . .
H66 H 0.9204 0.0355 0.5819 0.084 Uiso 1 1 calc R U . . .
C71 C 0.7465(3) 0.0012(2) 0.41445(16) 0.0571(9) Uani 1 1 d . . . . .
C72 C 0.8011(5) -0.0276(3) 0.3771(3) 0.139(3) Uani 1 1 d . . . . .
H72 H 0.8430 0.0065 0.3627 0.167 Uiso 1 1 calc R U . . .
C73 C 0.7961(7) -0.1068(4) 0.3598(5) 0.188(5) Uani 1 1 d . . . . .
H73 H 0.8362 -0.1247 0.3351 0.226 Uiso 1 1 calc R U . . .
C74 C 0.7372(7) -0.1560(4) 0.3773(3) 0.133(3) Uani 1 1 d . . . . .
H74 H 0.7386 -0.2096 0.3677 0.160 Uiso 1 1 calc R U . . .
C75 C 0.6746(5) -0.1298(3) 0.4091(3) 0.122(2) Uani 1 1 d . . . . .
H75 H 0.6283 -0.1640 0.4189 0.146 Uiso 1 1 calc R U . . .
C76 C 0.6784(4) -0.0507(3) 0.4280(3) 0.1002(17) Uani 1 1 d . . . . .
H76 H 0.6340 -0.0328 0.4500 0.120 Uiso 1 1 calc R U . . .
C81 C 0.8134(2) 0.1697(2) 0.28106(14) 0.0481(8) Uani 1 1 d . . . . .
C82 C 0.7282(3) 0.1436(3) 0.25314(19) 0.0820(13) Uani 1 1 d . . . . .
H82 H 0.6734 0.1545 0.2685 0.098 Uiso 1 1 calc R U . . .
C83 C 0.7209(4) 0.1012(4) 0.2026(2) 0.1014(18) Uani 1 1 d . . . . .
H83 H 0.6620 0.0841 0.1844 0.122 Uiso 1 1 calc R U . . .
C84 C 0.8011(5) 0.0849(3) 0.1800(2) 0.0998(18) Uani 1 1 d . . . . .
H84 H 0.7970 0.0567 0.1461 0.120 Uiso 1 1 calc R U . . .
C85 C 0.8860(4) 0.1095(3) 0.20640(19) 0.0839(14) Uani 1 1 d . . . . .
H85 H 0.9405 0.0976 0.1909 0.101 Uiso 1 1 calc R U . . .
C86 C 0.8931(3) 0.1521(2) 0.25614(15) 0.0621(10) Uani 1 1 d . . . . .
H86 H 0.9524 0.1695 0.2735 0.075 Uiso 1 1 calc R U . . .
C91 C 1.0732(4) 0.1887(4) 0.4383(3) 0.123(2) Uani 1 1 d . . . . .
H91A H 1.1235 0.1999 0.4688 0.185 Uiso 1 1 calc R U . . .
H91B H 1.0989 0.1636 0.4077 0.185 Uiso 1 1 calc R U . . .
H91C H 1.0280 0.1537 0.4516 0.185 Uiso 1 1 calc R U . . .
C92 C 1.0904(3) 0.3545(3) 0.38146(19) 0.0736(12) Uani 1 1 d D U . . .
H92A H 1.0511 0.3954 0.3610 0.088 Uiso 1 1 calc R U . . .
H92B H 1.1324 0.3802 0.4119 0.088 Uiso 1 1 calc R U . . .
C93 C 1.1473(7) 0.3169(5) 0.3428(4) 0.203(5) Uani 1 1 d D U . . .
H93 H 1.1691 0.2667 0.3552 0.244 Uiso 1 1 calc R U . . .
C94 C 1.1750(13) 0.3374(10) 0.2946(5) 0.349(11) Uani 1 1 d D U . . .
H94A H 1.1574 0.3865 0.2782 0.418 Uiso 1 1 calc R U . . .
H94B H 1.2123 0.3028 0.2768 0.418 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O1 1.607(2) . ?
Si1 O8 1.611(2) . ?
Si1 O4 1.617(2) . ?
Si1 C11 1.838(3) . ?
Si2 O7 1.612(2) . ?
Si2 O1 1.613(2) . ?
Si2 O2 1.618(2) . ?
Si2 C21 1.836(3) . ?
Si3 O6 1.599(2) . ?
Si3 O3 1.611(3) . ?
Si3 O2 1.614(2) . ?
Si3 C31 1.843(4) . ?
Si4 O5 1.600(3) . ?
Si4 O4 1.604(2) . ?
Si4 O3 1.611(3) . ?
Si4 C41 1.842(4) . ?
Si5 O13 1.603(2) . ?
Si5 O8 1.605(2) . ?
Si5 O9 1.609(2) . ?
Si5 C51 1.851(3) . ?
Si6 O9 1.610(2) . ?
Si6 O7 1.612(2) . ?
Si6 O10 1.614(2) . ?
Si6 C61 1.843(3) . ?
Si7 O11 1.606(2) . ?
Si7 O6 1.608(2) . ?
Si7 O10 1.620(2) . ?
Si7 C71 1.839(4) . ?
Si8 O12 1.608(3) . ?
Si8 O5 1.610(3) . ?
Si8 O11 1.617(3) . ?
Si8 C81 1.842(3) . ?
Si9 O13 1.612(2) . ?
Si9 O12 1.621(3) . ?
Si9 C92 1.847(4) . ?
Si9 C91 1.866(6) . ?
C11 C16 1.381(5) . ?
C11 C12 1.393(5) . ?
C12 C13 1.374(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.333(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.394(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.380(5) . ?
C21 C22 1.389(5) . ?
C22 C23 1.386(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.362(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.357(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.390(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.356(6) . ?
C31 C36 1.359(6) . ?
C32 C33 1.367(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.344(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.329(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.394(7) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C46 1.392(7) . ?
C41 C42 1.407(7) . ?
C42 C43 1.392(9) . ?
C42 H42 0.9300 . ?
C43 C44 1.311(15) . ?
C43 H43 0.9300 . ?
C44 C45 1.348(16) . ?
C44 H44 0.9300 . ?
C45 C46 1.464(11) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C52 1.385(5) . ?
C51 C56 1.385(5) . ?
C52 C53 1.407(6) . ?
C52 H52 0.9300 . ?
C53 C54 1.348(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.371(7) . ?
C54 H54 0.9300 . ?
C55 C56 1.382(5) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C62 1.374(5) . ?
C61 C66 1.377(5) . ?
C62 C63 1.376(6) . ?
C62 H62 0.9300 . ?
C63 C64 1.362(7) . ?
C63 H63 0.9300 . ?
C64 C65 1.344(7) . ?
C64 H64 0.9300 . ?
C65 C66 1.401(6) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.355(6) . ?
C71 C76 1.377(6) . ?
C72 C73 1.390(8) . ?
C72 H72 0.9300 . ?
C73 C74 1.290(10) . ?
C73 H73 0.9300 . ?
C74 C75 1.330(9) . ?
C74 H74 0.9300 . ?
C75 C76 1.399(7) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C82 1.367(5) . ?
C81 C86 1.390(5) . ?
C82 C83 1.388(7) . ?
C82 H82 0.9300 . ?
C83 C84 1.362(8) . ?
C83 H83 0.9300 . ?
C84 C85 1.343(8) . ?
C84 H84 0.9300 . ?
C85 C86 1.374(6) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 C93 1.457(2) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C93 C94 1.315(2) . ?
C93 H93 0.9300 . ?
C94 H94A 0.9300 . ?
C94 H94B 0.9300 . ?

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
O1 Si1 O8 110.00(13) . . ?
O1 Si1 O4 109.31(13) . . ?
O8 Si1 O4 108.48(13) . . ?
O1 Si1 C11 108.88(13) . . ?
O8 Si1 C11 109.05(13) . . ?
O4 Si1 C11 111.11(14) . . ?
O7 Si2 O1 109.64(13) . . ?
O7 Si2 O2 108.42(13) . . ?
O1 Si2 O2 108.45(13) . . ?
O7 Si2 C21 110.55(14) . . ?
O1 Si2 C21 109.56(14) . . ?
O2 Si2 C21 110.19(13) . . ?
O6 Si3 O3 109.44(14) . . ?
O6 Si3 O2 108.69(13) . . ?
O3 Si3 O2 109.67(13) . . ?
O6 Si3 C31 109.68(15) . . ?
O3 Si3 C31 109.17(16) . . ?
O2 Si3 C31 110.18(14) . . ?
O5 Si4 O4 109.28(15) . . ?
O5 Si4 O3 109.86(14) . . ?
O4 Si4 O3 109.02(13) . . ?
O5 Si4 C41 109.42(19) . . ?
O4 Si4 C41 111.64(15) . . ?
O3 Si4 C41 107.59(18) . . ?
O13 Si5 O8 108.89(14) . . ?
O13 Si5 O9 109.68(13) . . ?
O8 Si5 O9 109.87(13) . . ?
O13 Si5 C51 108.78(14) . . ?
O8 Si5 C51 109.16(14) . . ?
O9 Si5 C51 110.42(15) . . ?
O9 Si6 O7 109.58(13) . . ?
O9 Si6 O10 108.21(13) . . ?
O7 Si6 O10 109.89(13) . . ?
O9 Si6 C61 111.09(14) . . ?
O7 Si6 C61 108.75(14) . . ?
O10 Si6 C61 109.32(14) . . ?
O11 Si7 O6 109.22(14) . . ?
O11 Si7 O10 108.13(13) . . ?
O6 Si7 O10 109.05(13) . . ?
O11 Si7 C71 111.74(16) . . ?
O6 Si7 C71 107.43(16) . . ?
O10 Si7 C71 111.24(15) . . ?
O12 Si8 O5 109.49(17) . . ?
O12 Si8 O11 108.53(15) . . ?
O5 Si8 O11 108.70(14) . . ?
O12 Si8 C81 108.79(15) . . ?
O5 Si8 C81 110.43(16) . . ?
O11 Si8 C81 110.87(15) . . ?
O13 Si9 O12 108.17(14) . . ?
O13 Si9 C92 108.91(17) . . ?
O12 Si9 C92 106.95(19) . . ?
O13 Si9 C91 110.1(2) . . ?
O12 Si9 C91 108.2(2) . . ?
C92 Si9 C91 114.3(3) . . ?
Si1 O1 Si2 152.33(16) . . ?
Si3 O2 Si2 143.53(16) . . ?
Si3 O3 Si4 148.98(17) . . ?
Si4 O4 Si1 152.88(17) . . ?
Si4 O5 Si8 157.1(2) . . ?
Si3 O6 Si7 152.83(17) . . ?
Si2 O7 Si6 149.46(16) . . ?
Si5 O8 Si1 151.70(16) . . ?
Si5 O9 Si6 159.01(17) . . ?
Si6 O10 Si7 143.92(16) . . ?
Si7 O11 Si8 152.73(18) . . ?
Si8 O12 Si9 145.45(18) . . ?
Si5 O13 Si9 156.64(19) . . ?
C16 C11 C12 116.7(3) . . ?
C16 C11 Si1 122.5(3) . . ?
C12 C11 Si1 120.8(2) . . ?
C13 C12 C11 121.8(4) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C12 C13 C14 119.7(4) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 119.8(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 121.1(4) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C11 C16 C15 120.8(4) . . ?
C11 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C26 C21 C22 117.3(3) . . ?
C26 C21 Si2 121.0(3) . . ?
C22 C21 Si2 121.7(3) . . ?
C23 C22 C21 121.0(4) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 120.1(5) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.5(4) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 119.6(4) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 121.6(4) . . ?
C21 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C32 C31 C36 115.9(4) . . ?
C32 C31 Si3 121.7(4) . . ?
C36 C31 Si3 122.4(3) . . ?
C31 C32 C33 123.6(6) . . ?
C31 C32 H32 118.2 . . ?
C33 C32 H32 118.2 . . ?
C34 C33 C32 118.6(6) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C35 C34 C33 120.8(6) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C31 C36 C35 121.5(6) . . ?
C31 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C46 C41 C42 118.7(5) . . ?
C46 C41 Si4 120.0(5) . . ?
C42 C41 Si4 121.2(4) . . ?
C43 C42 C41 121.4(8) . . ?
C43 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
C44 C43 C42 119.1(11) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C43 C44 C45 124.3(10) . . ?
C43 C44 H44 117.9 . . ?
C45 C44 H44 117.9 . . ?
C44 C45 C46 118.7(9) . . ?
C44 C45 H45 120.6 . . ?
C46 C45 H45 120.6 . . ?
C41 C46 C45 117.7(8) . . ?
C41 C46 H46 121.1 . . ?
C45 C46 H46 121.1 . . ?
C52 C51 C56 117.2(3) . . ?
C52 C51 Si5 121.0(3) . . ?
C56 C51 Si5 121.7(3) . . ?
C51 C52 C53 120.3(4) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C54 C53 C52 120.8(5) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C53 C54 C55 120.0(4) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 C56 119.6(4) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C55 C56 C51 122.1(4) . . ?
C55 C56 H56 119.0 . . ?
C51 C56 H56 119.0 . . ?
C62 C61 C66 116.8(3) . . ?
C62 C61 Si6 121.4(3) . . ?
C66 C61 Si6 121.8(3) . . ?
C61 C62 C63 122.5(5) . . ?
C61 C62 H62 118.7 . . ?
C63 C62 H62 118.7 . . ?
C64 C63 C62 119.4(5) . . ?
C64 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
C65 C64 C63 120.2(4) . . ?
C65 C64 H64 119.9 . . ?
C63 C64 H64 119.9 . . ?
C64 C65 C66 120.3(5) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C61 C66 C65 120.7(4) . . ?
C61 C66 H66 119.7 . . ?
C65 C66 H66 119.7 . . ?
C72 C71 C76 114.9(4) . . ?
C72 C71 Si7 123.2(4) . . ?
C76 C71 Si7 121.0(3) . . ?
C71 C72 C73 121.8(6) . . ?
C71 C72 H72 119.1 . . ?
C73 C72 H72 119.1 . . ?
C74 C73 C72 121.5(7) . . ?
C74 C73 H73 119.3 . . ?
C72 C73 H73 119.3 . . ?
C73 C74 C75 119.9(6) . . ?
C73 C74 H74 120.1 . . ?
C75 C74 H74 120.1 . . ?
C74 C75 C76 119.9(6) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C71 C76 C75 121.3(5) . . ?
C71 C76 H76 119.3 . . ?
C75 C76 H76 119.3 . . ?
C82 C81 C86 116.6(3) . . ?
C82 C81 Si8 121.6(3) . . ?
C86 C81 Si8 121.7(3) . . ?
C81 C82 C83 122.2(5) . . ?
C81 C82 H82 118.9 . . ?
C83 C82 H82 118.9 . . ?
C84 C83 C82 119.1(5) . . ?
C84 C83 H83 120.4 . . ?
C82 C83 H83 120.4 . . ?
C85 C84 C83 120.3(4) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.6(5) . . ?
C84 C85 H85 119.7 . . ?
C86 C85 H85 119.7 . . ?
C85 C86 C81 121.3(4) . . ?
C85 C86 H86 119.4 . . ?
C81 C86 H86 119.4 . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 Si9 113.3(4) . . ?
C93 C92 H92A 108.9 . . ?
Si9 C92 H92A 108.9 . . ?
C93 C92 H92B 108.9 . . ?
Si9 C92 H92B 108.9 . . ?
H92A C92 H92B 107.7 . . ?
C94 C93 C92 135.0(10) . . ?
C94 C93 H93 112.5 . . ?
C92 C93 H93 112.5 . . ?
C93 C94 H94A 120.0 . . ?
C93 C94 H94B 120.0 . . ?
H94A C94 H94B 120.0 . . ?

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
O8 Si1 O1 Si2 -54.0(4) . . . . ?
O4 Si1 O1 Si2 65.0(4) . . . . ?
C11 Si1 O1 Si2 -173.4(3) . . . . ?
O7 Si2 O1 Si1 43.7(4) . . . . ?
O2 Si2 O1 Si1 -74.5(4) . . . . ?
C21 Si2 O1 Si1 165.2(3) . . . . ?
O6 Si3 O2 Si2 65.1(3) . . . . ?
O3 Si3 O2 Si2 -54.5(3) . . . . ?
C31 Si3 O2 Si2 -174.7(3) . . . . ?
O7 Si2 O2 Si3 -66.7(3) . . . . ?
O1 Si2 O2 Si3 52.3(3) . . . . ?
C21 Si2 O2 Si3 172.2(3) . . . . ?
O6 Si3 O3 Si4 -41.4(4) . . . . ?
O2 Si3 O3 Si4 77.7(3) . . . . ?
C31 Si3 O3 Si4 -161.5(3) . . . . ?
O5 Si4 O3 Si3 51.9(4) . . . . ?
O4 Si4 O3 Si3 -67.8(4) . . . . ?
C41 Si4 O3 Si3 171.0(3) . . . . ?
O5 Si4 O4 Si1 -96.3(4) . . . . ?
O3 Si4 O4 Si1 23.8(4) . . . . ?
C41 Si4 O4 Si1 142.5(4) . . . . ?
O1 Si1 O4 Si4 -21.9(4) . . . . ?
O8 Si1 O4 Si4 98.1(4) . . . . ?
C11 Si1 O4 Si4 -142.1(4) . . . . ?
O4 Si4 O5 Si8 75.2(6) . . . . ?
O3 Si4 O5 Si8 -44.4(6) . . . . ?
C41 Si4 O5 Si8 -162.3(5) . . . . ?
O12 Si8 O5 Si4 -109.9(6) . . . . ?
O11 Si8 O5 Si4 8.5(6) . . . . ?
C81 Si8 O5 Si4 130.3(5) . . . . ?
O3 Si3 O6 Si7 59.8(4) . . . . ?
O2 Si3 O6 Si7 -59.9(4) . . . . ?
C31 Si3 O6 Si7 179.6(4) . . . . ?
O11 Si7 O6 Si3 -59.2(4) . . . . ?
O10 Si7 O6 Si3 58.7(4) . . . . ?
C71 Si7 O6 Si3 179.4(4) . . . . ?
O1 Si2 O7 Si6 -55.1(4) . . . . ?
O2 Si2 O7 Si6 63.1(4) . . . . ?
C21 Si2 O7 Si6 -176.0(3) . . . . ?
O9 Si6 O7 Si2 56.1(4) . . . . ?
O10 Si6 O7 Si2 -62.7(4) . . . . ?
C61 Si6 O7 Si2 177.7(3) . . . . ?
O13 Si5 O8 Si1 91.8(4) . . . . ?
O9 Si5 O8 Si1 -28.3(4) . . . . ?
C51 Si5 O8 Si1 -149.5(4) . . . . ?
O1 Si1 O8 Si5 54.4(4) . . . . ?
O4 Si1 O8 Si5 -65.1(4) . . . . ?
C11 Si1 O8 Si5 173.7(3) . . . . ?
O13 Si5 O9 Si6 -138.5(5) . . . . ?
O8 Si5 O9 Si6 -18.9(5) . . . . ?
C51 Si5 O9 Si6 101.6(5) . . . . ?
O7 Si6 O9 Si5 2.1(5) . . . . ?
O10 Si6 O9 Si5 121.9(5) . . . . ?
C61 Si6 O9 Si5 -118.1(5) . . . . ?
O9 Si6 O10 Si7 -56.8(3) . . . . ?
O7 Si6 O10 Si7 62.9(3) . . . . ?
C61 Si6 O10 Si7 -177.9(3) . . . . ?
O11 Si7 O10 Si6 58.1(3) . . . . ?
O6 Si7 O10 Si6 -60.5(3) . . . . ?
C71 Si7 O10 Si6 -178.8(3) . . . . ?
O6 Si7 O11 Si8 -19.1(4) . . . . ?
O10 Si7 O11 Si8 -137.7(4) . . . . ?
C71 Si7 O11 Si8 99.6(4) . . . . ?
O12 Si8 O11 Si7 161.8(4) . . . . ?
O5 Si8 O11 Si7 42.8(4) . . . . ?
C81 Si8 O11 Si7 -78.7(4) . . . . ?
O5 Si8 O12 Si9 96.6(4) . . . . ?
O11 Si8 O12 Si9 -21.9(4) . . . . ?
C81 Si8 O12 Si9 -142.6(4) . . . . ?
O13 Si9 O12 Si8 -50.0(4) . . . . ?
C92 Si9 O12 Si8 -167.2(4) . . . . ?
C91 Si9 O12 Si8 69.2(4) . . . . ?
O8 Si5 O13 Si9 -127.2(4) . . . . ?
O9 Si5 O13 Si9 -6.9(5) . . . . ?
C51 Si5 O13 Si9 113.9(4) . . . . ?
O12 Si9 O13 Si5 79.8(5) . . . . ?
C92 Si9 O13 Si5 -164.3(4) . . . . ?
C91 Si9 O13 Si5 -38.2(5) . . . . ?
O1 Si1 C11 C16 4.5(3) . . . . ?
O8 Si1 C11 C16 -115.5(3) . . . . ?
O4 Si1 C11 C16 125.0(3) . . . . ?
O1 Si1 C11 C12 -176.3(3) . . . . ?
O8 Si1 C11 C12 63.6(3) . . . . ?
O4 Si1 C11 C12 -55.9(3) . . . . ?
C16 C11 C12 C13 -0.4(6) . . . . ?
Si1 C11 C12 C13 -179.6(3) . . . . ?
C11 C12 C13 C14 0.3(7) . . . . ?
C12 C13 C14 C15 0.4(7) . . . . ?
C13 C14 C15 C16 -0.9(8) . . . . ?
C12 C11 C16 C15 -0.1(6) . . . . ?
Si1 C11 C16 C15 179.0(3) . . . . ?
C14 C15 C16 C11 0.8(7) . . . . ?
O7 Si2 C21 C26 156.3(3) . . . . ?
O1 Si2 C21 C26 35.3(3) . . . . ?
O2 Si2 C21 C26 -83.9(3) . . . . ?
O7 Si2 C21 C22 -22.5(4) . . . . ?
O1 Si2 C21 C22 -143.5(3) . . . . ?
O2 Si2 C21 C22 97.3(3) . . . . ?
C26 C21 C22 C23 0.7(6) . . . . ?
Si2 C21 C22 C23 179.6(4) . . . . ?
C21 C22 C23 C24 -1.4(8) . . . . ?
C22 C23 C24 C25 1.3(9) . . . . ?
C23 C24 C25 C26 -0.5(8) . . . . ?
C22 C21 C26 C25 0.1(6) . . . . ?
Si2 C21 C26 C25 -178.7(3) . . . . ?
C24 C25 C26 C21 -0.2(7) . . . . ?
O6 Si3 C31 C32 68.6(4) . . . . ?
O3 Si3 C31 C32 -171.5(3) . . . . ?
O2 Si3 C31 C32 -51.0(4) . . . . ?
O6 Si3 C31 C36 -111.4(4) . . . . ?
O3 Si3 C31 C36 8.5(4) . . . . ?
O2 Si3 C31 C36 129.0(3) . . . . ?
C36 C31 C32 C33 -0.5(7) . . . . ?
Si3 C31 C32 C33 179.5(5) . . . . ?
C31 C32 C33 C34 1.1(10) . . . . ?
C32 C33 C34 C35 -0.7(11) . . . . ?
C33 C34 C35 C36 -0.2(11) . . . . ?
C32 C31 C36 C35 -0.4(7) . . . . ?
Si3 C31 C36 C35 179.5(4) . . . . ?
C34 C35 C36 C31 0.8(9) . . . . ?
O5 Si4 C41 C46 -26.7(4) . . . . ?
O4 Si4 C41 C46 94.4(4) . . . . ?
O3 Si4 C41 C46 -146.0(4) . . . . ?
O5 Si4 C41 C42 149.0(4) . . . . ?
O4 Si4 C41 C42 -89.9(4) . . . . ?
O3 Si4 C41 C42 29.7(4) . . . . ?
C46 C41 C42 C43 -0.5(8) . . . . ?
Si4 C41 C42 C43 -176.3(5) . . . . ?
C41 C42 C43 C44 -0.7(12) . . . . ?
C42 C43 C44 C45 -0.9(18) . . . . ?
C43 C44 C45 C46 3.4(19) . . . . ?
C42 C41 C46 C45 3.0(8) . . . . ?
Si4 C41 C46 C45 178.8(5) . . . . ?
C44 C45 C46 C41 -4.4(13) . . . . ?
O13 Si5 C51 C52 -94.2(3) . . . . ?
O8 Si5 C51 C52 147.1(3) . . . . ?
O9 Si5 C51 C52 26.3(4) . . . . ?
O13 Si5 C51 C56 82.6(3) . . . . ?
O8 Si5 C51 C56 -36.1(3) . . . . ?
O9 Si5 C51 C56 -157.0(3) . . . . ?
C56 C51 C52 C53 1.0(7) . . . . ?
Si5 C51 C52 C53 177.9(4) . . . . ?
C51 C52 C53 C54 -0.7(9) . . . . ?
C52 C53 C54 C55 -0.8(9) . . . . ?
C53 C54 C55 C56 2.0(8) . . . . ?
C54 C55 C56 C51 -1.6(6) . . . . ?
C52 C51 C56 C55 0.1(6) . . . . ?
Si5 C51 C56 C55 -176.7(3) . . . . ?
O9 Si6 C61 C62 87.2(4) . . . . ?
O7 Si6 C61 C62 -33.5(4) . . . . ?
O10 Si6 C61 C62 -153.4(4) . . . . ?
O9 Si6 C61 C66 -93.4(3) . . . . ?
O7 Si6 C61 C66 145.9(3) . . . . ?
O10 Si6 C61 C66 25.9(4) . . . . ?
C66 C61 C62 C63 2.8(8) . . . . ?
Si6 C61 C62 C63 -177.8(5) . . . . ?
C61 C62 C63 C64 -1.4(9) . . . . ?
C62 C63 C64 C65 -0.4(9) . . . . ?
C63 C64 C65 C66 0.6(8) . . . . ?
C62 C61 C66 C65 -2.5(6) . . . . ?
Si6 C61 C66 C65 178.1(3) . . . . ?
C64 C65 C66 C61 0.9(7) . . . . ?
O11 Si7 C71 C72 6.7(6) . . . . ?
O6 Si7 C71 C72 126.5(5) . . . . ?
O10 Si7 C71 C72 -114.3(5) . . . . ?
O11 Si7 C71 C76 -162.2(4) . . . . ?
O6 Si7 C71 C76 -42.4(4) . . . . ?
O10 Si7 C71 C76 76.8(4) . . . . ?
C76 C71 C72 C73 -7.9(11) . . . . ?
Si7 C71 C72 C73 -177.4(7) . . . . ?
C71 C72 C73 C74 2.0(16) . . . . ?
C72 C73 C74 C75 5.2(16) . . . . ?
C73 C74 C75 C76 -5.9(13) . . . . ?
C72 C71 C76 C75 7.0(9) . . . . ?
Si7 C71 C76 C75 176.8(5) . . . . ?
C74 C75 C76 C71 -0.4(11) . . . . ?
O12 Si8 C81 C82 -166.7(4) . . . . ?
O5 Si8 C81 C82 -46.6(4) . . . . ?
O11 Si8 C81 C82 74.0(4) . . . . ?
O12 Si8 C81 C86 15.9(4) . . . . ?
O5 Si8 C81 C86 136.1(3) . . . . ?
O11 Si8 C81 C86 -103.4(3) . . . . ?
C86 C81 C82 C83 0.3(7) . . . . ?
Si8 C81 C82 C83 -177.2(4) . . . . ?
C81 C82 C83 C84 0.0(9) . . . . ?
C82 C83 C84 C85 0.2(9) . . . . ?
C83 C84 C85 C86 -0.8(9) . . . . ?
C84 C85 C86 C81 1.2(7) . . . . ?
C82 C81 C86 C85 -0.9(6) . . . . ?
Si8 C81 C86 C85 176.5(3) . . . . ?
O13 Si9 C92 C93 168.2(6) . . . . ?
O12 Si9 C92 C93 -75.1(6) . . . . ?
C91 Si9 C92 C93 44.6(7) . . . . ?
Si9 C92 C93 C94 142.3(16) . . . . ?

_refine_diff_density_max         0.974
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.061

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2043903'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-11 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C74 H62 O13 Si10'
_chemical_formula_sum            'C74 H62 O13 Si10'
_chemical_formula_weight         1440.13

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.9318(3)
_cell_length_b                   20.1891(7)
_cell_length_c                   33.9032(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.496(3)
_cell_angle_gamma                90
_cell_volume                     7480.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    7963
_cell_measurement_theta_min      3.5900
_cell_measurement_theta_max      25.8310

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_F_000             3000
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    0.236
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.79994
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      295(2)
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.2413
_diffrn_reflns_number            31815
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         3.242
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             13121
_reflns_number_gt                7494
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          disorder
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0969P)²+0.2500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13121
_refine_ls_number_parameters     1144
_refine_ls_number_restraints     962
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1990
_refine_ls_wR_factor_gt          0.1705
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.53611(10) 0.39530(5) 0.62793(3) 0.0532(3) Uani 1 1 d . . . . .
C11 C 0.4327(5) 0.4671(3) 0.6233(2) 0.0616(19) Uani 0.75 1 d G U P A 1
C16 C 0.4690(5) 0.5237(3) 0.6034(2) 0.103(4) Uani 0.75 1 d G . P A 1
H16 H 0.5464 0.5258 0.5927 0.124 Uiso 0.75 1 calc R U P A 1
C15 C 0.3895(7) 0.5772(3) 0.5994(3) 0.144(5) Uani 0.75 1 d G U P A 1
H15 H 0.4137 0.6150 0.5861 0.173 Uiso 0.75 1 calc R U P A 1
C14 C 0.2737(7) 0.5740(3) 0.6153(3) 0.161(5) Uani 0.75 1 d G U P A 1
H14 H 0.2205 0.6098 0.6127 0.193 Uiso 0.75 1 calc R U P A 1
C13 C 0.2375(6) 0.5174(4) 0.6352(3) 0.200(6) Uani 0.75 1 d G U P A 1
H13 H 0.1600 0.5153 0.6459 0.240 Uiso 0.75 1 calc R U P A 1
C12 C 0.3170(6) 0.4639(3) 0.6392(2) 0.161(5) Uani 0.75 1 d G U P A 1
H12 H 0.2927 0.4261 0.6525 0.193 Uiso 0.75 1 calc R U P A 1
Si2 Si 0.47358(9) 0.29269(5) 0.69396(3) 0.0481(3) Uani 1 1 d . . . . .
C21 C 0.3356(5) 0.3078(3) 0.72310(19) 0.054(2) Uani 0.75 1 d G U P B 1
C22 C 0.2254(6) 0.3273(3) 0.70530(17) 0.105(3) Uani 0.75 1 d G U P B 1
H22 H 0.2189 0.3313 0.6780 0.126 Uiso 0.75 1 calc R U P B 1
C23 C 0.1249(5) 0.3407(4) 0.7283(2) 0.153(4) Uani 0.75 1 d G U P B 1
H23 H 0.0512 0.3537 0.7164 0.184 Uiso 0.75 1 calc R U P B 1
C24 C 0.1347(6) 0.3347(4) 0.7691(2) 0.144(4) Uani 0.75 1 d G U P B 1
H24 H 0.0675 0.3436 0.7845 0.173 Uiso 0.75 1 calc R U P B 1
C25 C 0.2449(7) 0.3152(4) 0.78691(17) 0.144(4) Uani 0.75 1 d G U P B 1
H25 H 0.2514 0.3112 0.8142 0.173 Uiso 0.75 1 calc R U P B 1
C26 C 0.3454(6) 0.3018(3) 0.76391(19) 0.098(3) Uani 0.75 1 d G U P B 1
H26 H 0.4191 0.2888 0.7758 0.117 Uiso 0.75 1 calc R U P B 1
Si3 Si 0.73668(9) 0.31155(6) 0.73047(3) 0.0537(3) Uani 1 1 d . . . . .
Si4 Si 0.79841(10) 0.41452(6) 0.66685(3) 0.0586(3) Uani 1 1 d . . . . .
Si5 Si 0.54422(10) 0.14953(5) 0.66979(3) 0.0564(3) Uani 1 1 d . . . . .
C51 C 0.508(2) 0.0852(9) 0.7055(5) 0.067(6) Uani 0.3333 1 d G U P C 1
C56 C 0.511(2) 0.1038(8) 0.7450(6) 0.116(9) Uani 0.3333 1 d G U P C 1
H56 H 0.5228 0.1480 0.7518 0.139 Uiso 0.3333 1 calc R U P C 1
C55 C 0.496(2) 0.0565(11) 0.7742(5) 0.135(9) Uani 0.3333 1 d G U P C 1
H55 H 0.4980 0.0690 0.8007 0.162 Uiso 0.3333 1 calc R U P C 1
C54 C 0.4786(19) -0.0096(10) 0.7640(5) 0.160(9) Uani 0.3333 1 d G U P C 1
H54 H 0.4686 -0.0413 0.7836 0.191 Uiso 0.3333 1 calc R U P C 1
C53 C 0.4758(16) -0.0283(8) 0.7245(6) 0.123(7) Uani 0.3333 1 d G U P C 1
H53 H 0.4640 -0.0724 0.7177 0.148 Uiso 0.3333 1 calc R U P C 1
C52 C 0.4907(16) 0.0191(10) 0.6953(5) 0.086(5) Uani 0.3333 1 d G U P C 1
H52 H 0.4888 0.0066 0.6689 0.103 Uiso 0.3333 1 calc R U P C 1
Si6 Si 0.81540(10) 0.19820(6) 0.67539(3) 0.0583(3) Uani 1 1 d . . . . .
Si7 Si 0.88570(9) 0.30453(6) 0.61162(3) 0.0558(3) Uani 1 1 d . . . . .
C71 C 1.0392(3) 0.2921(2) 0.59144(11) 0.0638(11) Uani 1 1 d G . . . .
C76A C 1.1303(5) 0.2643(5) 0.61551(14) 0.066(5) Uani 0.25 1 d G . P D 2
H76A H 1.1141 0.2535 0.6415 0.079 Uiso 0.25 1 calc R U P D 2
C75A C 1.2457(5) 0.2525(6) 0.6007(2) 0.079(6) Uani 0.25 1 d G . P D 2
H75A H 1.3067 0.2339 0.6168 0.095 Uiso 0.25 1 calc R U P D 2
C74 C 1.2699(4) 0.2686(5) 0.5618(2) 0.146(3) Uani 1 1 d G . . D .
H74A H 1.3471 0.2607 0.5519 0.176 Uiso 0.25 1 calc R U P E 2
H74 H 1.3470 0.2600 0.5520 0.176 Uiso 0.75 1 calc R U P F 1
C73A C 1.1788(6) 0.2964(6) 0.53773(16) 0.100(8) Uani 0.25 1 d G . P D 2
H73A H 1.1950 0.3072 0.5117 0.120 Uiso 0.25 1 calc R U P D 2
C72A C 1.0634(5) 0.3082(5) 0.55255(14) 0.075(5) Uani 0.25 1 d G . P D 2
H72A H 1.0024 0.3268 0.5364 0.090 Uiso 0.25 1 calc R U P D 2
C72 C 1.1176(6) 0.3434(5) 0.5896(2) 0.119(3) Uani 0.75 1 d . U P D 1
H72 H 1.0946 0.3857 0.5973 0.142 Uiso 0.75 1 calc R U P D 1
C73 C 1.2400(7) 0.3305(7) 0.5749(3) 0.150(4) Uani 0.75 1 d . U P D 1
H73 H 1.2975 0.3644 0.5744 0.180 Uiso 0.75 1 calc R U P D 1
C75 C 1.1888(11) 0.2226(7) 0.5634(5) 0.222(7) Uani 0.75 1 d . U P D 1
H75 H 1.2089 0.1800 0.5553 0.267 Uiso 0.75 1 calc R U P D 1
C76 C 1.0723(8) 0.2347(6) 0.5767(3) 0.170(4) Uani 0.75 1 d . U P D 1
H76 H 1.0149 0.2007 0.5753 0.204 Uiso 0.75 1 calc R U P D 1
Si8 Si 0.67310(10) 0.35026(6) 0.55543(3) 0.0552(3) Uani 1 1 d . . . . .
C81 C 0.7294(6) 0.4323(3) 0.53686(17) 0.075(3) Uani 0.75 1 d G U P G 1
C86 C 0.8284(7) 0.4657(3) 0.55408(18) 0.130(4) Uani 0.75 1 d G U P G 1
H86 H 0.8719 0.4467 0.5751 0.156 Uiso 0.75 1 calc R U P G 1
C85 C 0.8624(7) 0.5274(3) 0.5398(2) 0.170(5) Uani 0.75 1 d G U P G 1
H85 H 0.9286 0.5496 0.5514 0.204 Uiso 0.75 1 calc R U P G 1
C84 C 0.7974(9) 0.5557(3) 0.5084(2) 0.169(6) Uani 0.75 1 d G U P G 1
H84 H 0.8201 0.5970 0.4988 0.203 Uiso 0.75 1 calc R U P G 1
C83 C 0.6984(8) 0.5224(4) 0.4911(2) 0.173(5) Uani 0.75 1 d G U P G 1
H83 H 0.6549 0.5414 0.4701 0.208 Uiso 0.75 1 calc R U P G 1
C82 C 0.6643(7) 0.4607(4) 0.5054(2) 0.145(4) Uani 0.75 1 d G U P G 1
H82 H 0.5981 0.4384 0.4939 0.174 Uiso 0.75 1 calc R U P G 1
Si9 Si 0.63551(11) 0.24120(6) 0.49260(3) 0.0632(3) Uani 1 1 d . . . . .
C9 C 0.5869(5) 0.1664(3) 0.52004(15) 0.0977(16) Uani 1 1 d . . . . .
H9 H 0.5788 0.1281 0.5049 0.117 Uiso 1 1 calc R U . . .
C9A C 0.5374(3) 0.25468(17) 0.44722(8) 0.0718(12) Uani 1 1 d G U . . .
C9B C 0.4298(3) 0.29094(18) 0.44972(9) 0.0992(16) Uani 1 1 d G U . . .
H9B H 0.4055 0.3070 0.4740 0.119 Uiso 1 1 calc R U . . .
C9C C 0.3586(3) 0.3032(2) 0.41594(13) 0.136(2) Uani 1 1 d G U . . .
H9C H 0.2866 0.3274 0.4176 0.163 Uiso 1 1 calc R U . . .
C9D C 0.3950(4) 0.2792(2) 0.37966(10) 0.152(3) Uani 1 1 d G U . . .
H9D H 0.3474 0.2873 0.3571 0.183 Uiso 1 1 calc R U . . .
C9E C 0.5027(4) 0.2429(2) 0.37716(8) 0.158(3) Uani 1 1 d G U . . .
H9E H 0.5270 0.2268 0.3529 0.189 Uiso 1 1 calc R U . . .
C9F C 0.5738(3) 0.2307(2) 0.41094(10) 0.124(2) Uani 1 1 d G U . . .
H9F H 0.6458 0.2064 0.4093 0.149 Uiso 1 1 calc R U . . .
C9G C 0.7993(3) 0.23403(17) 0.47910(10) 0.0716(12) Uani 1 1 d G . . . .
C9H C 0.8650(4) 0.17595(16) 0.48565(13) 0.132(2) Uani 1 1 d G . . . .
H9H H 0.8275 0.1397 0.4971 0.158 Uiso 1 1 calc R U . . .
C9I C 0.9868(4) 0.1721(2) 0.47505(15) 0.166(3) Uani 1 1 d G . . . .
H9I H 1.0307 0.1333 0.4794 0.199 Uiso 1 1 calc R U . . .
C9J C 1.0428(3) 0.2264(3) 0.45789(14) 0.142(3) Uani 1 1 d G . . . .
H9J H 1.1243 0.2238 0.4508 0.171 Uiso 1 1 calc R U . . .
C9K C 0.9771(4) 0.2845(2) 0.45134(13) 0.133(2) Uani 1 1 d G . . . .
H9K H 1.0146 0.3208 0.4399 0.160 Uiso 1 1 calc R U . . .
C9L C 0.8554(4) 0.28829(15) 0.46195(11) 0.1010(17) Uani 1 1 d G . . . .
H9L H 0.8114 0.3272 0.4576 0.121 Uiso 1 1 calc R U . . .
Si10 Si 0.50880(12) 0.09015(6) 0.58511(4) 0.0706(4) Uani 1 1 d . . . . .
C10 C 0.5642(5) 0.1598(2) 0.55460(15) 0.0939(16) Uani 1 1 d . . . . .
H10 H 0.5774 0.1984 0.5691 0.113 Uiso 1 1 calc R U . . .
C10G C 0.6218(3) 0.02052(15) 0.58715(10) 0.0818(13) Uani 1 1 d G U . . .
C10H C 0.7432(4) 0.03397(18) 0.59733(14) 0.135(2) Uani 1 1 d G U . . .
H10H H 0.7690 0.0775 0.6008 0.163 Uiso 1 1 calc R U . . .
C10I C 0.8262(3) -0.0177(3) 0.60233(15) 0.176(3) Uani 1 1 d G U . . .
H10I H 0.9075 -0.0087 0.6091 0.211 Uiso 1 1 calc R U . . .
C10J C 0.7878(4) -0.0828(2) 0.59715(15) 0.161(3) Uani 1 1 d G U . . .
H10J H 0.8433 -0.1174 0.6005 0.193 Uiso 1 1 calc R U . . .
C10K C 0.6663(5) -0.09626(14) 0.58697(14) 0.160(3) Uani 1 1 d G U . . .
H10K H 0.6406 -0.1398 0.5835 0.193 Uiso 1 1 calc R U . . .
C10L C 0.5833(3) -0.04460(18) 0.58198(12) 0.1162(19) Uani 1 1 d G U . . .
H10L H 0.5020 -0.0536 0.5752 0.139 Uiso 1 1 calc R U . . .
O1 O 0.4772(2) 0.34077(12) 0.65628(7) 0.0617(7) Uani 1 1 d . . . . .
O2 O 0.7879(2) 0.37696(13) 0.70856(7) 0.0611(7) Uani 1 1 d . . . . .
O3 O 0.5904(2) 0.30660(13) 0.72244(7) 0.0629(7) Uani 1 1 d . . . . .
O4 O 0.8009(2) 0.24638(13) 0.71288(7) 0.0641(7) Uani 1 1 d . . . . .
O5 O 0.5649(2) 0.36104(13) 0.58603(7) 0.0617(7) Uani 1 1 d . . . . .
O6 O 0.8833(2) 0.37063(14) 0.63851(7) 0.0700(8) Uani 1 1 d . . . . .
O7 O 0.6634(2) 0.42143(12) 0.64701(7) 0.0617(7) Uani 1 1 d . . . . .
O8 O 0.6877(2) 0.16389(13) 0.66474(9) 0.0754(8) Uani 1 1 d . . . . .
O9 O 0.8522(2) 0.24230(14) 0.63809(8) 0.0733(8) Uani 1 1 d . . . . .
O10 O 0.4749(2) 0.21764(12) 0.67881(8) 0.0711(8) Uani 1 1 d . . . . .
O11 O 0.4903(3) 0.11923(13) 0.62946(8) 0.0734(8) Uani 1 1 d . . . . .
O12 O 0.6174(2) 0.30611(13) 0.51998(7) 0.0659(7) Uani 1 1 d . . . . .
O13 O 0.7839(2) 0.31103(14) 0.57673(7) 0.0654(7) Uani 1 1 d . . . . .
C11A C 0.4128(14) 0.4562(9) 0.6136(6) 0.065(7) Uani 0.25 1 d G U P A 2
C16A C 0.4449(13) 0.5228(11) 0.6125(6) 0.069(9) Uani 0.25 1 d G . P A 2
H16A H 0.5261 0.5354 0.6165 0.083 Uiso 0.25 1 calc R U P A 2
C15A C 0.3556(18) 0.5707(8) 0.6054(7) 0.067(6) Uani 0.25 1 d G U P A 2
H15A H 0.3770 0.6152 0.6046 0.080 Uiso 0.25 1 calc R U P A 2
C14A C 0.2342(16) 0.5519(7) 0.5993(7) 0.119(9) Uani 0.25 1 d G U P A 2
H14A H 0.1744 0.5839 0.5946 0.143 Uiso 0.25 1 calc R U P A 2
C13A C 0.2021(12) 0.4853(8) 0.6004(7) 0.129(8) Uani 0.25 1 d G U P A 2
H13A H 0.1208 0.4728 0.5964 0.155 Uiso 0.25 1 calc R U P A 2
C12A C 0.2914(15) 0.4375(7) 0.6075(6) 0.102(7) Uani 0.25 1 d G U P A 2
H12A H 0.2699 0.3929 0.6082 0.122 Uiso 0.25 1 calc R U P A 2
C41 C 0.8758(6) 0.4940(3) 0.6741(2) 0.096(3) Uani 0.75 1 d G U P H 1
C46 C 0.9671(7) 0.5031(3) 0.70290(19) 0.199(4) Uani 0.75 1 d G U P H 1
H46 H 0.9910 0.4680 0.7191 0.238 Uiso 0.75 1 calc R U P H 1
C45 C 1.0227(7) 0.5647(4) 0.7074(2) 0.219(5) Uani 0.75 1 d G U P H 1
H45 H 1.0838 0.5708 0.7267 0.263 Uiso 0.75 1 calc R U P H 1
C44 C 0.9870(8) 0.6171(3) 0.6832(3) 0.232(5) Uani 0.75 1 d G U P H 1
H44 H 1.0242 0.6583 0.6862 0.278 Uiso 0.75 1 calc R U P H 1
C43 C 0.8957(8) 0.6079(3) 0.6544(3) 0.219(5) Uani 0.75 1 d G U P H 1
H43 H 0.8718 0.6430 0.6381 0.263 Uiso 0.75 1 calc R U P H 1
C42 C 0.8401(6) 0.5464(3) 0.6499(2) 0.198(4) Uani 0.75 1 d G U P H 1
H42 H 0.7790 0.5403 0.6306 0.237 Uiso 0.75 1 calc R U P H 1
C51B C 0.522(2) 0.0924(15) 0.7109(6) 0.100(10) Uani 0.3333 1 d G U P C 2
C56B C 0.455(2) 0.1132(12) 0.7428(8) 0.167(11) Uani 0.3333 1 d G U P C 2
H56B H 0.4278 0.1568 0.7441 0.200 Uiso 0.3333 1 calc R U P C 2
C55B C 0.428(2) 0.0689(14) 0.7727(7) 0.231(14) Uani 0.3333 1 d G U P C 2
H55B H 0.3825 0.0828 0.7940 0.277 Uiso 0.3333 1 calc R U P C 2
C54B C 0.468(3) 0.0037(13) 0.7707(8) 0.253(15) Uani 0.3333 1 d G U P C 2
H54B H 0.4500 -0.0259 0.7907 0.304 Uiso 0.3333 1 calc R U P C 2
C53B C 0.536(3) -0.0171(12) 0.7388(10) 0.225(14) Uani 0.3333 1 d G U P C 2
H53B H 0.5627 -0.0607 0.7375 0.270 Uiso 0.3333 1 calc R U P C 2
C52B C 0.563(3) 0.0272(16) 0.7089(7) 0.170(11) Uani 0.3333 1 d G U P C 2
H52B H 0.6080 0.0133 0.6876 0.204 Uiso 0.3333 1 calc R U P C 2
C51A C 0.536(2) 0.0924(10) 0.7137(4) 0.067(7) Uani 0.3333 1 d G U P C 3
C56A C 0.5568(17) 0.1127(8) 0.7524(5) 0.107(7) Uani 0.3333 1 d G U P C 3
H56A H 0.5580 0.1576 0.7586 0.128 Uiso 0.3333 1 calc R U P C 3
C55A C 0.5755(14) 0.0659(11) 0.7821(4) 0.132(8) Uani 0.3333 1 d G U P C 3
H55A H 0.5891 0.0795 0.8080 0.159 Uiso 0.3333 1 calc R U P C 3
C54A C 0.5737(15) -0.0012(10) 0.7729(6) 0.154(8) Uani 0.3333 1 d G U P C 3
H54A H 0.5862 -0.0325 0.7927 0.185 Uiso 0.3333 1 calc R U P C 3
C53A C 0.553(2) -0.0215(9) 0.7341(7) 0.163(10) Uani 0.3333 1 d G U P C 3
H53A H 0.5521 -0.0664 0.7280 0.196 Uiso 0.3333 1 calc R U P C 3
C52A C 0.535(3) 0.0253(11) 0.7045(5) 0.135(10) Uani 0.3333 1 d G U P C 3
H52A H 0.5210 0.0117 0.6786 0.162 Uiso 0.3333 1 calc R U P C 3
C31 C 0.7758(7) 0.3144(4) 0.78372(16) 0.066(3) Uani 0.6667 1 d G U P I 1
C36 C 0.7824(7) 0.3756(3) 0.80237(18) 0.114(4) Uani 0.6667 1 d G U P I 1
H36 H 0.7635 0.4140 0.7883 0.136 Uiso 0.6667 1 calc R U P I 1
C35 C 0.8174(7) 0.3795(3) 0.84201(18) 0.132(4) Uani 0.6667 1 d G U P I 1
H35 H 0.8219 0.4205 0.8545 0.158 Uiso 0.6667 1 calc R U P I 1
C34 C 0.8458(7) 0.3222(4) 0.86300(16) 0.114(4) Uani 0.6667 1 d G U P I 1
H34 H 0.8692 0.3248 0.8895 0.137 Uiso 0.6667 1 calc R U P I 1
C33 C 0.8391(8) 0.2609(3) 0.8443(2) 0.143(5) Uani 0.6667 1 d G U P I 1
H33 H 0.8581 0.2225 0.8584 0.171 Uiso 0.6667 1 calc R U P I 1
C32 C 0.8041(8) 0.2570(3) 0.8047(2) 0.113(4) Uani 0.6667 1 d G U P I 1
H32 H 0.7997 0.2160 0.7922 0.135 Uiso 0.6667 1 calc R U P I 1
C31A C 0.7607(13) 0.3278(8) 0.7841(3) 0.074(6) Uani 0.3333 1 d G U P I 2
C36A C 0.6991(11) 0.3794(8) 0.8021(4) 0.099(5) Uani 0.3333 1 d G U P I 2
H36A H 0.6417 0.4042 0.7877 0.118 Uiso 0.3333 1 calc R U P I 2
C35A C 0.7232(13) 0.3941(8) 0.8416(4) 0.128(7) Uani 0.3333 1 d G U P I 2
H35A H 0.6820 0.4286 0.8537 0.153 Uiso 0.3333 1 calc R U P I 2
C34A C 0.8089(14) 0.3571(9) 0.8631(3) 0.125(8) Uani 0.3333 1 d G U P I 2
H34A H 0.8251 0.3669 0.8896 0.150 Uiso 0.3333 1 calc R U P I 2
C33A C 0.8705(14) 0.3055(8) 0.8452(4) 0.118(7) Uani 0.3333 1 d G U P I 2
H33A H 0.9279 0.2808 0.8596 0.142 Uiso 0.3333 1 calc R U P I 2
C32A C 0.8464(14) 0.2909(7) 0.8057(4) 0.104(6) Uani 0.3333 1 d G U P I 2
H32A H 0.8876 0.2563 0.7936 0.125 Uiso 0.3333 1 calc R U P I 2
C84A C 0.8190(19) 0.5479(7) 0.5133(6) 0.130(10) Uani 0.25 1 d G U P G 2
H84A H 0.8506 0.5885 0.5055 0.156 Uiso 0.25 1 calc R U P G 2
C85A C 0.6935(18) 0.5402(7) 0.5171(5) 0.107(7) Uani 0.25 1 d G U P G 2
H85A H 0.6411 0.5756 0.5119 0.128 Uiso 0.25 1 calc R U P G 2
C86A C 0.6462(13) 0.4795(8) 0.5288(5) 0.086(6) Uani 0.25 1 d G U P G 2
H86A H 0.5623 0.4744 0.5313 0.103 Uiso 0.25 1 calc R U P G 2
C81A C 0.7245(15) 0.4266(6) 0.5366(5) 0.062(8) Uani 0.25 1 d G U P G 2
C82A C 0.8500(14) 0.4344(7) 0.5328(5) 0.091(6) Uani 0.25 1 d G U P G 2
H82A H 0.9023 0.3990 0.5381 0.109 Uiso 0.25 1 calc R U P G 2
C83A C 0.8972(14) 0.4950(9) 0.5212(6) 0.111(7) Uani 0.25 1 d G U P G 2
H83A H 0.9812 0.5002 0.5187 0.134 Uiso 0.25 1 calc R U P G 2
C61A C 0.9439(4) 0.1410(3) 0.6850(2) 0.077(2) Uani 0.75 1 d G U P J 1
C66A C 0.9226(5) 0.0733(3) 0.6875(2) 0.114(3) Uani 0.75 1 d G U P J 1
H66A H 0.8438 0.0568 0.6838 0.137 Uiso 0.75 1 calc R U P J 1
C65A C 1.0192(6) 0.0302(2) 0.6957(2) 0.152(4) Uani 0.75 1 d G U P J 1
H65A H 1.0050 -0.0151 0.6974 0.182 Uiso 0.75 1 calc R U P J 1
C64A C 1.1371(5) 0.0549(3) 0.7014(2) 0.148(4) Uani 0.75 1 d G U P J 1
H64A H 1.2017 0.0261 0.7068 0.177 Uiso 0.75 1 calc R U P J 1
C63A C 1.1584(4) 0.1226(4) 0.6988(2) 0.168(4) Uani 0.75 1 d G U P J 1
H63A H 1.2373 0.1391 0.7026 0.202 Uiso 0.75 1 calc R U P J 1
C62A C 1.0618(5) 0.1657(3) 0.6907(2) 0.146(4) Uani 0.75 1 d G U P J 1
H62A H 1.0761 0.2110 0.6890 0.175 Uiso 0.75 1 calc R U P J 1
C61B C 0.9019(14) 0.1215(7) 0.6890(6) 0.070(6) Uani 0.25 1 d G U P J 3
C66B C 0.8500(14) 0.0707(9) 0.7106(7) 0.157(10) Uani 0.25 1 d G U P J 3
H66B H 0.7683 0.0732 0.7176 0.188 Uiso 0.25 1 calc R U P J 3
C65B C 0.9200(19) 0.0161(9) 0.7219(8) 0.196(11) Uani 0.25 1 d G U P J 3
H65B H 0.8852 -0.0179 0.7364 0.235 Uiso 0.25 1 calc R U P J 3
C64B C 1.0420(18) 0.0122(10) 0.7115(8) 0.186(11) Uani 0.25 1 d G U P J 3
H64B H 1.0888 -0.0243 0.7191 0.224 Uiso 0.25 1 calc R U P J 3
C63B C 1.0939(14) 0.0630(12) 0.6899(7) 0.153(11) Uani 0.25 1 d G U P J 3
H63B H 1.1756 0.0604 0.6830 0.183 Uiso 0.25 1 calc R U P J 3
C62B C 1.0239(14) 0.1176(9) 0.6787(5) 0.107(7) Uani 0.25 1 d G U P J 3
H62B H 1.0587 0.1516 0.6642 0.129 Uiso 0.25 1 calc R U P J 3
C43A C 1.0021(11) 0.5867(9) 0.6724(5) 0.145(7) Uani 0.25 1 d G U P H 2
H43A H 1.0814 0.5987 0.6661 0.174 Uiso 0.25 1 calc R U P H 2
C44A C 0.9247(14) 0.6330(6) 0.6890(5) 0.123(7) Uani 0.25 1 d G U P H 2
H44A H 0.9521 0.6759 0.6938 0.148 Uiso 0.25 1 calc R U P H 2
C45A C 0.8062(12) 0.6151(4) 0.6985(4) 0.082(5) Uani 0.25 1 d G U P H 2
H45A H 0.7543 0.6460 0.7096 0.099 Uiso 0.25 1 calc R U P H 2
C46A C 0.7652(10) 0.5509(5) 0.6913(3) 0.061(4) Uani 0.25 1 d G U P H 2
H46A H 0.6859 0.5390 0.6976 0.073 Uiso 0.25 1 calc R U P H 2
C41A C 0.8427(13) 0.5046(4) 0.6747(3) 0.048(4) Uani 0.25 1 d G U P H 2
C42A C 0.9611(12) 0.5225(7) 0.6653(5) 0.112(6) Uani 0.25 1 d G U P H 2
H42A H 1.0130 0.4916 0.6542 0.135 Uiso 0.25 1 calc R U P H 2
C10A C 0.3509(7) 0.0603(4) 0.5689(3) 0.086(3) Uani 0.75 1 d G U P K 1
C10F C 0.3297(9) 0.0350(4) 0.5313(3) 0.103(3) Uani 0.75 1 d G U P K 1
H10F H 0.3939 0.0311 0.5140 0.123 Uiso 0.75 1 calc R U P K 1
C10E C 0.2125(10) 0.0154(5) 0.5194(2) 0.128(4) Uani 0.75 1 d G U P K 1
H10E H 0.1983 -0.0016 0.4942 0.154 Uiso 0.75 1 calc R U P K 1
C10D C 0.1165(7) 0.0211(5) 0.5453(3) 0.152(6) Uani 0.75 1 d G U P K 1
H10D H 0.0381 0.0080 0.5374 0.183 Uiso 0.75 1 calc R U P K 1
C10C C 0.1377(7) 0.0464(4) 0.5830(3) 0.154(4) Uani 0.75 1 d G U P K 1
H10C H 0.0734 0.0503 0.6003 0.185 Uiso 0.75 1 calc R U P K 1
C10B C 0.2549(8) 0.0661(4) 0.5948(2) 0.113(3) Uani 0.75 1 d G U P K 1
H10B H 0.2691 0.0830 0.6200 0.135 Uiso 0.75 1 calc R U P K 1
C10M C 0.3685(16) 0.0593(7) 0.5646(7) 0.046(5) Uani 0.25 1 d G U P K 2
C10N C 0.341(2) 0.0590(11) 0.5243(6) 0.070(6) Uani 0.25 1 d G U P K 2
H10N H 0.3951 0.0778 0.5068 0.084 Uiso 0.25 1 calc R U P K 2
C10O C 0.233(3) 0.0304(13) 0.5102(5) 0.107(9) Uani 0.25 1 d G U P K 2
H10O H 0.2144 0.0302 0.4833 0.128 Uiso 0.25 1 calc R U P K 2
C10P C 0.1520(19) 0.0022(11) 0.5364(7) 0.088(8) Uani 0.25 1 d G U P K 2
H10P H 0.0796 -0.0169 0.5270 0.106 Uiso 0.25 1 calc R U P K 2
C10R C 0.1795(17) 0.0025(10) 0.5767(6) 0.100(7) Uani 0.25 1 d G U P K 2
H10R H 0.1254 -0.0163 0.5942 0.120 Uiso 0.25 1 calc R U P K 2
C10S C 0.2877(19) 0.0311(8) 0.5907(5) 0.076(6) Uani 0.25 1 d G U P K 2
H10S H 0.3061 0.0314 0.6177 0.091 Uiso 0.25 1 calc R U P K 2
C21A C 0.335(2) 0.3094(12) 0.7217(10) 0.102(12) Uani 0.25 1 d G U P B 2
C22A C 0.229(3) 0.2896(13) 0.7012(8) 0.135(11) Uani 0.25 1 d G U P B 2
H22A H 0.2343 0.2723 0.6758 0.162 Uiso 0.25 1 calc R U P B 2
C23A C 0.116(2) 0.2956(15) 0.7185(9) 0.190(13) Uani 0.25 1 d G U P B 2
H23A H 0.0452 0.2823 0.7048 0.228 Uiso 0.25 1 calc R U P B 2
C24A C 0.108(2) 0.3214(18) 0.7564(9) 0.187(14) Uani 0.25 1 d G U P B 2
H24A H 0.0323 0.3254 0.7680 0.225 Uiso 0.25 1 calc R U P B 2
C25A C 0.214(2) 0.3412(16) 0.7769(7) 0.182(13) Uani 0.25 1 d G U P B 2
H25A H 0.2084 0.3585 0.8022 0.219 Uiso 0.25 1 calc R U P B 2
C26A C 0.3269(19) 0.3352(13) 0.7595(9) 0.147(12) Uani 0.25 1 d G U P B 2
H26A H 0.3974 0.3485 0.7733 0.176 Uiso 0.25 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O1 1.607(3) . ?
Si1 O7 1.608(3) . ?
Si1 O5 1.618(2) . ?
Si1 C11 1.842(5) . ?
Si1 C11A 1.880(14) . ?
C11 C16 1.3900 . ?
C11 C12 1.3900 . ?
C16 C15 1.3900 . ?
C16 H16 0.9300 . ?
C15 C14 1.3900 . ?
C15 H15 0.9300 . ?
C14 C13 1.3900 . ?
C14 H14 0.9300 . ?
C13 C12 1.3900 . ?
C13 H13 0.9300 . ?
C12 H12 0.9300 . ?
Si2 O10 1.600(3) . ?
Si2 O3 1.605(3) . ?
Si2 O1 1.606(3) . ?
Si2 C21A 1.84(2) . ?
Si2 C21 1.850(5) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
Si3 O4 1.613(3) . ?
Si3 O3 1.619(3) . ?
Si3 O2 1.622(3) . ?
Si3 C31 1.845(5) . ?
Si3 C31A 1.861(11) . ?
Si4 O2 1.611(3) . ?
Si4 O7 1.612(3) . ?
Si4 O6 1.617(3) . ?
Si4 C41 1.827(5) . ?
Si4 C41A 1.900(9) . ?
Si5 O11 1.596(3) . ?
Si5 O10 1.603(3) . ?
Si5 O8 1.608(3) . ?
Si5 C51 1.827(17) . ?
Si5 C51B 1.83(2) . ?
Si5 C51A 1.886(13) . ?
C51 C56 1.3900 . ?
C51 C52 1.3900 . ?
C56 C55 1.3900 . ?
C56 H56 0.9300 . ?
C55 C54 1.3900 . ?
C55 H55 0.9300 . ?
C54 C53 1.3900 . ?
C54 H54 0.9300 . ?
C53 C52 1.3900 . ?
C53 H53 0.9300 . ?
C52 H52 0.9300 . ?
Si6 O8 1.592(3) . ?
Si6 O9 1.606(3) . ?
Si6 O4 1.612(3) . ?
Si6 C61A 1.841(4) . ?
Si6 C61B 1.867(11) . ?
Si7 O9 1.592(3) . ?
Si7 O13 1.608(3) . ?
Si7 O6 1.617(3) . ?
Si7 C71 1.845(3) . ?
C71 C76 1.317(10) . ?
C71 C72 1.347(9) . ?
C71 C76A 1.3900 . ?
C71 C72A 1.3900 . ?
C76A C75A 1.3900 . ?
C76A H76A 0.9300 . ?
C75A C74 1.3900 . ?
C75A H75A 0.9300 . ?
C74 C75 1.287(14) . ?
C74 C73 1.369(13) . ?
C74 C73A 1.3900 . ?
C74 H74A 0.9300 . ?
C74 H74 0.9300 . ?
C73A C72A 1.3900 . ?
C73A H73A 0.9300 . ?
C72A H72A 0.9300 . ?
C72 C73 1.463(11) . ?
C72 H72 0.9300 . ?
C73 H73 0.9300 . ?
C75 C76 1.384(11) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
Si8 O13 1.603(3) . ?
Si8 O12 1.603(3) . ?
Si8 O5 1.609(3) . ?
Si8 C81A 1.766(13) . ?
Si8 C81 1.882(5) . ?
C81 C86 1.3900 . ?
C81 C82 1.3900 . ?
C86 C85 1.3900 . ?
C86 H86 0.9300 . ?
C85 C84 1.3900 . ?
C85 H85 0.9300 . ?
C84 C83 1.3900 . ?
C84 H84 0.9300 . ?
C83 C82 1.3900 . ?
C83 H83 0.9300 . ?
C82 H82 0.9300 . ?
Si9 O12 1.621(3) . ?
Si9 C9 1.859(5) . ?
Si9 C9G 1.865(3) . ?
Si9 C9A 1.872(3) . ?
C9 C10 1.211(6) . ?
C9 H9 0.9300 . ?
C9A C9B 1.3900 . ?
C9A C9F 1.3900 . ?
C9B C9C 1.3900 . ?
C9B H9B 0.9300 . ?
C9C C9D 1.3900 . ?
C9C H9C 0.9300 . ?
C9D C9E 1.3900 . ?
C9D H9D 0.9300 . ?
C9E C9F 1.3900 . ?
C9E H9E 0.9300 . ?
C9F H9F 0.9300 . ?
C9G C9H 1.3900 . ?
C9G C9L 1.3900 . ?
C9H C9I 1.3900 . ?
C9H H9H 0.9300 . ?
C9I C9J 1.3900 . ?
C9I H9I 0.9300 . ?
C9J C9K 1.3900 . ?
C9J H9J 0.9300 . ?
C9K C9L 1.3900 . ?
C9K H9K 0.9300 . ?
C9L H9L 0.9300 . ?
Si10 O11 1.632(3) . ?
Si10 C10M 1.780(17) . ?
Si10 C10 1.857(5) . ?
Si10 C10G 1.871(3) . ?
Si10 C10A 1.896(8) . ?
C10 H10 0.9300 . ?
C10G C10H 1.3900 . ?
C10G C10L 1.3900 . ?
C10H C10I 1.3900 . ?
C10H H10H 0.9300 . ?
C10I C10J 1.3900 . ?
C10I H10I 0.9300 . ?
C10J C10K 1.3900 . ?
C10J H10J 0.9300 . ?
C10K C10L 1.3900 . ?
C10K H10K 0.9300 . ?
C10L H10L 0.9300 . ?
C11A C16A 1.3900 . ?
C11A C12A 1.3900 . ?
C16A C15A 1.3900 . ?
C16A H16A 0.9300 . ?
C15A C14A 1.3900 . ?
C15A H15A 0.9300 . ?
C14A C13A 1.3900 . ?
C14A H14A 0.9300 . ?
C13A C12A 1.3900 . ?
C13A H13A 0.9300 . ?
C12A H12A 0.9300 . ?
C41 C46 1.3900 . ?
C41 C42 1.3900 . ?
C46 C45 1.3900 . ?
C46 H46 0.9300 . ?
C45 C44 1.3900 . ?
C45 H45 0.9300 . ?
C44 C43 1.3900 . ?
C44 H44 0.9300 . ?
C43 C42 1.3900 . ?
C43 H43 0.9300 . ?
C42 H42 0.9300 . ?
C51B C56B 1.3900 . ?
C51B C52B 1.3900 . ?
C56B C55B 1.3900 . ?
C56B H56B 0.9300 . ?
C55B C54B 1.3900 . ?
C55B H55B 0.9300 . ?
C54B C53B 1.3900 . ?
C54B H54B 0.9300 . ?
C53B C52B 1.3900 . ?
C53B H53B 0.9300 . ?
C52B H52B 0.9300 . ?
C51A C56A 1.3900 . ?
C51A C52A 1.3900 . ?
C56A C55A 1.3900 . ?
C56A H56A 0.9300 . ?
C55A C54A 1.3900 . ?
C55A H55A 0.9300 . ?
C54A C53A 1.3900 . ?
C54A H54A 0.9300 . ?
C53A C52A 1.3900 . ?
C53A H53A 0.9300 . ?
C52A H52A 0.9300 . ?
C31 C36 1.3900 . ?
C31 C32 1.3900 . ?
C36 C35 1.3900 . ?
C36 H36 0.9300 . ?
C35 C34 1.3900 . ?
C35 H35 0.9300 . ?
C34 C33 1.3900 . ?
C34 H34 0.9300 . ?
C33 C32 1.3900 . ?
C33 H33 0.9300 . ?
C32 H32 0.9300 . ?
C31A C36A 1.3900 . ?
C31A C32A 1.3900 . ?
C36A C35A 1.3900 . ?
C36A H36A 0.9300 . ?
C35A C34A 1.3900 . ?
C35A H35A 0.9300 . ?
C34A C33A 1.3900 . ?
C34A H34A 0.9300 . ?
C33A C32A 1.3900 . ?
C33A H33A 0.9300 . ?
C32A H32A 0.9300 . ?
C84A C85A 1.3900 . ?
C84A C83A 1.3900 . ?
C84A H84A 0.9300 . ?
C85A C86A 1.3900 . ?
C85A H85A 0.9300 . ?
C86A C81A 1.3900 . ?
C86A H86A 0.9300 . ?
C81A C82A 1.3900 . ?
C82A C83A 1.3900 . ?
C82A H82A 0.9300 . ?
C83A H83A 0.9300 . ?
C61A C66A 1.3900 . ?
C61A C62A 1.3900 . ?
C66A C65A 1.3900 . ?
C66A H66A 0.9300 . ?
C65A C64A 1.3900 . ?
C65A H65A 0.9300 . ?
C64A C63A 1.3900 . ?
C64A H64A 0.9300 . ?
C63A C62A 1.3900 . ?
C63A H63A 0.9300 . ?
C62A H62A 0.9300 . ?
C61B C66B 1.3900 . ?
C61B C62B 1.3900 . ?
C66B C65B 1.3900 . ?
C66B H66B 0.9300 . ?
C65B C64B 1.3900 . ?
C65B H65B 0.9300 . ?
C64B C63B 1.3900 . ?
C64B H64B 0.9300 . ?
C63B C62B 1.3900 . ?
C63B H63B 0.9300 . ?
C62B H62B 0.9300 . ?
C43A C44A 1.3900 . ?
C43A C42A 1.3900 . ?
C43A H43A 0.9300 . ?
C44A C45A 1.3900 . ?
C44A H44A 0.9300 . ?
C45A C46A 1.3900 . ?
C45A H45A 0.9300 . ?
C46A C41A 1.3900 . ?
C46A H46A 0.9300 . ?
C41A C42A 1.3900 . ?
C42A H42A 0.9300 . ?
C10A C10F 1.3900 . ?
C10A C10B 1.3900 . ?
C10F C10E 1.3900 . ?
C10F H10F 0.9300 . ?
C10E C10D 1.3900 . ?
C10E H10E 0.9300 . ?
C10D C10C 1.3900 . ?
C10D H10D 0.9300 . ?
C10C C10B 1.3900 . ?
C10C H10C 0.9300 . ?
C10B H10B 0.9300 . ?
C10M C10N 1.3900 . ?
C10M C10S 1.3900 . ?
C10N C10O 1.3900 . ?
C10N H10N 0.9300 . ?
C10O C10P 1.3900 . ?
C10O H10O 0.9300 . ?
C10P C10R 1.3900 . ?
C10P H10P 0.9300 . ?
C10R C10S 1.3900 . ?
C10R H10R 0.9300 . ?
C10S H10S 0.9300 . ?
C21A C22A 1.3900 . ?
C21A C26A 1.3900 . ?
C22A C23A 1.3900 . ?
C22A H22A 0.9300 . ?
C23A C24A 1.3900 . ?
C23A H23A 0.9300 . ?
C24A C25A 1.3900 . ?
C24A H24A 0.9300 . ?
C25A C26A 1.3900 . ?
C25A H25A 0.9300 . ?
C26A H26A 0.9300 . ?

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
O1 Si1 O7 109.88(14) . . ?
O1 Si1 O5 108.80(15) . . ?
O7 Si1 O5 107.90(14) . . ?
O1 Si1 C11 109.6(2) . . ?
O7 Si1 C11 107.4(2) . . ?
O5 Si1 C11 113.2(2) . . ?
O1 Si1 C11A 107.9(7) . . ?
O7 Si1 C11A 119.8(6) . . ?
O5 Si1 C11A 101.9(6) . . ?
C16 C11 C12 120.0 . . ?
C16 C11 Si1 120.4(3) . . ?
C12 C11 Si1 119.6(3) . . ?
C11 C16 C15 120.0 . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
O10 Si2 O3 110.17(15) . . ?
O10 Si2 O1 108.45(15) . . ?
O3 Si2 O1 109.68(14) . . ?
O10 Si2 C21A 110.7(9) . . ?
O3 Si2 C21A 108.4(11) . . ?
O1 Si2 C21A 109.5(10) . . ?
O10 Si2 C21 110.0(2) . . ?
O3 Si2 C21 107.3(2) . . ?
O1 Si2 C21 111.3(2) . . ?
C22 C21 C26 120.0 . . ?
C22 C21 Si2 121.6(3) . . ?
C26 C21 Si2 118.3(3) . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
O4 Si3 O3 108.99(14) . . ?
O4 Si3 O2 109.64(14) . . ?
O3 Si3 O2 108.93(14) . . ?
O4 Si3 C31 107.2(3) . . ?
O3 Si3 C31 111.7(3) . . ?
O2 Si3 C31 110.4(3) . . ?
O4 Si3 C31A 117.0(6) . . ?
O3 Si3 C31A 106.8(5) . . ?
O2 Si3 C31A 105.2(5) . . ?
O2 Si4 O7 108.74(14) . . ?
O2 Si4 O6 108.59(15) . . ?
O7 Si4 O6 109.43(14) . . ?
O2 Si4 C41 109.8(2) . . ?
O7 Si4 C41 113.3(3) . . ?
O6 Si4 C41 106.9(2) . . ?
O2 Si4 C41A 110.6(4) . . ?
O7 Si4 C41A 101.7(4) . . ?
O6 Si4 C41A 117.4(4) . . ?
O11 Si5 O10 109.06(16) . . ?
O11 Si5 O8 108.48(16) . . ?
O10 Si5 O8 109.42(15) . . ?
O11 Si5 C51 102.4(6) . . ?
O10 Si5 C51 111.9(7) . . ?
O8 Si5 C51 115.2(7) . . ?
O11 Si5 C51B 111.0(10) . . ?
O10 Si5 C51B 108.9(9) . . ?
O8 Si5 C51B 110.0(8) . . ?
O11 Si5 C51A 114.7(6) . . ?
O10 Si5 C51A 110.1(8) . . ?
O8 Si5 C51A 105.0(7) . . ?
C56 C51 C52 120.0 . . ?
C56 C51 Si5 116.5(11) . . ?
C52 C51 Si5 123.2(12) . . ?
C55 C56 C51 120.0 . . ?
C55 C56 H56 120.0 . . ?
C51 C56 H56 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
O8 Si6 O9 107.39(16) . . ?
O8 Si6 O4 109.75(14) . . ?
O9 Si6 O4 108.54(15) . . ?
O8 Si6 C61A 115.4(2) . . ?
O9 Si6 C61A 106.3(2) . . ?
O4 Si6 C61A 109.2(2) . . ?
O8 Si6 C61B 97.5(6) . . ?
O9 Si6 C61B 121.3(5) . . ?
O4 Si6 C61B 111.4(6) . . ?
O9 Si7 O13 108.31(15) . . ?
O9 Si7 O6 109.02(15) . . ?
O13 Si7 O6 109.04(15) . . ?
O9 Si7 C71 109.03(18) . . ?
O13 Si7 C71 110.90(16) . . ?
O6 Si7 C71 110.48(18) . . ?
C76 C71 C72 118.5(6) . . ?
C76A C71 C72A 120.0 . . ?
C76 C71 Si7 121.5(5) . . ?
C72 C71 Si7 119.9(4) . . ?
C76A C71 Si7 118.8(3) . . ?
C72A C71 Si7 121.2(3) . . ?
C75A C76A C71 120.0 . . ?
C75A C76A H76A 120.0 . . ?
C71 C76A H76A 120.0 . . ?
C76A C75A C74 120.0 . . ?
C76A C75A H75A 120.0 . . ?
C74 C75A H75A 120.0 . . ?
C75 C74 C73 118.4(6) . . ?
C73A C74 C75A 120.0 . . ?
C73A C74 H74A 120.0 . . ?
C75A C74 H74A 120.0 . . ?
C75 C74 H74 120.8 . . ?
C73 C74 H74 120.8 . . ?
C72A C73A C74 120.0 . . ?
C72A C73A H73A 120.0 . . ?
C74 C73A H73A 120.0 . . ?
C73A C72A C71 120.0 . . ?
C73A C72A H72A 120.0 . . ?
C71 C72A H72A 120.0 . . ?
C71 C72 C73 118.0(9) . . ?
C71 C72 H72 121.0 . . ?
C73 C72 H72 121.0 . . ?
C74 C73 C72 120.0(8) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C75 C76 121.8(11) . . ?
C74 C75 H75 119.1 . . ?
C76 C75 H75 119.1 . . ?
C71 C76 C75 122.9(11) . . ?
C71 C76 H76 118.5 . . ?
C75 C76 H76 118.5 . . ?
O13 Si8 O12 109.30(14) . . ?
O13 Si8 O5 109.63(14) . . ?
O12 Si8 O5 106.71(14) . . ?
O13 Si8 C81A 110.5(6) . . ?
O12 Si8 C81A 109.4(5) . . ?
O5 Si8 C81A 111.2(6) . . ?
O13 Si8 C81 109.6(2) . . ?
O12 Si8 C81 111.1(2) . . ?
O5 Si8 C81 110.4(2) . . ?
C86 C81 C82 120.0 . . ?
C86 C81 Si8 122.9(4) . . ?
C82 C81 Si8 117.0(4) . . ?
C85 C86 C81 120.0 . . ?
C85 C86 H86 120.0 . . ?
C81 C86 H86 120.0 . . ?
C86 C85 C84 120.0 . . ?
C86 C85 H85 120.0 . . ?
C84 C85 H85 120.0 . . ?
C85 C84 C83 120.0 . . ?
C85 C84 H84 120.0 . . ?
C83 C84 H84 120.0 . . ?
C82 C83 C84 120.0 . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
O12 Si9 C9 109.2(2) . . ?
O12 Si9 C9G 109.60(15) . . ?
C9 Si9 C9G 110.4(2) . . ?
O12 Si9 C9A 106.10(15) . . ?
C9 Si9 C9A 111.37(19) . . ?
C9G Si9 C9A 110.03(16) . . ?
C10 C9 Si9 129.9(5) . . ?
C10 C9 H9 115.1 . . ?
Si9 C9 H9 115.1 . . ?
C9B C9A C9F 120.0 . . ?
C9B C9A Si9 119.6(2) . . ?
C9F C9A Si9 120.4(2) . . ?
C9A C9B C9C 120.0 . . ?
C9A C9B H9B 120.0 . . ?
C9C C9B H9B 120.0 . . ?
C9D C9C C9B 120.0 . . ?
C9D C9C H9C 120.0 . . ?
C9B C9C H9C 120.0 . . ?
C9C C9D C9E 120.0 . . ?
C9C C9D H9D 120.0 . . ?
C9E C9D H9D 120.0 . . ?
C9F C9E C9D 120.0 . . ?
C9F C9E H9E 120.0 . . ?
C9D C9E H9E 120.0 . . ?
C9E C9F C9A 120.0 . . ?
C9E C9F H9F 120.0 . . ?
C9A C9F H9F 120.0 . . ?
C9H C9G C9L 120.0 . . ?
C9H C9G Si9 121.4(2) . . ?
C9L C9G Si9 118.6(2) . . ?
C9G C9H C9I 120.0 . . ?
C9G C9H H9H 120.0 . . ?
C9I C9H H9H 120.0 . . ?
C9H C9I C9J 120.0 . . ?
C9H C9I H9I 120.0 . . ?
C9J C9I H9I 120.0 . . ?
C9K C9J C9I 120.0 . . ?
C9K C9J H9J 120.0 . . ?
C9I C9J H9J 120.0 . . ?
C9L C9K C9J 120.0 . . ?
C9L C9K H9K 120.0 . . ?
C9J C9K H9K 120.0 . . ?
C9K C9L C9G 120.0 . . ?
C9K C9L H9L 120.0 . . ?
C9G C9L H9L 120.0 . . ?
O11 Si10 C10M 111.1(7) . . ?
O11 Si10 C10 106.9(2) . . ?
C10M Si10 C10 109.7(7) . . ?
O11 Si10 C10G 109.49(16) . . ?
C10M Si10 C10G 108.2(6) . . ?
C10 Si10 C10G 111.4(2) . . ?
O11 Si10 C10A 104.3(3) . . ?
C10 Si10 C10A 112.8(3) . . ?
C10G Si10 C10A 111.5(3) . . ?
C9 C10 Si10 134.4(5) . . ?
C9 C10 H10 112.8 . . ?
Si10 C10 H10 112.8 . . ?
C10H C10G C10L 120.0 . . ?
C10H C10G Si10 119.2(2) . . ?
C10L C10G Si10 120.6(2) . . ?
C10G C10H C10I 120.0 . . ?
C10G C10H H10H 120.0 . . ?
C10I C10H H10H 120.0 . . ?
C10J C10I C10H 120.0 . . ?
C10J C10I H10I 120.0 . . ?
C10H C10I H10I 120.0 . . ?
C10I C10J C10K 120.0 . . ?
C10I C10J H10J 120.0 . . ?
C10K C10J H10J 120.0 . . ?
C10J C10K C10L 120.0 . . ?
C10J C10K H10K 120.0 . . ?
C10L C10K H10K 120.0 . . ?
C10K C10L C10G 120.0 . . ?
C10K C10L H10L 120.0 . . ?
C10G C10L H10L 120.0 . . ?
Si2 O1 Si1 155.33(18) . . ?
Si4 O2 Si3 144.95(17) . . ?
Si2 O3 Si3 151.52(18) . . ?
Si6 O4 Si3 146.78(17) . . ?
Si8 O5 Si1 141.91(17) . . ?
Si7 O6 Si4 143.64(18) . . ?
Si1 O7 Si4 155.88(18) . . ?
Si6 O8 Si5 155.0(2) . . ?
Si7 O9 Si6 161.3(2) . . ?
Si2 O10 Si5 151.87(19) . . ?
Si5 O11 Si10 151.1(2) . . ?
Si8 O12 Si9 146.00(18) . . ?
Si8 O13 Si7 150.68(19) . . ?
C16A C11A C12A 120.0 . . ?
C16A C11A Si1 117.4(11) . . ?
C12A C11A Si1 122.4(11) . . ?
C11A C16A C15A 120.0 . . ?
C11A C16A H16A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C12A C13A C14A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C13A C12A C11A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C46 C41 C42 120.0 . . ?
C46 C41 Si4 122.2(4) . . ?
C42 C41 Si4 117.8(4) . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C56B C51B C52B 120.0 . . ?
C56B C51B Si5 119.0(15) . . ?
C52B C51B Si5 120.8(15) . . ?
C51B C56B C55B 120.0 . . ?
C51B C56B H56B 120.0 . . ?
C55B C56B H56B 120.0 . . ?
C56B C55B C54B 120.0 . . ?
C56B C55B H55B 120.0 . . ?
C54B C55B H55B 120.0 . . ?
C53B C54B C55B 120.0 . . ?
C53B C54B H54B 120.0 . . ?
C55B C54B H54B 120.0 . . ?
C52B C53B C54B 120.0 . . ?
C52B C53B H53B 120.0 . . ?
C54B C53B H53B 120.0 . . ?
C53B C52B C51B 120.0 . . ?
C53B C52B H52B 120.0 . . ?
C51B C52B H52B 120.0 . . ?
C56A C51A C52A 120.0 . . ?
C56A C51A Si5 123.8(11) . . ?
C52A C51A Si5 114.9(11) . . ?
C51A C56A C55A 120.0 . . ?
C51A C56A H56A 120.0 . . ?
C55A C56A H56A 120.0 . . ?
C54A C55A C56A 120.0 . . ?
C54A C55A H55A 120.0 . . ?
C56A C55A H55A 120.0 . . ?
C55A C54A C53A 120.0 . . ?
C55A C54A H54A 120.0 . . ?
C53A C54A H54A 120.0 . . ?
C54A C53A C52A 120.0 . . ?
C54A C53A H53A 120.0 . . ?
C52A C53A H53A 120.0 . . ?
C53A C52A C51A 120.0 . . ?
C53A C52A H52A 120.0 . . ?
C51A C52A H52A 120.0 . . ?
C36 C31 C32 120.0 . . ?
C36 C31 Si3 118.7(4) . . ?
C32 C31 Si3 121.2(4) . . ?
C31 C36 C35 120.0 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C36A C31A C32A 120.0 . . ?
C36A C31A Si3 120.3(9) . . ?
C32A C31A Si3 119.6(9) . . ?
C31A C36A C35A 120.0 . . ?
C31A C36A H36A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C33A C34A C35A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C32A C33A C34A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C33A C32A C31A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C85A C84A C83A 120.0 . . ?
C85A C84A H84A 120.0 . . ?
C83A C84A H84A 120.0 . . ?
C86A C85A C84A 120.0 . . ?
C86A C85A H85A 120.0 . . ?
C84A C85A H85A 120.0 . . ?
C85A C86A C81A 120.0 . . ?
C85A C86A H86A 120.0 . . ?
C81A C86A H86A 120.0 . . ?
C82A C81A C86A 120.0 . . ?
C82A C81A Si8 117.1(10) . . ?
C86A C81A Si8 122.7(10) . . ?
C83A C82A C81A 120.0 . . ?
C83A C82A H82A 120.0 . . ?
C81A C82A H82A 120.0 . . ?
C82A C83A C84A 120.0 . . ?
C82A C83A H83A 120.0 . . ?
C84A C83A H83A 120.0 . . ?
C66A C61A C62A 120.0 . . ?
C66A C61A Si6 120.0(3) . . ?
C62A C61A Si6 120.0(3) . . ?
C65A C66A C61A 120.0 . . ?
C65A C66A H66A 120.0 . . ?
C61A C66A H66A 120.0 . . ?
C64A C65A C66A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C65A C64A C63A 120.0 . . ?
C65A C64A H64A 120.0 . . ?
C63A C64A H64A 120.0 . . ?
C64A C63A C62A 120.0 . . ?
C64A C63A H63A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
C63A C62A C61A 120.0 . . ?
C63A C62A H62A 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C66B C61B C62B 120.0 . . ?
C66B C61B Si6 122.1(8) . . ?
C62B C61B Si6 117.8(9) . . ?
C65B C66B C61B 120.0 . . ?
C65B C66B H66B 120.0 . . ?
C61B C66B H66B 120.0 . . ?
C66B C65B C64B 120.0 . . ?
C66B C65B H65B 120.0 . . ?
C64B C65B H65B 120.0 . . ?
C65B C64B C63B 120.0 . . ?
C65B C64B H64B 120.0 . . ?
C63B C64B H64B 120.0 . . ?
C62B C63B C64B 120.0 . . ?
C62B C63B H63B 120.0 . . ?
C64B C63B H63B 120.0 . . ?
C63B C62B C61B 120.0 . . ?
C63B C62B H62B 120.0 . . ?
C61B C62B H62B 120.0 . . ?
C44A C43A C42A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C45A C44A C43A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C46A C45A C44A 120.0 . . ?
C46A C45A H45A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C45A C46A C41A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C41A C46A H46A 120.0 . . ?
C42A C41A C46A 120.0 . . ?
C42A C41A Si4 116.9(7) . . ?
C46A C41A Si4 123.0(7) . . ?
C41A C42A C43A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C43A C42A H42A 120.0 . . ?
C10F C10A C10B 120.0 . . ?
C10F C10A Si10 120.8(5) . . ?
C10B C10A Si10 119.2(5) . . ?
C10A C10F C10E 120.0 . . ?
C10A C10F H10F 120.0 . . ?
C10E C10F H10F 120.0 . . ?
C10D C10E C10F 120.0 . . ?
C10D C10E H10E 120.0 . . ?
C10F C10E H10E 120.0 . . ?
C10E C10D C10C 120.0 . . ?
C10E C10D H10D 120.0 . . ?
C10C C10D H10D 120.0 . . ?
C10B C10C C10D 120.0 . . ?
C10B C10C H10C 120.0 . . ?
C10D C10C H10C 120.0 . . ?
C10C C10B C10A 120.0 . . ?
C10C C10B H10B 120.0 . . ?
C10A C10B H10B 120.0 . . ?
C10N C10M C10S 120.0 . . ?
C10N C10M Si10 123.2(13) . . ?
C10S C10M Si10 116.7(13) . . ?
C10O C10N C10M 120.0 . . ?
C10O C10N H10N 120.0 . . ?
C10M C10N H10N 120.0 . . ?
C10N C10O C10P 120.0 . . ?
C10N C10O H10O 120.0 . . ?
C10P C10O H10O 120.0 . . ?
C10R C10P C10O 120.0 . . ?
C10R C10P H10P 120.0 . . ?
C10O C10P H10P 120.0 . . ?
C10P C10R C10S 120.0 . . ?
C10P C10R H10R 120.0 . . ?
C10S C10R H10R 120.0 . . ?
C10R C10S C10M 120.0 . . ?
C10R C10S H10S 120.0 . . ?
C10M C10S H10S 120.0 . . ?
C22A C21A C26A 120.0 . . ?
C22A C21A Si2 112.2(18) . . ?
C26A C21A Si2 127.8(18) . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C25A C26A C21A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C21A C26A H26A 120.0 . . ?

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 C11 C16 173.6(4) . . . . ?
O7 Si1 C11 C16 54.3(5) . . . . ?
O5 Si1 C11 C16 -64.7(5) . . . . ?
O1 Si1 C11 C12 -7.6(5) . . . . ?
O7 Si1 C11 C12 -126.9(4) . . . . ?
O5 Si1 C11 C12 114.1(4) . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
Si1 C11 C16 C15 178.8(5) . . . . ?
C11 C16 C15 C14 0.0 . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C14 C13 C12 0.0 . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
Si1 C11 C12 C13 -178.9(5) . . . . ?
O10 Si2 C21 C22 -87.4(4) . . . . ?
O3 Si2 C21 C22 152.7(4) . . . . ?
O1 Si2 C21 C22 32.8(4) . . . . ?
O10 Si2 C21 C26 95.0(4) . . . . ?
O3 Si2 C21 C26 -24.8(4) . . . . ?
O1 Si2 C21 C26 -144.7(3) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
Si2 C21 C22 C23 -177.5(5) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
Si2 C21 C26 C25 177.6(4) . . . . ?
O11 Si5 C51 C56 -161.9(8) . . . . ?
O10 Si5 C51 C56 -45.3(10) . . . . ?
O8 Si5 C51 C56 80.5(10) . . . . ?
O11 Si5 C51 C52 24.4(12) . . . . ?
O10 Si5 C51 C52 141.0(10) . . . . ?
O8 Si5 C51 C52 -93.2(11) . . . . ?
C52 C51 C56 C55 0.0 . . . . ?
Si5 C51 C56 C55 -173.9(15) . . . . ?
C51 C56 C55 C54 0.0 . . . . ?
C56 C55 C54 C53 0.0 . . . . ?
C55 C54 C53 C52 0.0 . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C56 C51 C52 C53 0.0 . . . . ?
Si5 C51 C52 C53 173.5(15) . . . . ?
O9 Si7 C71 C76 43.8(7) . . . . ?
O13 Si7 C71 C76 -75.4(7) . . . . ?
O6 Si7 C71 C76 163.6(7) . . . . ?
O9 Si7 C71 C72 -139.9(4) . . . . ?
O13 Si7 C71 C72 100.9(5) . . . . ?
O6 Si7 C71 C72 -20.1(5) . . . . ?
O9 Si7 C71 C76A -39.9(5) . . . . ?
O13 Si7 C71 C76A -159.1(5) . . . . ?
O6 Si7 C71 C76A 79.9(5) . . . . ?
O9 Si7 C71 C72A 138.1(6) . . . . ?
O13 Si7 C71 C72A 19.0(6) . . . . ?
O6 Si7 C71 C72A -102.1(6) . . . . ?
C72A C71 C76A C75A 0.0 . . . . ?
Si7 C71 C76A C75A 178.1(4) . . . . ?
C71 C76A C75A C74 0.0 . . . . ?
C76A C75A C74 C73A 0.0 . . . . ?
C75A C74 C73A C72A 0.0 . . . . ?
C74 C73A C72A C71 0.0 . . . . ?
C76A C71 C72A C73A 0.0 . . . . ?
Si7 C71 C72A C73A -178.0(4) . . . . ?
C76 C71 C72 C73 -6.1(11) . . . . ?
Si7 C71 C72 C73 177.5(5) . . . . ?
C75 C74 C73 C72 -1.0(16) . . . . ?
C71 C72 C73 C74 3.1(13) . . . . ?
C73 C74 C75 C76 2(2) . . . . ?
C72 C71 C76 C75 7.3(15) . . . . ?
Si7 C71 C76 C75 -176.3(10) . . . . ?
C74 C75 C76 C71 -5(2) . . . . ?
O13 Si8 C81 C86 -27.1(5) . . . . ?
O12 Si8 C81 C86 -148.0(4) . . . . ?
O5 Si8 C81 C86 93.8(4) . . . . ?
O13 Si8 C81 C82 155.2(4) . . . . ?
O12 Si8 C81 C82 34.3(4) . . . . ?
O5 Si8 C81 C82 -83.9(4) . . . . ?
C82 C81 C86 C85 0.0 . . . . ?
Si8 C81 C86 C85 -177.6(5) . . . . ?
C81 C86 C85 C84 0.0 . . . . ?
C86 C85 C84 C83 0.0 . . . . ?
C85 C84 C83 C82 0.0 . . . . ?
C84 C83 C82 C81 0.0 . . . . ?
C86 C81 C82 C83 0.0 . . . . ?
Si8 C81 C82 C83 177.7(5) . . . . ?
O12 Si9 C9 C10 -12.1(7) . . . . ?
C9G Si9 C9 C10 108.5(6) . . . . ?
C9A Si9 C9 C10 -129.0(6) . . . . ?
O12 Si9 C9A C9B -31.3(2) . . . . ?
C9 Si9 C9A C9B 87.5(3) . . . . ?
C9G Si9 C9A C9B -149.8(2) . . . . ?
O12 Si9 C9A C9F 146.4(2) . . . . ?
C9 Si9 C9A C9F -94.8(3) . . . . ?
C9G Si9 C9A C9F 27.9(3) . . . . ?
C9F C9A C9B C9C 0.0 . . . . ?
Si9 C9A C9B C9C 177.7(3) . . . . ?
C9A C9B C9C C9D 0.0 . . . . ?
C9B C9C C9D C9E 0.0 . . . . ?
C9C C9D C9E C9F 0.0 . . . . ?
C9D C9E C9F C9A 0.0 . . . . ?
C9B C9A C9F C9E 0.0 . . . . ?
Si9 C9A C9F C9E -177.7(3) . . . . ?
O12 Si9 C9G C9H 127.2(2) . . . . ?
C9 Si9 C9G C9H 6.8(3) . . . . ?
C9A Si9 C9G C9H -116.5(2) . . . . ?
O12 Si9 C9G C9L -53.2(3) . . . . ?
C9 Si9 C9G C9L -173.5(3) . . . . ?
C9A Si9 C9G C9L 63.1(3) . . . . ?
C9L C9G C9H C9I 0.0 . . . . ?
Si9 C9G C9H C9I 179.6(3) . . . . ?
C9G C9H C9I C9J 0.0 . . . . ?
C9H C9I C9J C9K 0.0 . . . . ?
C9I C9J C9K C9L 0.0 . . . . ?
C9J C9K C9L C9G 0.0 . . . . ?
C9H C9G C9L C9K 0.0 . . . . ?
Si9 C9G C9L C9K -179.7(2) . . . . ?
Si9 C9 C10 Si10 176.7(3) . . . . ?
O11 Si10 C10 C9 -176.2(6) . . . . ?
C10M Si10 C10 C9 -55.7(10) . . . . ?
C10G Si10 C10 C9 64.2(7) . . . . ?
C10A Si10 C10 C9 -62.2(8) . . . . ?
O11 Si10 C10G C10H -67.0(2) . . . . ?
C10M Si10 C10G C10H 171.7(8) . . . . ?
C10 Si10 C10G C10H 51.0(3) . . . . ?
C10A Si10 C10G C10H 178.0(4) . . . . ?
O11 Si10 C10G C10L 107.4(2) . . . . ?
C10M Si10 C10G C10L -13.9(8) . . . . ?
C10 Si10 C10G C10L -134.6(3) . . . . ?
C10A Si10 C10G C10L -7.5(4) . . . . ?
C10L C10G C10H C10I 0.0 . . . . ?
Si10 C10G C10H C10I 174.4(3) . . . . ?
C10G C10H C10I C10J 0.0 . . . . ?
C10H C10I C10J C10K 0.0 . . . . ?
C10I C10J C10K C10L 0.0 . . . . ?
C10J C10K C10L C10G 0.0 . . . . ?
C10H C10G C10L C10K 0.0 . . . . ?
Si10 C10G C10L C10K -174.4(3) . . . . ?
O10 Si2 O1 Si1 -114.1(4) . . . . ?
O3 Si2 O1 Si1 6.2(5) . . . . ?
C21A Si2 O1 Si1 125.0(11) . . . . ?
C21 Si2 O1 Si1 124.7(5) . . . . ?
O7 Si1 O1 Si2 -4.6(5) . . . . ?
O5 Si1 O1 Si2 113.3(4) . . . . ?
C11 Si1 O1 Si2 -122.4(5) . . . . ?
C11A Si1 O1 Si2 -136.8(7) . . . . ?
O7 Si4 O2 Si3 53.4(3) . . . . ?
O6 Si4 O2 Si3 -65.6(3) . . . . ?
C41 Si4 O2 Si3 177.9(3) . . . . ?
C41A Si4 O2 Si3 164.2(5) . . . . ?
O4 Si3 O2 Si4 61.6(3) . . . . ?
O3 Si3 O2 Si4 -57.6(3) . . . . ?
C31 Si3 O2 Si4 179.4(4) . . . . ?
C31A Si3 O2 Si4 -171.8(6) . . . . ?
O10 Si2 O3 Si3 62.3(4) . . . . ?
O1 Si2 O3 Si3 -57.0(4) . . . . ?
C21A Si2 O3 Si3 -176.5(10) . . . . ?
C21 Si2 O3 Si3 -178.0(4) . . . . ?
O4 Si3 O3 Si2 -47.6(4) . . . . ?
O2 Si3 O3 Si2 72.0(4) . . . . ?
C31 Si3 O3 Si2 -165.8(4) . . . . ?
C31A Si3 O3 Si2 -174.9(6) . . . . ?
O8 Si6 O4 Si3 -63.3(4) . . . . ?
O9 Si6 O4 Si3 53.8(4) . . . . ?
C61A Si6 O4 Si3 169.4(3) . . . . ?
C61B Si6 O4 Si3 -170.1(6) . . . . ?
O3 Si3 O4 Si6 51.1(4) . . . . ?
O2 Si3 O4 Si6 -68.0(3) . . . . ?
C31 Si3 O4 Si6 172.1(4) . . . . ?
C31A Si3 O4 Si6 172.3(5) . . . . ?
O13 Si8 O5 Si1 60.4(3) . . . . ?
O12 Si8 O5 Si1 178.7(3) . . . . ?
C81A Si8 O5 Si1 -62.1(6) . . . . ?
C81 Si8 O5 Si1 -60.5(4) . . . . ?
O1 Si1 O5 Si8 -127.1(3) . . . . ?
O7 Si1 O5 Si8 -7.9(3) . . . . ?
C11 Si1 O5 Si8 110.8(3) . . . . ?
C11A Si1 O5 Si8 119.1(7) . . . . ?
O9 Si7 O6 Si4 -56.5(4) . . . . ?
O13 Si7 O6 Si4 61.5(4) . . . . ?
C71 Si7 O6 Si4 -176.3(3) . . . . ?
O2 Si4 O6 Si7 74.8(3) . . . . ?
O7 Si4 O6 Si7 -43.8(4) . . . . ?
C41 Si4 O6 Si7 -166.9(4) . . . . ?
C41A Si4 O6 Si7 -158.9(5) . . . . ?
O1 Si1 O7 Si4 50.8(5) . . . . ?
O5 Si1 O7 Si4 -67.7(4) . . . . ?
C11 Si1 O7 Si4 170.0(4) . . . . ?
C11A Si1 O7 Si4 176.6(8) . . . . ?
O2 Si4 O7 Si1 -63.0(4) . . . . ?
O6 Si4 O7 Si1 55.5(5) . . . . ?
C41 Si4 O7 Si1 174.6(4) . . . . ?
C41A Si4 O7 Si1 -180(100) . . . . ?
O9 Si6 O8 Si5 -116.1(5) . . . . ?
O4 Si6 O8 Si5 1.7(5) . . . . ?
C61A Si6 O8 Si5 125.5(5) . . . . ?
C61B Si6 O8 Si5 117.7(8) . . . . ?
O11 Si5 O8 Si6 159.6(5) . . . . ?
O10 Si5 O8 Si6 40.7(5) . . . . ?
C51 Si5 O8 Si6 -86.3(9) . . . . ?
C51B Si5 O8 Si6 -78.8(11) . . . . ?
C51A Si5 O8 Si6 -77.3(9) . . . . ?
O13 Si7 O9 Si6 -118.2(6) . . . . ?
O6 Si7 O9 Si6 0.3(7) . . . . ?
C71 Si7 O9 Si6 121.0(6) . . . . ?
O8 Si6 O9 Si7 118.4(6) . . . . ?
O4 Si6 O9 Si7 -0.2(7) . . . . ?
C61A Si6 O9 Si7 -117.6(6) . . . . ?
C61B Si6 O9 Si7 -131.1(9) . . . . ?
O3 Si2 O10 Si5 -21.6(5) . . . . ?
O1 Si2 O10 Si5 98.5(4) . . . . ?
C21A Si2 O10 Si5 -141.4(12) . . . . ?
C21 Si2 O10 Si5 -139.6(4) . . . . ?
O11 Si5 O10 Si2 -140.4(4) . . . . ?
O8 Si5 O10 Si2 -21.9(5) . . . . ?
C51 Si5 O10 Si2 107.0(8) . . . . ?
C51B Si5 O10 Si2 98.3(10) . . . . ?
C51A Si5 O10 Si2 92.9(8) . . . . ?
O10 Si5 O11 Si10 126.1(4) . . . . ?
O8 Si5 O11 Si10 7.0(4) . . . . ?
C51 Si5 O11 Si10 -115.3(8) . . . . ?
C51B Si5 O11 Si10 -114.0(9) . . . . ?
C51A Si5 O11 Si10 -110.0(9) . . . . ?
C10M Si10 O11 Si5 174.1(7) . . . . ?
C10 Si10 O11 Si5 -66.3(4) . . . . ?
C10G Si10 O11 Si5 54.6(4) . . . . ?
C10A Si10 O11 Si5 174.1(4) . . . . ?
O13 Si8 O12 Si9 -11.4(4) . . . . ?
O5 Si8 O12 Si9 -129.9(3) . . . . ?
C81A Si8 O12 Si9 109.8(7) . . . . ?
C81 Si8 O12 Si9 109.7(4) . . . . ?
C9 Si9 O12 Si8 80.3(4) . . . . ?
C9G Si9 O12 Si8 -40.7(4) . . . . ?
C9A Si9 O12 Si8 -159.5(3) . . . . ?
O12 Si8 O13 Si7 -173.8(3) . . . . ?
O5 Si8 O13 Si7 -57.2(4) . . . . ?
C81A Si8 O13 Si7 65.7(7) . . . . ?
C81 Si8 O13 Si7 64.2(4) . . . . ?
O9 Si7 O13 Si8 113.8(4) . . . . ?
O6 Si7 O13 Si8 -4.7(4) . . . . ?
C71 Si7 O13 Si8 -126.6(4) . . . . ?
O1 Si1 C11A C16A 139.5(9) . . . . ?
O7 Si1 C11A C16A 12.8(12) . . . . ?
O5 Si1 C11A C16A -106.1(9) . . . . ?
O1 Si1 C11A C12A -34.9(12) . . . . ?
O7 Si1 C11A C12A -161.6(9) . . . . ?
O5 Si1 C11A C12A 79.6(11) . . . . ?
C12A C11A C16A C15A 0.0 . . . . ?
Si1 C11A C16A C15A -174.5(14) . . . . ?
C11A C16A C15A C14A 0.0 . . . . ?
C16A C15A C14A C13A 0.0 . . . . ?
C15A C14A C13A C12A 0.0 . . . . ?
C14A C13A C12A C11A 0.0 . . . . ?
C16A C11A C12A C13A 0.0 . . . . ?
Si1 C11A C12A C13A 174.2(15) . . . . ?
O2 Si4 C41 C46 33.1(5) . . . . ?
O7 Si4 C41 C46 154.9(4) . . . . ?
O6 Si4 C41 C46 -84.5(5) . . . . ?
O2 Si4 C41 C42 -146.5(4) . . . . ?
O7 Si4 C41 C42 -24.7(5) . . . . ?
O6 Si4 C41 C42 95.9(5) . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
Si4 C41 C46 C45 -179.6(5) . . . . ?
C41 C46 C45 C44 0.0 . . . . ?
C46 C45 C44 C43 0.0 . . . . ?
C45 C44 C43 C42 0.0 . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
Si4 C41 C42 C43 179.6(5) . . . . ?
O11 Si5 C51B C56B -120.7(13) . . . . ?
O10 Si5 C51B C56B -0.6(16) . . . . ?
O8 Si5 C51B C56B 119.3(14) . . . . ?
O11 Si5 C51B C52B 53.5(14) . . . . ?
O10 Si5 C51B C52B 173.6(12) . . . . ?
O8 Si5 C51B C52B -66.6(15) . . . . ?
C52B C51B C56B C55B 0.0 . . . . ?
Si5 C51B C56B C55B 174.2(19) . . . . ?
C51B C56B C55B C54B 0.0 . . . . ?
C56B C55B C54B C53B 0.0 . . . . ?
C55B C54B C53B C52B 0.0 . . . . ?
C54B C53B C52B C51B 0.0 . . . . ?
C56B C51B C52B C53B 0.0 . . . . ?
Si5 C51B C52B C53B -174.1(18) . . . . ?
O11 Si5 C51A C56A -167.6(10) . . . . ?
O10 Si5 C51A C56A -44.2(14) . . . . ?
O8 Si5 C51A C56A 73.4(13) . . . . ?
O11 Si5 C51A C52A 25.6(10) . . . . ?
O10 Si5 C51A C52A 149.0(8) . . . . ?
O8 Si5 C51A C52A -93.3(9) . . . . ?
C52A C51A C56A C55A 0.0 . . . . ?
Si5 C51A C56A C55A -166.1(15) . . . . ?
C51A C56A C55A C54A 0.0 . . . . ?
C56A C55A C54A C53A 0.0 . . . . ?
C55A C54A C53A C52A 0.0 . . . . ?
C54A C53A C52A C51A 0.0 . . . . ?
C56A C51A C52A C53A 0.0 . . . . ?
Si5 C51A C52A C53A 167.3(14) . . . . ?
O4 Si3 C31 C36 151.2(4) . . . . ?
O3 Si3 C31 C36 -89.6(4) . . . . ?
O2 Si3 C31 C36 31.8(5) . . . . ?
O4 Si3 C31 C32 -25.7(4) . . . . ?
O3 Si3 C31 C32 93.6(4) . . . . ?
O2 Si3 C31 C32 -145.1(4) . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
Si3 C31 C36 C35 -176.9(5) . . . . ?
C31 C36 C35 C34 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C35 C34 C33 C32 0.0 . . . . ?
C34 C33 C32 C31 0.0 . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
Si3 C31 C32 C33 176.8(6) . . . . ?
O4 Si3 C31A C36A -174.0(6) . . . . ?
O3 Si3 C31A C36A -51.6(8) . . . . ?
O2 Si3 C31A C36A 64.1(8) . . . . ?
O4 Si3 C31A C32A 10.1(8) . . . . ?
O3 Si3 C31A C32A 132.5(6) . . . . ?
O2 Si3 C31A C32A -111.8(7) . . . . ?
C32A C31A C36A C35A 0.0 . . . . ?
Si3 C31A C36A C35A -175.9(10) . . . . ?
C31A C36A C35A C34A 0.0 . . . . ?
C36A C35A C34A C33A 0.0 . . . . ?
C35A C34A C33A C32A 0.0 . . . . ?
C34A C33A C32A C31A 0.0 . . . . ?
C36A C31A C32A C33A 0.0 . . . . ?
Si3 C31A C32A C33A 175.9(10) . . . . ?
C83A C84A C85A C86A 0.0 . . . . ?
C84A C85A C86A C81A 0.0 . . . . ?
C85A C86A C81A C82A 0.0 . . . . ?
C85A C86A C81A Si8 174.6(13) . . . . ?
O13 Si8 C81A C82A 16.8(9) . . . . ?
O12 Si8 C81A C82A -103.6(8) . . . . ?
O5 Si8 C81A C82A 138.7(7) . . . . ?
O13 Si8 C81A C86A -158.0(8) . . . . ?
O12 Si8 C81A C86A 81.6(10) . . . . ?
O5 Si8 C81A C86A -36.0(11) . . . . ?
C86A C81A C82A C83A 0.0 . . . . ?
Si8 C81A C82A C83A -174.9(12) . . . . ?
C81A C82A C83A C84A 0.0 . . . . ?
C85A C84A C83A C82A 0.0 . . . . ?
O8 Si6 C61A C66A -7.9(5) . . . . ?
O9 Si6 C61A C66A -126.9(4) . . . . ?
O4 Si6 C61A C66A 116.2(4) . . . . ?
O8 Si6 C61A C62A 173.5(3) . . . . ?
O9 Si6 C61A C62A 54.6(4) . . . . ?
O4 Si6 C61A C62A -62.3(4) . . . . ?
C62A C61A C66A C65A 0.0 . . . . ?
Si6 C61A C66A C65A -178.5(5) . . . . ?
C61A C66A C65A C64A 0.0 . . . . ?
C66A C65A C64A C63A 0.0 . . . . ?
C65A C64A C63A C62A 0.0 . . . . ?
C64A C63A C62A C61A 0.0 . . . . ?
C66A C61A C62A C63A 0.0 . . . . ?
Si6 C61A C62A C63A 178.5(5) . . . . ?
O8 Si6 C61B C66B -40.5(11) . . . . ?
O9 Si6 C61B C66B -156.1(10) . . . . ?
O4 Si6 C61B C66B 74.2(12) . . . . ?
O8 Si6 C61B C62B 142.9(12) . . . . ?
O9 Si6 C61B C62B 27.2(16) . . . . ?
O4 Si6 C61B C62B -102.4(13) . . . . ?
C62B C61B C66B C65B 0.0 . . . . ?
Si6 C61B C66B C65B -176.6(17) . . . . ?
C61B C66B C65B C64B 0.0 . . . . ?
C66B C65B C64B C63B 0.0 . . . . ?
C65B C64B C63B C62B 0.0 . . . . ?
C64B C63B C62B C61B 0.0 . . . . ?
C66B C61B C62B C63B 0.0 . . . . ?
Si6 C61B C62B C63B 176.7(16) . . . . ?
C42A C43A C44A C45A 0.0 . . . . ?
C43A C44A C45A C46A 0.0 . . . . ?
C44A C45A C46A C41A 0.0 . . . . ?
C45A C46A C41A C42A 0.0 . . . . ?
C45A C46A C41A Si4 176.0(9) . . . . ?
O2 Si4 C41A C42A 107.7(7) . . . . ?
O7 Si4 C41A C42A -137.0(6) . . . . ?
O6 Si4 C41A C42A -17.6(8) . . . . ?
O2 Si4 C41A C46A -68.4(8) . . . . ?
O7 Si4 C41A C46A 47.0(8) . . . . ?
O6 Si4 C41A C46A 166.3(6) . . . . ?
C46A C41A C42A C43A 0.0 . . . . ?
Si4 C41A C42A C43A -176.2(9) . . . . ?
C44A C43A C42A C41A 0.0 . . . . ?
O11 Si10 C10A C10F 176.8(4) . . . . ?
C10 Si10 C10A C10F 61.2(5) . . . . ?
C10G Si10 C10A C10F -65.1(5) . . . . ?
O11 Si10 C10A C10B -1.1(5) . . . . ?
C10 Si10 C10A C10B -116.7(5) . . . . ?
C10G Si10 C10A C10B 117.0(4) . . . . ?
C10B C10A C10F C10E 0.0 . . . . ?
Si10 C10A C10F C10E -177.9(6) . . . . ?
C10A C10F C10E C10D 0.0 . . . . ?
C10F C10E C10D C10C 0.0 . . . . ?
C10E C10D C10C C10B 0.0 . . . . ?
C10D C10C C10B C10A 0.0 . . . . ?
C10F C10A C10B C10C 0.0 . . . . ?
Si10 C10A C10B C10C 177.9(6) . . . . ?
O11 Si10 C10M C10N 150.7(10) . . . . ?
C10 Si10 C10M C10N 32.7(11) . . . . ?
C10G Si10 C10M C10N -89.0(10) . . . . ?
O11 Si10 C10M C10S -33.1(11) . . . . ?
C10 Si10 C10M C10S -151.1(9) . . . . ?
C10G Si10 C10M C10S 87.1(11) . . . . ?
C10S C10M C10N C10O 0.0 . . . . ?
Si10 C10M C10N C10O 176.0(13) . . . . ?
C10M C10N C10O C10P 0.0 . . . . ?
C10N C10O C10P C10R 0.0 . . . . ?
C10O C10P C10R C10S 0.0 . . . . ?
C10P C10R C10S C10M 0.0 . . . . ?
C10N C10M C10S C10R 0.0 . . . . ?
Si10 C10M C10S C10R -176.3(12) . . . . ?
O10 Si2 C21A C22A -50.5(15) . . . . ?
O3 Si2 C21A C22A -171.4(11) . . . . ?
O1 Si2 C21A C22A 69.0(13) . . . . ?
O10 Si2 C21A C26A 126.2(16) . . . . ?
O3 Si2 C21A C26A 5.3(19) . . . . ?
O1 Si2 C21A C26A -114.3(17) . . . . ?
C26A C21A C22A C23A 0.0 . . . . ?
Si2 C21A C22A C23A 177(2) . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C23A C24A C25A 0.0 . . . . ?
C23A C24A C25A C26A 0.0 . . . . ?
C24A C25A C26A C21A 0.0 . . . . ?
C22A C21A C26A C25A 0.0 . . . . ?
Si2 C21A C26A C25A -176(2) . . . . ?

_refine_diff_density_max         0.301
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.052

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5b
_database_code_depnum_ccdc_archive 'CCDC 2041829'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H49 Cl O13 Si9'
_chemical_formula_sum            'C52 H49 Cl O13 Si9'
_chemical_formula_weight         1170.17

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.0582(5)
_cell_length_b                   16.8552(7)
_cell_length_c                   23.5988(9)
_cell_angle_alpha                90
_cell_angle_beta                 98.552(3)
_cell_angle_gamma                90
_cell_volume                     5529.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    5727
_cell_measurement_theta_min      3.0410
_cell_measurement_theta_max      26.3140

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_F_000             2432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.327
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.79455
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.81a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.1544
_diffrn_reflns_number            19474
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.826
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9712
_reflns_number_gt                6938
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0983P)²+8.3332P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9712
_refine_ls_number_parameters     677
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0673
_refine_ls_wR_factor_ref         0.1925
_refine_ls_wR_factor_gt          0.1767
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.68746(8) 0.81424(7) 0.44020(5) 0.0370(3) Uani 1 1 d . . . . .
C11 C 0.6307(3) 0.8640(3) 0.3748(2) 0.0386(10) Uani 1 1 d . . . . .
C12 C 0.6349(5) 0.8331(4) 0.3217(2) 0.0711(17) Uani 1 1 d . . . . .
H12 H 0.6704 0.7857 0.3186 0.085 Uiso 1 1 calc R U . . .
C13 C 0.5883(5) 0.8694(4) 0.2715(3) 0.086(2) Uani 1 1 d . . . . .
H13 H 0.5927 0.8469 0.2351 0.104 Uiso 1 1 calc R U . . .
C14 C 0.5373(4) 0.9364(4) 0.2753(3) 0.0633(15) Uani 1 1 d . . . . .
H14 H 0.5047 0.9605 0.2415 0.076 Uiso 1 1 calc R U . . .
C15 C 0.5321(4) 0.9693(4) 0.3267(3) 0.0680(16) Uani 1 1 d . . . . .
H15 H 0.4972 1.0171 0.3290 0.082 Uiso 1 1 calc R U . . .
C16 C 0.5782(4) 0.9331(3) 0.3770(3) 0.0631(15) Uani 1 1 d . . . . .
H16 H 0.5733 0.9565 0.4130 0.076 Uiso 1 1 calc R U . . .
Si2 Si 0.87934(8) 0.71948(7) 0.45101(5) 0.0346(3) Uani 1 1 d . . . . .
C21 C 0.9528(3) 0.7042(3) 0.39360(18) 0.0389(10) Uani 1 1 d . . . . .
C22 C 0.9473(3) 0.7550(3) 0.3468(2) 0.0495(12) Uani 1 1 d . . . . .
H22 H 0.9049 0.7991 0.3442 0.059 Uiso 1 1 calc R U . . .
C23 C 1.0032(4) 0.7419(4) 0.3035(2) 0.0578(14) Uani 1 1 d . . . . .
H23 H 0.9993 0.7775 0.2720 0.069 Uiso 1 1 calc R U . . .
C24 C 1.0633(4) 0.6780(4) 0.3063(2) 0.0576(14) Uani 1 1 d . . . . .
H24 H 1.1011 0.6694 0.2767 0.069 Uiso 1 1 calc R U . . .
C25 C 1.0699(4) 0.6256(3) 0.3517(2) 0.0541(13) Uani 1 1 d . . . . .
H25 H 1.1108 0.5806 0.3531 0.065 Uiso 1 1 calc R U . . .
C26 C 1.0152(3) 0.6399(3) 0.3956(2) 0.0439(11) Uani 1 1 d . . . . .
H26 H 1.0209 0.6049 0.4275 0.053 Uiso 1 1 calc R U . . .
Si3 Si 0.94335(8) 0.79484(7) 0.56973(5) 0.0356(3) Uani 1 1 d . . . . .
C31 C 1.0609(3) 0.8400(3) 0.5964(2) 0.0414(10) Uani 1 1 d . . . . .
C32 C 1.0975(4) 0.8997(3) 0.5653(3) 0.0620(14) Uani 1 1 d . . . . .
H32 H 1.0610 0.9168 0.5303 0.074 Uiso 1 1 calc R U . . .
C33 C 1.1849(4) 0.9347(4) 0.5836(3) 0.0756(18) Uani 1 1 d . . . . .
H33 H 1.2090 0.9744 0.5609 0.091 Uiso 1 1 calc R U . . .
C34 C 1.2368(4) 0.9121(4) 0.6344(3) 0.0711(17) Uani 1 1 d . . . . .
H34 H 1.2969 0.9365 0.6476 0.085 Uiso 1 1 calc R U . . .
C35 C 1.2017(4) 0.8535(4) 0.6666(3) 0.0681(16) Uani 1 1 d . . . . .
H35 H 1.2375 0.8376 0.7022 0.082 Uiso 1 1 calc R U . . .
C36 C 1.1144(4) 0.8182(3) 0.6469(2) 0.0559(13) Uani 1 1 d . . . . .
H36 H 1.0910 0.7777 0.6692 0.067 Uiso 1 1 calc R U . . .
Si4 Si 0.75151(9) 0.89258(7) 0.55794(5) 0.0385(3) Uani 1 1 d . . . . .
C41 C 0.7549(4) 0.9978(3) 0.5767(2) 0.0512(12) Uani 1 1 d . . . . .
C42 C 0.6789(7) 1.0350(5) 0.5946(6) 0.165(6) Uani 1 1 d . . . . .
H42 H 0.6209 1.0062 0.5950 0.198 Uiso 1 1 calc R U . . .
C43 C 0.6831(10) 1.1127(6) 0.6119(8) 0.223(9) Uani 1 1 d . . . . .
H43 H 0.6299 1.1356 0.6265 0.268 Uiso 1 1 calc R U . . .
C44 C 0.7609(8) 1.1566(4) 0.6085(4) 0.104(3) Uani 1 1 d . . . . .
H44 H 0.7615 1.2115 0.6178 0.125 Uiso 1 1 calc R U . . .
C45 C 0.8358(6) 1.1236(4) 0.5925(3) 0.089(2) Uani 1 1 d . . . . .
H45 H 0.8922 1.1540 0.5910 0.106 Uiso 1 1 calc R U . . .
C46 C 0.8340(5) 1.0426(4) 0.5772(3) 0.0772(19) Uani 1 1 d . . . . .
H46 H 0.8904 1.0190 0.5669 0.093 Uiso 1 1 calc R U . . .
Si5 Si 0.57910(8) 0.66298(7) 0.47716(5) 0.0342(3) Uani 1 1 d . . . . .
C51 C 0.4890(3) 0.6259(3) 0.41835(19) 0.0392(10) Uani 1 1 d . . . . .
C52 C 0.4351(3) 0.6771(3) 0.3806(2) 0.0511(12) Uani 1 1 d . . . . .
H52 H 0.4466 0.7326 0.3842 0.061 Uiso 1 1 calc R U . . .
C53 C 0.3644(4) 0.6494(4) 0.3372(2) 0.0634(15) Uani 1 1 d . . . . .
H53 H 0.3279 0.6861 0.3122 0.076 Uiso 1 1 calc R U . . .
C54 C 0.3474(4) 0.5700(4) 0.3306(2) 0.0588(14) Uani 1 1 d . . . . .
H54 H 0.3000 0.5512 0.3007 0.071 Uiso 1 1 calc R U . . .
C55 C 0.4001(3) 0.5169(3) 0.3678(2) 0.0523(13) Uani 1 1 d . . . . .
H55 H 0.3881 0.4616 0.3636 0.063 Uiso 1 1 calc R U . . .
C56 C 0.4701(3) 0.5441(3) 0.4112(2) 0.0415(10) Uani 1 1 d . . . . .
H56 H 0.5057 0.5072 0.4363 0.050 Uiso 1 1 calc R U . . .
Si6 Si 0.78030(8) 0.58285(7) 0.50950(5) 0.0336(3) Uani 1 1 d . . . . .
C61 C 0.8006(3) 0.4771(3) 0.49739(19) 0.0387(10) Uani 1 1 d . . . . .
C62 C 0.7535(3) 0.4196(3) 0.5254(2) 0.0485(12) Uani 1 1 d . . . . .
H62 H 0.7120 0.4359 0.5515 0.058 Uiso 1 1 calc R U . . .
C63 C 0.7657(4) 0.3397(3) 0.5162(2) 0.0533(13) Uani 1 1 d . . . . .
H63 H 0.7335 0.3018 0.5364 0.064 Uiso 1 1 calc R U . . .
C64 C 0.8248(3) 0.3146(3) 0.4777(2) 0.0520(13) Uani 1 1 d . . . . .
H64 H 0.8330 0.2595 0.4711 0.062 Uiso 1 1 calc R U . . .
C65 C 0.8712(3) 0.3696(3) 0.4492(2) 0.0495(12) Uani 1 1 d . . . . .
H65 H 0.9112 0.3526 0.4225 0.059 Uiso 1 1 calc R U . . .
C66 C 0.8605(3) 0.4504(3) 0.4589(2) 0.0423(10) Uani 1 1 d . . . . .
H66 H 0.8942 0.4878 0.4393 0.051 Uiso 1 1 calc R U . . .
Si7 Si 0.84425(9) 0.66256(7) 0.62911(5) 0.0396(3) Uani 1 1 d . . . . .
C71 C 0.8954(5) 0.6050(3) 0.6922(2) 0.0599(15) Uani 1 1 d . . . . .
C72 C 0.8407(7) 0.5881(4) 0.7347(3) 0.101(3) Uani 1 1 d . . . . .
H72 H 0.7761 0.6065 0.7305 0.121 Uiso 1 1 calc R U . . .
C73 C 0.8763(13) 0.5457(7) 0.7826(4) 0.168(7) Uani 1 1 d . . . . .
H73 H 0.8364 0.5343 0.8107 0.202 Uiso 1 1 calc R U . . .
C74 C 0.9694(15) 0.5200(6) 0.7898(5) 0.181(9) Uani 1 1 d . . . . .
H74 H 0.9938 0.4906 0.8231 0.217 Uiso 1 1 calc R U . . .
C75 C 1.0284(10) 0.5360(5) 0.7495(5) 0.144(5) Uani 1 1 d . . . . .
H75 H 1.0935 0.5189 0.7552 0.173 Uiso 1 1 calc R U . . .
C76 C 0.9901(6) 0.5783(4) 0.6997(3) 0.092(2) Uani 1 1 d . . . . .
H76 H 1.0293 0.5886 0.6710 0.110 Uiso 1 1 calc R U . . .
Si8 Si 0.67523(9) 0.78184(8) 0.64569(6) 0.0450(3) Uani 1 1 d . . . . .
C81 C 0.6864(3) 0.8335(3) 0.7157(2) 0.0410(10) Uani 1 1 d . . . . .
C82 C 0.7746(4) 0.8571(3) 0.7448(3) 0.0590(14) Uani 1 1 d . . . . .
H82 H 0.8313 0.8460 0.7288 0.071 Uiso 1 1 calc R U . . .
C83 C 0.7818(5) 0.8963(3) 0.7965(3) 0.0744(19) Uani 1 1 d . . . . .
H83 H 0.8431 0.9124 0.8156 0.089 Uiso 1 1 calc R U . . .
C84 C 0.7003(5) 0.9123(3) 0.8205(2) 0.0690(18) Uani 1 1 d . . . . .
H84 H 0.7055 0.9383 0.8566 0.083 Uiso 1 1 calc R U . . .
C85 C 0.6115(5) 0.8904(3) 0.7923(2) 0.0600(14) Uani 1 1 d . . . . .
H85 H 0.5550 0.9026 0.8081 0.072 Uiso 1 1 calc R U . . .
C86 C 0.6050(3) 0.8504(3) 0.7405(2) 0.0478(11) Uani 1 1 d . . . . .
H86 H 0.5436 0.8343 0.7216 0.057 Uiso 1 1 calc R U . . .
Si9 Si 0.48506(9) 0.71392(8) 0.58415(6) 0.0450(3) Uani 1 1 d . . . . .
C91 C 0.4254(5) 0.8055(4) 0.5542(3) 0.082(2) Uani 1 1 d . . . . .
H91A H 0.4719 0.8386 0.5380 0.123 Uiso 1 1 calc R U . . .
H91B H 0.4003 0.8348 0.5847 0.123 Uiso 1 1 calc R U . . .
H91C H 0.3722 0.7917 0.5241 0.123 Uiso 1 1 calc R U . . .
C92 C 0.4069(3) 0.6462(3) 0.6176(2) 0.0471(11) Uani 1 1 d . . . . .
H92A H 0.3564 0.6254 0.5875 0.057 Uiso 1 1 calc R U . . .
H92B H 0.4457 0.6006 0.6343 0.057 Uiso 1 1 calc R U . . .
C93 C 0.3583(5) 0.6851(4) 0.6648(3) 0.0819(19) Uani 1 1 d . . . . .
H93A H 0.4083 0.7059 0.6951 0.098 Uiso 1 1 calc R U . . .
H93B H 0.3187 0.7305 0.6484 0.098 Uiso 1 1 calc R U . . .
C94 C 0.2949(5) 0.6268(4) 0.6910(3) 0.0812(19) Uani 1 1 d . . . . .
H94A H 0.3348 0.5818 0.7077 0.097 Uiso 1 1 calc R U . . .
H94B H 0.2456 0.6056 0.6605 0.097 Uiso 1 1 calc R U . . .
Cl95 Cl 0.23668(17) 0.67105(15) 0.74538(10) 0.1100(7) Uani 1 1 d . . . . .
O1 O 0.9401(2) 0.76851(18) 0.50391(12) 0.0399(7) Uani 1 1 d . . . . .
O2 O 0.7840(2) 0.77002(18) 0.42722(13) 0.0427(7) Uani 1 1 d . . . . .
O3 O 0.7142(2) 0.87953(17) 0.49008(13) 0.0413(7) Uani 1 1 d . . . . .
O4 O 0.8588(2) 0.85811(18) 0.57361(13) 0.0433(7) Uani 1 1 d . . . . .
O5 O 0.6151(2) 0.75040(17) 0.46248(13) 0.0426(7) Uani 1 1 d . . . . .
O6 O 0.8487(2) 0.63476(17) 0.47455(13) 0.0402(7) Uani 1 1 d . . . . .
O7 O 0.9267(2) 0.71896(18) 0.60880(13) 0.0405(7) Uani 1 1 d . . . . .
O8 O 0.6811(2) 0.8438(2) 0.59358(14) 0.0497(8) Uani 1 1 d . . . . .
O9 O 0.6684(2) 0.60302(17) 0.48699(13) 0.0399(7) Uani 1 1 d . . . . .
O10 O 0.8019(2) 0.60517(18) 0.57677(12) 0.0398(7) Uani 1 1 d . . . . .
O11 O 0.7581(3) 0.7166(2) 0.64626(18) 0.0649(10) Uani 1 1 d . . . . .
O12 O 0.5722(3) 0.7390(2) 0.63449(14) 0.0590(10) Uani 1 1 d . . . . .
O13 O 0.5318(2) 0.66630(19) 0.53511(13) 0.0456(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O3 1.615(3) . ?
Si1 O2 1.618(3) . ?
Si1 O5 1.621(3) . ?
Si1 C11 1.831(4) . ?
C11 C12 1.368(7) . ?
C11 C16 1.384(7) . ?
C12 C13 1.405(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.348(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.345(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.403(8) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
Si2 O6 1.614(3) . ?
Si2 O2 1.616(3) . ?
Si2 O1 1.629(3) . ?
Si2 C21 1.840(5) . ?
C21 C22 1.390(6) . ?
C21 C26 1.392(6) . ?
C22 C23 1.397(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.364(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.380(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.399(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
Si3 O1 1.609(3) . ?
Si3 O4 1.610(3) . ?
Si3 O7 1.614(3) . ?
Si3 C31 1.844(5) . ?
C31 C36 1.361(7) . ?
C31 C32 1.388(7) . ?
C32 C33 1.373(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.361(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.381(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
Si4 O4 1.607(3) . ?
Si4 O8 1.616(3) . ?
Si4 O3 1.624(3) . ?
Si4 C41 1.827(5) . ?
C41 C46 1.342(8) . ?
C41 C42 1.359(9) . ?
C42 C43 1.371(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.332(14) . ?
C43 H43 0.9500 . ?
C44 C45 1.297(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.411(9) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
Si5 O9 1.601(3) . ?
Si5 O13 1.608(3) . ?
Si5 O5 1.613(3) . ?
Si5 C51 1.843(4) . ?
C51 C52 1.383(7) . ?
C51 C56 1.409(6) . ?
C52 C53 1.396(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.364(8) . ?
C53 H53 0.9500 . ?
C54 C55 1.389(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.388(6) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
Si6 O6 1.614(3) . ?
Si6 O10 1.616(3) . ?
Si6 O9 1.620(3) . ?
Si6 C61 1.835(5) . ?
C61 C62 1.394(7) . ?
C61 C66 1.401(6) . ?
C62 C63 1.379(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.387(7) . ?
C63 H63 0.9500 . ?
C64 C65 1.367(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.392(7) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
Si7 O10 1.612(3) . ?
Si7 O11 1.614(4) . ?
Si7 O7 1.626(3) . ?
Si7 C71 1.831(5) . ?
C71 C72 1.382(9) . ?
C71 C76 1.391(10) . ?
C72 C73 1.367(13) . ?
C72 H72 0.9500 . ?
C73 C74 1.37(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.38(2) . ?
C74 H74 0.9500 . ?
C75 C76 1.412(10) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
Si8 O11 1.601(4) . ?
Si8 O12 1.604(3) . ?
Si8 O8 1.625(4) . ?
Si8 C81 1.854(5) . ?
C81 C82 1.383(7) . ?
C81 C86 1.391(7) . ?
C82 C83 1.379(8) . ?
C82 H82 0.9500 . ?
C83 C84 1.379(9) . ?
C83 H83 0.9500 . ?
C84 C85 1.375(9) . ?
C84 H84 0.9500 . ?
C85 C86 1.386(7) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
Si9 O13 1.625(3) . ?
Si9 O12 1.631(4) . ?
Si9 C92 1.842(5) . ?
Si9 C91 1.847(6) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.537(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.519(9) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 Cl95 1.784(7) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?

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
O3 Si1 O2 109.95(16) . . ?
O3 Si1 O5 107.77(17) . . ?
O2 Si1 O5 109.89(17) . . ?
O3 Si1 C11 109.10(19) . . ?
O2 Si1 C11 108.92(19) . . ?
O5 Si1 C11 111.20(18) . . ?
C12 C11 C16 116.7(5) . . ?
C12 C11 Si1 121.7(4) . . ?
C16 C11 Si1 121.5(4) . . ?
C11 C12 C13 121.9(5) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 119.6(6) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.2(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C11 C16 C15 121.1(5) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
O6 Si2 O2 109.62(17) . . ?
O6 Si2 O1 108.75(16) . . ?
O2 Si2 O1 108.16(16) . . ?
O6 Si2 C21 109.74(19) . . ?
O2 Si2 C21 110.18(19) . . ?
O1 Si2 C21 110.35(18) . . ?
C22 C21 C26 117.8(4) . . ?
C22 C21 Si2 121.9(4) . . ?
C26 C21 Si2 120.3(3) . . ?
C21 C22 C23 120.9(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 120.0(5) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.9(5) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C26 118.9(5) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C21 C26 C25 121.4(5) . . ?
C21 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
O1 Si3 O4 108.79(17) . . ?
O1 Si3 O7 110.30(17) . . ?
O4 Si3 O7 108.77(17) . . ?
O1 Si3 C31 109.82(19) . . ?
O4 Si3 C31 109.83(19) . . ?
O7 Si3 C31 109.31(19) . . ?
C36 C31 C32 117.3(5) . . ?
C36 C31 Si3 122.5(4) . . ?
C32 C31 Si3 120.2(4) . . ?
C33 C32 C31 122.0(6) . . ?
C33 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C34 C33 C32 119.5(6) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C34 C35 119.8(5) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.6(6) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C31 C36 C35 121.7(6) . . ?
C31 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
O4 Si4 O8 108.81(18) . . ?
O4 Si4 O3 109.41(17) . . ?
O8 Si4 O3 108.13(17) . . ?
O4 Si4 C41 107.8(2) . . ?
O8 Si4 C41 111.3(2) . . ?
O3 Si4 C41 111.3(2) . . ?
C46 C41 C42 115.3(6) . . ?
C46 C41 Si4 122.6(4) . . ?
C42 C41 Si4 122.0(5) . . ?
C41 C42 C43 122.1(9) . . ?
C41 C42 H42 119.0 . . ?
C43 C42 H42 119.0 . . ?
C44 C43 C42 120.9(10) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C45 C44 C43 119.2(7) . . ?
C45 C44 H44 120.4 . . ?
C43 C44 H44 120.4 . . ?
C44 C45 C46 120.4(7) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 122.0(7) . . ?
C41 C46 H46 119.0 . . ?
C45 C46 H46 119.0 . . ?
O9 Si5 O13 108.25(18) . . ?
O9 Si5 O5 110.08(16) . . ?
O13 Si5 O5 109.50(17) . . ?
O9 Si5 C51 109.33(18) . . ?
O13 Si5 C51 109.10(19) . . ?
O5 Si5 C51 110.54(19) . . ?
C52 C51 C56 117.2(4) . . ?
C52 C51 Si5 121.5(4) . . ?
C56 C51 Si5 121.2(3) . . ?
C51 C52 C53 121.7(5) . . ?
C51 C52 H52 119.2 . . ?
C53 C52 H52 119.2 . . ?
C54 C53 C52 120.4(5) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 119.5(5) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C56 C55 C54 120.4(5) . . ?
C56 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C55 C56 C51 120.8(5) . . ?
C55 C56 H56 119.6 . . ?
C51 C56 H56 119.6 . . ?
O6 Si6 O10 109.69(16) . . ?
O6 Si6 O9 109.98(17) . . ?
O10 Si6 O9 107.73(17) . . ?
O6 Si6 C61 109.22(19) . . ?
O10 Si6 C61 111.62(19) . . ?
O9 Si6 C61 108.58(17) . . ?
C62 C61 C66 117.2(4) . . ?
C62 C61 Si6 120.4(3) . . ?
C66 C61 Si6 122.4(4) . . ?
C63 C62 C61 121.7(5) . . ?
C63 C62 H62 119.1 . . ?
C61 C62 H62 119.1 . . ?
C62 C63 C64 120.1(5) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 C63 119.4(5) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
C64 C65 C66 120.8(5) . . ?
C64 C65 H65 119.6 . . ?
C66 C65 H65 119.6 . . ?
C65 C66 C61 120.7(5) . . ?
C65 C66 H66 119.6 . . ?
C61 C66 H66 119.6 . . ?
O10 Si7 O11 109.0(2) . . ?
O10 Si7 O7 108.88(17) . . ?
O11 Si7 O7 109.81(18) . . ?
O10 Si7 C71 111.1(2) . . ?
O11 Si7 C71 108.3(3) . . ?
O7 Si7 C71 109.8(2) . . ?
C72 C71 C76 117.8(6) . . ?
C72 C71 Si7 120.4(6) . . ?
C76 C71 Si7 121.9(5) . . ?
C73 C72 C71 122.2(11) . . ?
C73 C72 H72 118.9 . . ?
C71 C72 H72 118.9 . . ?
C74 C73 C72 119.7(12) . . ?
C74 C73 H73 120.1 . . ?
C72 C73 H73 120.1 . . ?
C73 C74 C75 121.1(10) . . ?
C73 C74 H74 119.5 . . ?
C75 C74 H74 119.5 . . ?
C74 C75 C76 118.6(12) . . ?
C74 C75 H75 120.7 . . ?
C76 C75 H75 120.7 . . ?
C71 C76 C75 120.6(10) . . ?
C71 C76 H76 119.7 . . ?
C75 C76 H76 119.7 . . ?
O11 Si8 O12 109.3(2) . . ?
O11 Si8 O8 109.20(19) . . ?
O12 Si8 O8 108.1(2) . . ?
O11 Si8 C81 110.5(2) . . ?
O12 Si8 C81 108.2(2) . . ?
O8 Si8 C81 111.5(2) . . ?
C82 C81 C86 117.7(5) . . ?
C82 C81 Si8 121.9(4) . . ?
C86 C81 Si8 120.4(3) . . ?
C83 C82 C81 121.3(6) . . ?
C83 C82 H82 119.3 . . ?
C81 C82 H82 119.3 . . ?
C82 C83 C84 120.1(6) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C85 C84 C83 119.9(5) . . ?
C85 C84 H84 120.1 . . ?
C83 C84 H84 120.1 . . ?
C84 C85 C86 119.6(5) . . ?
C84 C85 H85 120.2 . . ?
C86 C85 H85 120.2 . . ?
C85 C86 C81 121.3(5) . . ?
C85 C86 H86 119.3 . . ?
C81 C86 H86 119.3 . . ?
O13 Si9 O12 107.91(18) . . ?
O13 Si9 C92 109.2(2) . . ?
O12 Si9 C92 106.3(2) . . ?
O13 Si9 C91 110.4(3) . . ?
O12 Si9 C91 108.1(3) . . ?
C92 Si9 C91 114.6(3) . . ?
Si9 C91 H91A 109.5 . . ?
Si9 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
Si9 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 Si9 113.8(4) . . ?
C93 C92 H92A 108.8 . . ?
Si9 C92 H92A 108.8 . . ?
C93 C92 H92B 108.8 . . ?
Si9 C92 H92B 108.8 . . ?
H92A C92 H92B 107.7 . . ?
C94 C93 C92 111.7(5) . . ?
C94 C93 H93A 109.3 . . ?
C92 C93 H93A 109.3 . . ?
C94 C93 H93B 109.3 . . ?
C92 C93 H93B 109.3 . . ?
H93A C93 H93B 107.9 . . ?
C93 C94 Cl95 112.5(5) . . ?
C93 C94 H94A 109.1 . . ?
Cl95 C94 H94A 109.1 . . ?
C93 C94 H94B 109.1 . . ?
Cl95 C94 H94B 109.1 . . ?
H94A C94 H94B 107.8 . . ?
Si3 O1 Si2 144.7(2) . . ?
Si2 O2 Si1 148.5(2) . . ?
Si1 O3 Si4 144.8(2) . . ?
Si4 O4 Si3 154.4(2) . . ?
Si5 O5 Si1 155.3(2) . . ?
Si2 O6 Si6 149.9(2) . . ?
Si3 O7 Si7 143.3(2) . . ?
Si4 O8 Si8 145.6(2) . . ?
Si5 O9 Si6 151.9(2) . . ?
Si7 O10 Si6 152.5(2) . . ?
Si8 O11 Si7 163.3(3) . . ?
Si8 O12 Si9 143.0(2) . . ?
Si5 O13 Si9 152.2(2) . . ?

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
O3 Si1 C11 C12 153.5(5) . . . . ?
O2 Si1 C11 C12 33.4(5) . . . . ?
O5 Si1 C11 C12 -87.8(5) . . . . ?
O3 Si1 C11 C16 -29.1(5) . . . . ?
O2 Si1 C11 C16 -149.2(4) . . . . ?
O5 Si1 C11 C16 89.6(4) . . . . ?
C16 C11 C12 C13 -0.1(9) . . . . ?
Si1 C11 C12 C13 177.4(6) . . . . ?
C11 C12 C13 C14 -0.4(11) . . . . ?
C12 C13 C14 C15 1.1(11) . . . . ?
C13 C14 C15 C16 -1.4(10) . . . . ?
C12 C11 C16 C15 -0.2(8) . . . . ?
Si1 C11 C16 C15 -177.7(5) . . . . ?
C14 C15 C16 C11 0.9(9) . . . . ?
O6 Si2 C21 C22 144.8(4) . . . . ?
O2 Si2 C21 C22 24.0(4) . . . . ?
O1 Si2 C21 C22 -95.4(4) . . . . ?
O6 Si2 C21 C26 -34.2(4) . . . . ?
O2 Si2 C21 C26 -155.0(3) . . . . ?
O1 Si2 C21 C26 85.6(4) . . . . ?
C26 C21 C22 C23 -0.4(7) . . . . ?
Si2 C21 C22 C23 -179.5(4) . . . . ?
C21 C22 C23 C24 0.9(8) . . . . ?
C22 C23 C24 C25 0.0(8) . . . . ?
C23 C24 C25 C26 -1.3(8) . . . . ?
C22 C21 C26 C25 -1.0(7) . . . . ?
Si2 C21 C26 C25 178.1(4) . . . . ?
C24 C25 C26 C21 1.9(7) . . . . ?
O1 Si3 C31 C36 -131.1(4) . . . . ?
O4 Si3 C31 C36 109.3(4) . . . . ?
O7 Si3 C31 C36 -9.9(5) . . . . ?
O1 Si3 C31 C32 50.2(5) . . . . ?
O4 Si3 C31 C32 -69.5(4) . . . . ?
O7 Si3 C31 C32 171.3(4) . . . . ?
C36 C31 C32 C33 1.4(8) . . . . ?
Si3 C31 C32 C33 -179.8(5) . . . . ?
C31 C32 C33 C34 -1.7(10) . . . . ?
C32 C33 C34 C35 0.9(10) . . . . ?
C33 C34 C35 C36 0.2(9) . . . . ?
C32 C31 C36 C35 -0.3(8) . . . . ?
Si3 C31 C36 C35 -179.1(4) . . . . ?
C34 C35 C36 C31 -0.5(9) . . . . ?
O4 Si4 C41 C46 27.5(6) . . . . ?
O8 Si4 C41 C46 146.8(5) . . . . ?
O3 Si4 C41 C46 -92.4(5) . . . . ?
O4 Si4 C41 C42 -148.5(8) . . . . ?
O8 Si4 C41 C42 -29.2(9) . . . . ?
O3 Si4 C41 C42 91.5(8) . . . . ?
C46 C41 C42 C43 -0.2(19) . . . . ?
Si4 C41 C42 C43 176.1(12) . . . . ?
C41 C42 C43 C44 4(3) . . . . ?
C42 C43 C44 C45 -5(2) . . . . ?
C43 C44 C45 C46 1.7(16) . . . . ?
C42 C41 C46 C45 -3.0(12) . . . . ?
Si4 C41 C46 C45 -179.2(6) . . . . ?
C44 C45 C46 C41 2.3(12) . . . . ?
O9 Si5 C51 C52 -144.7(4) . . . . ?
O13 Si5 C51 C52 97.1(4) . . . . ?
O5 Si5 C51 C52 -23.4(5) . . . . ?
O9 Si5 C51 C56 37.3(4) . . . . ?
O13 Si5 C51 C56 -80.9(4) . . . . ?
O5 Si5 C51 C56 158.6(4) . . . . ?
C56 C51 C52 C53 0.4(8) . . . . ?
Si5 C51 C52 C53 -177.7(4) . . . . ?
C51 C52 C53 C54 -0.9(9) . . . . ?
C52 C53 C54 C55 0.9(9) . . . . ?
C53 C54 C55 C56 -0.6(8) . . . . ?
C54 C55 C56 C51 0.1(7) . . . . ?
C52 C51 C56 C55 0.0(7) . . . . ?
Si5 C51 C56 C55 178.0(4) . . . . ?
O6 Si6 C61 C62 176.6(4) . . . . ?
O10 Si6 C61 C62 55.2(4) . . . . ?
O9 Si6 C61 C62 -63.4(4) . . . . ?
O6 Si6 C61 C66 -5.4(4) . . . . ?
O10 Si6 C61 C66 -126.9(4) . . . . ?
O9 Si6 C61 C66 114.5(4) . . . . ?
C66 C61 C62 C63 0.5(7) . . . . ?
Si6 C61 C62 C63 178.5(4) . . . . ?
C61 C62 C63 C64 -1.0(8) . . . . ?
C62 C63 C64 C65 0.4(8) . . . . ?
C63 C64 C65 C66 0.7(8) . . . . ?
C64 C65 C66 C61 -1.1(7) . . . . ?
C62 C61 C66 C65 0.6(7) . . . . ?
Si6 C61 C66 C65 -177.5(4) . . . . ?
O10 Si7 C71 C72 -94.8(5) . . . . ?
O11 Si7 C71 C72 24.8(5) . . . . ?
O7 Si7 C71 C72 144.7(4) . . . . ?
O10 Si7 C71 C76 86.5(5) . . . . ?
O11 Si7 C71 C76 -153.9(5) . . . . ?
O7 Si7 C71 C76 -34.0(5) . . . . ?
C76 C71 C72 C73 -0.8(10) . . . . ?
Si7 C71 C72 C73 -179.6(6) . . . . ?
C71 C72 C73 C74 1.1(15) . . . . ?
C72 C73 C74 C75 0.0(18) . . . . ?
C73 C74 C75 C76 -1.3(17) . . . . ?
C72 C71 C76 C75 -0.5(9) . . . . ?
Si7 C71 C76 C75 178.2(6) . . . . ?
C74 C75 C76 C71 1.6(12) . . . . ?
O11 Si8 C81 C82 42.2(5) . . . . ?
O12 Si8 C81 C82 161.9(4) . . . . ?
O8 Si8 C81 C82 -79.4(4) . . . . ?
O11 Si8 C81 C86 -138.4(4) . . . . ?
O12 Si8 C81 C86 -18.8(5) . . . . ?
O8 Si8 C81 C86 100.0(4) . . . . ?
C86 C81 C82 C83 -0.2(8) . . . . ?
Si8 C81 C82 C83 179.2(4) . . . . ?
C81 C82 C83 C84 0.5(9) . . . . ?
C82 C83 C84 C85 -1.3(9) . . . . ?
C83 C84 C85 C86 1.8(8) . . . . ?
C84 C85 C86 C81 -1.5(8) . . . . ?
C82 C81 C86 C85 0.7(8) . . . . ?
Si8 C81 C86 C85 -178.7(4) . . . . ?
O13 Si9 C92 C93 -179.8(4) . . . . ?
O12 Si9 C92 C93 64.0(5) . . . . ?
C91 Si9 C92 C93 -55.3(5) . . . . ?
Si9 C92 C93 C94 -179.9(5) . . . . ?
C92 C93 C94 Cl95 -179.3(5) . . . . ?
O4 Si3 O1 Si2 -69.6(4) . . . . ?
O7 Si3 O1 Si2 49.6(4) . . . . ?
C31 Si3 O1 Si2 170.1(3) . . . . ?
O6 Si2 O1 Si3 -46.1(4) . . . . ?
O2 Si2 O1 Si3 72.9(4) . . . . ?
C21 Si2 O1 Si3 -166.5(3) . . . . ?
O6 Si2 O2 Si1 63.6(4) . . . . ?
O1 Si2 O2 Si1 -54.8(4) . . . . ?
C21 Si2 O2 Si1 -175.5(4) . . . . ?
O3 Si1 O2 Si2 55.8(4) . . . . ?
O5 Si1 O2 Si2 -62.7(4) . . . . ?
C11 Si1 O2 Si2 175.3(4) . . . . ?
O2 Si1 O3 Si4 -69.8(4) . . . . ?
O5 Si1 O3 Si4 49.9(4) . . . . ?
C11 Si1 O3 Si4 170.8(3) . . . . ?
O4 Si4 O3 Si1 63.6(4) . . . . ?
O8 Si4 O3 Si1 -54.8(4) . . . . ?
C41 Si4 O3 Si1 -177.4(4) . . . . ?
O8 Si4 O4 Si3 78.1(5) . . . . ?
O3 Si4 O4 Si3 -39.8(6) . . . . ?
C41 Si4 O4 Si3 -161.0(5) . . . . ?
O1 Si3 O4 Si4 41.9(6) . . . . ?
O7 Si3 O4 Si4 -78.3(5) . . . . ?
C31 Si3 O4 Si4 162.1(5) . . . . ?
O9 Si5 O5 Si1 22.7(6) . . . . ?
O13 Si5 O5 Si1 141.5(5) . . . . ?
C51 Si5 O5 Si1 -98.2(5) . . . . ?
O3 Si1 O5 Si5 -126.3(5) . . . . ?
O2 Si1 O5 Si5 -6.5(6) . . . . ?
C11 Si1 O5 Si5 114.2(5) . . . . ?
O2 Si2 O6 Si6 -41.6(5) . . . . ?
O1 Si2 O6 Si6 76.5(4) . . . . ?
C21 Si2 O6 Si6 -162.7(4) . . . . ?
O10 Si6 O6 Si2 -67.6(4) . . . . ?
O9 Si6 O6 Si2 50.7(5) . . . . ?
C61 Si6 O6 Si2 169.8(4) . . . . ?
O1 Si3 O7 Si7 -82.4(4) . . . . ?
O4 Si3 O7 Si7 36.9(4) . . . . ?
C31 Si3 O7 Si7 156.8(3) . . . . ?
O10 Si7 O7 Si3 74.3(4) . . . . ?
O11 Si7 O7 Si3 -45.0(4) . . . . ?
C71 Si7 O7 Si3 -163.9(4) . . . . ?
O4 Si4 O8 Si8 13.0(5) . . . . ?
O3 Si4 O8 Si8 131.7(4) . . . . ?
C41 Si4 O8 Si8 -105.7(4) . . . . ?
O11 Si8 O8 Si4 -38.3(5) . . . . ?
O12 Si8 O8 Si4 -157.1(4) . . . . ?
C81 Si8 O8 Si4 84.1(4) . . . . ?
O13 Si5 O9 Si6 -84.4(5) . . . . ?
O5 Si5 O9 Si6 35.2(5) . . . . ?
C51 Si5 O9 Si6 156.8(4) . . . . ?
O6 Si6 O9 Si5 -62.5(5) . . . . ?
O10 Si6 O9 Si5 57.0(5) . . . . ?
C61 Si6 O9 Si5 178.0(4) . . . . ?
O11 Si7 O10 Si6 96.7(5) . . . . ?
O7 Si7 O10 Si6 -23.0(5) . . . . ?
C71 Si7 O10 Si6 -144.0(5) . . . . ?
O6 Si6 O10 Si7 18.5(5) . . . . ?
O9 Si6 O10 Si7 -101.2(5) . . . . ?
C61 Si6 O10 Si7 139.7(4) . . . . ?
O12 Si8 O11 Si7 107.4(10) . . . . ?
O8 Si8 O11 Si7 -10.6(11) . . . . ?
C81 Si8 O11 Si7 -133.6(10) . . . . ?
O10 Si7 O11 Si8 -70.5(10) . . . . ?
O7 Si7 O11 Si8 48.7(10) . . . . ?
C71 Si7 O11 Si8 168.5(10) . . . . ?
O11 Si8 O12 Si9 -93.1(5) . . . . ?
O8 Si8 O12 Si9 25.6(5) . . . . ?
C81 Si8 O12 Si9 146.5(4) . . . . ?
O13 Si9 O12 Si8 51.4(5) . . . . ?
C92 Si9 O12 Si8 168.5(4) . . . . ?
C91 Si9 O12 Si8 -68.1(5) . . . . ?
O9 Si5 O13 Si9 136.8(4) . . . . ?
O5 Si5 O13 Si9 16.8(5) . . . . ?
C51 Si5 O13 Si9 -104.3(5) . . . . ?
O12 Si9 O13 Si5 -89.4(5) . . . . ?
C92 Si9 O13 Si5 155.5(4) . . . . ?
C91 Si9 O13 Si5 28.6(6) . . . . ?

_refine_diff_density_max         0.503
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.081



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b
_database_code_depnum_ccdc_archive 'CCDC 2051014'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-12-17 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H66 O13 Si10'
_chemical_formula_weight         1468.18

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.7102(3)
_cell_length_b                   14.9905(3)
_cell_length_c                   20.0608(4)
_cell_angle_alpha                97.619(2)
_cell_angle_beta                 92.684(2)
_cell_angle_gamma                115.487(2)
_cell_volume                     3663.91(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    16396
_cell_measurement_theta_min      3.0590
_cell_measurement_theta_max      28.1850

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             1532
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.242
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.93276
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.1544
_diffrn_reflns_number            32769
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.031
_diffrn_reflns_theta_max         26.622
_diffrn_reflns_theta_full        26.622
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             15021
_reflns_number_gt                14262
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1175P)²+3.5246P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15021
_refine_ls_number_parameters     1357
_refine_ls_number_restraints     3018
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0660
_refine_ls_wR_factor_ref         0.1912
_refine_ls_wR_factor_gt          0.1888
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

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
Si1A Si 0.09717(13) 0.53680(11) 0.33327(8) 0.0502(3) Uani 0.75 1 d . U P A 1
Si1B Si 0.6798(6) 0.8010(6) 0.5047(3) 0.0482(18) Uani 0.25 1 d . U P B 2
Si2 Si 0.66505(6) 0.79608(5) 0.34801(3) 0.03940(17) Uani 1 1 d . U . . .
Si3 Si 0.58691(5) 0.93739(5) 0.28834(3) 0.03183(15) Uani 1 1 d . U . . .
Si4 Si 0.65042(5) 0.85401(4) 0.15465(3) 0.03038(15) Uani 1 1 d . U . . .
Si5 Si 0.56600(7) 0.65772(5) 0.21518(3) 0.04223(19) Uani 1 1 d D U . . .
Si6 Si 0.42595(5) 0.78158(5) 0.08005(3) 0.03370(16) Uani 1 1 d . U . . .
Si7 Si 0.35510(5) 0.86164(5) 0.21537(3) 0.03113(15) Uani 1 1 d . U . . .
Si8A Si 0.1736(2) 0.6480(2) 0.20826(11) 0.0393(4) Uani 0.375 1 d . U P A 1
Si8B Si 0.1653(6) 0.6583(6) 0.1885(4) 0.0488(14) Uani 0.25 1 d . U P A 2
Si8C Si 0.1736(2) 0.6480(2) 0.20826(11) 0.0393(4) Uani 0.375 1 d . U P A 3
Si9 Si 0.33904(6) 0.58825(5) 0.13626(4) 0.04286(19) Uani 1 1 d . U . . .
Si10 Si 0.0759(4) 0.5370(4) 0.3022(4) 0.0642(11) Uani 0.25 1 d . U P A 1
Si11 Si 0.7212(3) 0.8115(3) 0.5002(2) 0.0616(9) Uani 0.5 1 d . U P B 2
Si12 Si 0.6229(9) 0.8069(6) 0.5004(3) 0.104(3) Uani 0.25 1 d . U P B 3
O1 O 0.6533(2) 0.77075(16) 0.42342(10) 0.0539(5) Uani 1 1 d . U . . .
O2 O 0.61808(16) 0.87704(14) 0.33996(9) 0.0430(4) Uani 1 1 d . U . . .
O3 O 0.63634(14) 0.92575(13) 0.21760(8) 0.0366(4) Uani 1 1 d . U . . .
O4 O 0.55711(14) 0.82923(12) 0.09258(8) 0.0353(3) Uani 1 1 d . U . . .
O5 O 0.38347(15) 0.83128(14) 0.14126(9) 0.0410(4) Uani 1 1 d . U . . .
O6 O 0.45626(14) 0.88980(13) 0.27207(8) 0.0357(4) Uani 1 1 d . U . . .
O7 O 0.63831(15) 0.75098(13) 0.17839(9) 0.0382(4) Uani 1 1 d . U . . .
O8 O 0.25267(14) 0.76618(13) 0.23362(9) 0.0404(4) Uani 1 1 d . U . . .
O9 O 0.37392(16) 0.66205(14) 0.08046(9) 0.0465(4) Uani 1 1 d . U . . .
O10 O 0.43854(18) 0.62762(16) 0.19564(9) 0.0601(6) Uani 1 1 d . U . . .
O11 O 0.59167(17) 0.69260(13) 0.29637(9) 0.0446(4) Uani 1 1 d . U . . .
O12 O 0.1220(4) 0.5990(4) 0.2714(2) 0.0621(11) Uani 0.75 1 d . U P A 1
O13 O 0.2418(5) 0.5902(5) 0.1760(3) 0.0503(12) Uani 0.75 1 d . U P A 1
O12A O 0.0909(12) 0.5981(11) 0.2416(8) 0.072(4) Uani 0.25 1 d . U P A 2
O13A O 0.2234(14) 0.5958(14) 0.1560(8) 0.040(3) Uani 0.25 1 d . U P A 2
C21 C 0.80881(14) 0.84322(15) 0.32829(12) 0.0512(6) Uani 1 1 d G U . . .
C22 C 0.8474(2) 0.77263(14) 0.30990(14) 0.0719(10) Uani 1 1 d G U . . .
H22 H 0.801564 0.704681 0.306812 0.086 Uiso 1 1 d R U . . .
C23 C 0.9544(2) 0.8036(2) 0.29611(16) 0.0943(14) Uani 1 1 d G U . . .
H23 H 0.980249 0.756359 0.283798 0.113 Uiso 1 1 d R U . . .
C24 C 1.02293(15) 0.9051(3) 0.30072(16) 0.0959(15) Uani 1 1 d G U . . .
H24 H 1.094555 0.925861 0.291491 0.115 Uiso 1 1 d R U . . .
C25 C 0.98435(16) 0.97574(17) 0.31911(16) 0.0874(13) Uani 1 1 d G U . . .
H25 H 1.030173 1.043685 0.322197 0.105 Uiso 1 1 d R U . . .
C26 C 0.87730(18) 0.94478(14) 0.33290(13) 0.0628(8) Uani 1 1 d G U . . .
H26 H 0.851486 0.992008 0.345212 0.075 Uiso 1 1 d R U . . .
C31A C 0.6475(7) 1.0717(5) 0.3285(4) 0.0446(17) Uani 0.75 1 d G U P C 1
C32A C 0.6280(7) 1.1385(6) 0.2946(4) 0.069(3) Uani 0.75 1 d G U P C 1
H32A H 0.586829 1.115995 0.252404 0.082 Uiso 0.75 1 d R U P C 1
C33A C 0.6701(7) 1.2391(6) 0.3238(5) 0.089(3) Uani 0.75 1 d G U P C 1
H33A H 0.657042 1.283769 0.301062 0.106 Uiso 0.75 1 d R U P C 1
C34A C 0.7317(7) 1.2728(5) 0.3868(5) 0.101(4) Uani 0.75 1 d G U P C 1
H34A H 0.759829 1.340018 0.406325 0.121 Uiso 0.75 1 d R U P C 1
C35A C 0.7512(6) 1.2059(6) 0.4207(3) 0.097(4) Uani 0.75 1 d G U P C 1
H35A H 0.792404 1.228491 0.462925 0.116 Uiso 0.75 1 d R U P C 1
C36A C 0.7091(7) 1.1054(6) 0.3916(4) 0.067(3) Uani 0.75 1 d G U P C 1
H36A H 0.722192 1.060712 0.414268 0.080 Uiso 0.75 1 d R U P C 1
C31B C 0.6299(17) 1.0698(11) 0.3288(9) 0.029(3) Uani 0.25 1 d G U P C 2
C32B C 0.6171(14) 1.1395(15) 0.2945(8) 0.035(3) Uani 0.25 1 d G U P C 2
H32B H 0.583279 1.119951 0.250252 0.042 Uiso 0.25 1 d R U P C 2
C33B C 0.6549(15) 1.2384(14) 0.3264(10) 0.047(3) Uani 0.25 1 d G U P C 2
H33B H 0.646307 1.285038 0.303436 0.056 Uiso 0.25 1 d R U P C 2
C34B C 0.7054(15) 1.2676(12) 0.3926(10) 0.050(3) Uani 0.25 1 d G U P C 2
H34B H 0.730646 1.333809 0.413869 0.060 Uiso 0.25 1 d R U P C 2
C35B C 0.7181(15) 1.1979(15) 0.4268(7) 0.048(3) Uani 0.25 1 d G U P C 2
H35B H 0.751959 1.217494 0.471115 0.057 Uiso 0.25 1 d R U P C 2
C36B C 0.6804(17) 1.0990(13) 0.3950(9) 0.034(3) Uani 0.25 1 d G U P C 2
H36B H 0.688930 1.052406 0.417932 0.041 Uiso 0.25 1 d R U P C 2
C41 C 0.78463(11) 0.91760(13) 0.12452(9) 0.0392(5) Uani 1 1 d G U . . .
C42 C 0.87193(15) 0.90353(16) 0.15025(10) 0.0569(7) Uani 1 1 d G U . . .
H42 H 0.861704 0.859373 0.180657 0.068 Uiso 1 1 d R U . . .
C43 C 0.97453(12) 0.95544(19) 0.13054(12) 0.0701(10) Uani 1 1 d G U . . .
H43 H 1.032944 0.946026 0.147762 0.084 Uiso 1 1 d R U . . .
C44 C 0.98982(12) 1.02143(17) 0.08510(12) 0.0675(10) Uani 1 1 d G U . . .
H44 H 1.058462 1.056172 0.071916 0.081 Uiso 1 1 d R U . . .
C45 C 0.90251(17) 1.03551(14) 0.05937(11) 0.0630(9) Uani 1 1 d G U . . .
H45 H 0.912745 1.079661 0.028968 0.076 Uiso 1 1 d R U . . .
C46 C 0.79992(13) 0.98359(14) 0.07908(10) 0.0483(6) Uani 1 1 d G U . . .
H46 H 0.741507 0.993009 0.061862 0.058 Uiso 1 1 d R U . . .
C51A C 0.6171(3) 0.5558(2) 0.18927(18) 0.0530(12) Uani 0.67 1 d G U P D 1
C52A C 0.5449(3) 0.4571(2) 0.1917(2) 0.0649(13) Uani 0.67 1 d G U P D 1
H52A H 0.477394 0.442725 0.206719 0.078 Uiso 0.67 1 d R U P D 1
C53A C 0.5736(4) 0.38010(19) 0.1718(2) 0.0828(19) Uani 0.67 1 d G U P D 1
H53A H 0.525285 0.314120 0.173447 0.099 Uiso 0.67 1 d R U P D 1
C54A C 0.6745(4) 0.4017(3) 0.1494(2) 0.0864(17) Uani 0.67 1 d G U P D 1
H54A H 0.693699 0.350100 0.136066 0.104 Uiso 0.67 1 d R U P D 1
C55A C 0.7467(3) 0.5003(3) 0.1469(2) 0.0821(16) Uani 0.67 1 d G U P D 1
H55A H 0.814224 0.514681 0.131956 0.099 Uiso 0.67 1 d R U P D 1
C56A C 0.7180(3) 0.5773(2) 0.1669(2) 0.0657(12) Uani 0.67 1 d G U P D 1
H56A H 0.766332 0.643287 0.165229 0.079 Uiso 0.67 1 d R U P D 1
C51B C 0.5651(5) 0.5403(3) 0.1888(3) 0.0351(16) Uani 0.33 1 d DG U P D 1
C52B C 0.5746(5) 0.5095(4) 0.1220(2) 0.0458(16) Uani 0.33 1 d G U P D 1
H52B H 0.582121 0.551266 0.090228 0.055 Uiso 0.33 1 d R U P D 1
C53B C 0.5729(6) 0.4163(5) 0.1026(3) 0.062(2) Uani 0.33 1 d G U P D 1
H53B H 0.579263 0.395634 0.057915 0.075 Uiso 0.33 1 d R U P D 1
C54B C 0.5617(7) 0.3538(4) 0.1501(4) 0.073(3) Uani 0.33 1 d G U P D 1
H54B H 0.560511 0.291456 0.137148 0.087 Uiso 0.33 1 d R U P D 1
C55B C 0.5521(7) 0.3847(4) 0.2169(3) 0.072(3) Uani 0.33 1 d G U P D 1
H55B H 0.544619 0.342910 0.248695 0.086 Uiso 0.33 1 d R U P D 1
C56B C 0.5539(6) 0.4779(4) 0.2363(2) 0.0542(19) Uani 0.33 1 d G U P D 1
H56B H 0.547481 0.498540 0.281009 0.065 Uiso 0.33 1 d R U P D 1
C61 C 0.37917(16) 0.80416(16) -0.00116(8) 0.0449(6) Uani 1 1 d G U . E 1
C62 C 0.26850(14) 0.7559(2) -0.02352(11) 0.0926(16) Uani 1 1 d G U . E 1
H62 H 0.220462 0.711953 0.001493 0.111 Uiso 1 1 d R U . E 1
C63 C 0.22964(13) 0.7734(2) -0.08327(12) 0.1013(18) Uani 1 1 d G U . E 1
H63 H 0.155598 0.741077 -0.098225 0.122 Uiso 1 1 d R U . E 1
C64 C 0.3014(2) 0.8391(2) -0.12065(9) 0.0694(10) Uani 1 1 d G U . E 1
H64 H 0.275437 0.850731 -0.160625 0.083 Uiso 1 1 d R U . E 1
C65 C 0.41210(18) 0.88730(16) -0.09829(10) 0.0659(9) Uani 1 1 d G U . E 1
H65 H 0.460141 0.931259 -0.123307 0.079 Uiso 1 1 d R U . E 1
C66 C 0.45097(13) 0.86985(15) -0.03855(10) 0.0527(7) Uani 1 1 d G U . E 1
H66 H 0.525009 0.902134 -0.023589 0.063 Uiso 1 1 d R U . E 1
C71 C 0.322(2) 0.966(2) 0.2047(11) 0.035(3) Uani 0.5 1 d . U P F 1
C72 C 0.3118(12) 1.0258(12) 0.2597(7) 0.055(2) Uani 0.5 1 d . U P F 1
H72 H 0.318915 1.011652 0.302969 0.066 Uiso 0.5 1 d R U P F 1
C73 C 0.2902(10) 1.1095(10) 0.2517(7) 0.076(3) Uani 0.5 1 d . U P F 1
H73 H 0.285697 1.150974 0.288956 0.091 Uiso 0.5 1 d R U P F 1
C74 C 0.2773(10) 1.1270(10) 0.1871(7) 0.066(3) Uani 0.5 1 d . U P F 1
H74 H 0.264517 1.181522 0.180681 0.079 Uiso 0.5 1 d R U P F 1
C75 C 0.2824(12) 1.0656(12) 0.1328(6) 0.065(3) Uani 0.5 1 d . U P F 1
H75 H 0.273547 1.078421 0.089417 0.078 Uiso 0.5 1 d R U P F 1
C76 C 0.3001(14) 0.9860(14) 0.1420(7) 0.046(2) Uani 0.5 1 d . U P F 1
H76 H 0.297905 0.942212 0.103830 0.055 Uiso 0.5 1 d R U P F 1
C71A C 0.326(3) 0.9725(19) 0.2175(11) 0.036(3) Uani 0.5 1 d . U P F 2
C72A C 0.3394(15) 1.0379(12) 0.2768(7) 0.066(3) Uani 0.5 1 d . U P F 2
H72A H 0.357928 1.024141 0.318126 0.080 Uiso 0.5 1 d R U P F 2
C73A C 0.3265(14) 1.1228(10) 0.2745(6) 0.090(4) Uani 0.5 1 d . U P F 2
H73A H 0.338265 1.166932 0.314643 0.109 Uiso 0.5 1 d R U P F 2
C74A C 0.2936(14) 1.1439(11) 0.2156(7) 0.078(4) Uani 0.5 1 d . U P F 2
H74A H 0.277398 1.198151 0.215769 0.093 Uiso 0.5 1 d R U P F 2
C75A C 0.2855(15) 1.0830(12) 0.1560(7) 0.070(3) Uani 0.5 1 d . U P F 2
H75A H 0.268726 1.097815 0.114699 0.084 Uiso 0.5 1 d R U P F 2
C76A C 0.3055(19) 0.9991(15) 0.1590(7) 0.057(3) Uani 0.5 1 d . U P F 2
H76A H 0.302579 0.959494 0.118456 0.069 Uiso 0.5 1 d R U P F 2
C81A C 0.0852(4) 0.6349(4) 0.1286(2) 0.0562(16) Uani 0.5 1 d G U P A 1
C82A C 0.0556(5) 0.7116(4) 0.1229(3) 0.059(4) Uani 0.5 1 d G U P A 1
H82A H 0.078514 0.766421 0.157631 0.071 Uiso 0.5 1 d R U P A 1
C83A C -0.0083(6) 0.7064(4) 0.0653(4) 0.083(3) Uani 0.5 1 d G U P A 1
H83A H -0.028197 0.757703 0.061478 0.099 Uiso 0.5 1 d R U P A 1
C84A C -0.0426(5) 0.6245(5) 0.0133(3) 0.089(3) Uani 0.5 1 d G U P A 1
H84A H -0.085394 0.621008 -0.025207 0.107 Uiso 0.5 1 d R U P A 1
C85A C -0.0130(5) 0.5478(4) 0.0190(3) 0.082(2) Uani 0.5 1 d G U P A 1
H85A H -0.035888 0.493031 -0.015742 0.098 Uiso 0.5 1 d R U P A 1
C86A C 0.0510(4) 0.5530(4) 0.0766(3) 0.0692(18) Uani 0.5 1 d G U P A 1
H86A H 0.070819 0.501747 0.080410 0.083 Uiso 0.5 1 d R U P A 1
C81B C 0.0831(9) 0.6741(9) 0.1110(5) 0.061(3) Uani 0.25 1 d G U P A 2
C82B C 0.0331(11) 0.7373(11) 0.1214(5) 0.079(4) Uani 0.25 1 d G U P A 2
H82B H 0.038774 0.772015 0.164590 0.095 Uiso 0.25 1 d R U P A 2
C83B C -0.0254(12) 0.7488(11) 0.0674(7) 0.100(5) Uani 0.25 1 d G U P A 2
H83B H -0.058828 0.791076 0.074439 0.120 Uiso 0.25 1 d R U P A 2
C84B C -0.0339(11) 0.6970(10) 0.0029(6) 0.088(4) Uani 0.25 1 d G U P A 2
H84B H -0.072998 0.704593 -0.033195 0.106 Uiso 0.25 1 d R U P A 2
C85B C 0.0161(12) 0.6337(10) -0.0075(5) 0.091(5) Uani 0.25 1 d G U P A 2
H85B H 0.010436 0.599056 -0.050679 0.109 Uiso 0.25 1 d R U P A 2
C86B C 0.0746(11) 0.6223(9) 0.0465(6) 0.084(4) Uani 0.25 1 d G U P A 2
H86B H 0.108040 0.579997 0.039471 0.101 Uiso 0.25 1 d R U P A 2
C81C C 0.0487(4) 0.6400(4) 0.1592(3) 0.0192(13) Uani 0.25 1 d G U P A 3
C82C C 0.0557(5) 0.7132(4) 0.1212(5) 0.039(5) Uani 0.25 1 d G U P A 3
H82C H 0.120724 0.770808 0.123872 0.046 Uiso 0.25 1 d R U P A 3
C83C C -0.0346(7) 0.7002(6) 0.0791(5) 0.061(4) Uani 0.25 1 d G U P A 3
H83C H -0.029960 0.749129 0.053725 0.074 Uiso 0.25 1 d R U P A 3
C84C C -0.1318(6) 0.6140(6) 0.0751(5) 0.051(3) Uani 0.25 1 d G U P A 3
H84C H -0.192227 0.605317 0.047001 0.062 Uiso 0.25 1 d R U P A 3
C85C C -0.1388(4) 0.5408(5) 0.1131(4) 0.057(3) Uani 0.25 1 d G U P A 3
H85C H -0.203813 0.483184 0.110424 0.068 Uiso 0.25 1 d R U P A 3
C86C C -0.0485(5) 0.5538(4) 0.1551(4) 0.038(2) Uani 0.25 1 d G U P A 3
H86C H -0.053133 0.504860 0.180570 0.046 Uiso 0.25 1 d R U P A 3
C91A C 0.3053(4) 0.4662(2) 0.0901(2) 0.0335(14) Uani 0.5 1 d G U P A 1
C92A C 0.2686(5) 0.3880(3) 0.12689(17) 0.0581(18) Uani 0.5 1 d G U P A 1
H92A H 0.255430 0.399426 0.171535 0.070 Uiso 0.5 1 d R U P A 1
C93A C 0.2514(6) 0.2925(3) 0.0970(2) 0.083(3) Uani 0.5 1 d G U P A 1
H93A H 0.226871 0.240138 0.121606 0.100 Uiso 0.5 1 d R U P A 1
C94A C 0.2711(7) 0.2754(3) 0.0303(2) 0.095(4) Uani 0.5 1 d G U P A 1
H94A H 0.259610 0.211515 0.010240 0.114 Uiso 0.5 1 d R U P A 1
C95A C 0.3078(5) 0.3536(3) -0.00656(18) 0.0623(18) Uani 0.5 1 d G U P A 1
H95A H 0.320910 0.342173 -0.051201 0.075 Uiso 0.5 1 d R U P A 1
C96A C 0.3249(4) 0.4491(3) 0.0234(2) 0.0458(12) Uani 0.5 1 d G U P A 1
H96A H 0.349471 0.501459 -0.001277 0.055 Uiso 0.5 1 d R U P A 1
C91B C 0.3037(4) 0.4512(3) 0.0991(3) 0.0439(17) Uani 0.5 1 d G U P A 2
C92B C 0.3672(4) 0.4279(4) 0.0545(3) 0.0698(19) Uani 0.5 1 d G U P A 2
H92B H 0.432349 0.478130 0.045908 0.084 Uiso 0.5 1 d R U P A 2
C93B C 0.3334(5) 0.3294(4) 0.0229(3) 0.081(2) Uani 0.5 1 d G U P A 2
H93B H 0.375954 0.313769 -0.006903 0.097 Uiso 0.5 1 d R U P A 2
C94B C 0.2361(5) 0.2543(3) 0.0358(3) 0.075(2) Uani 0.5 1 d G U P A 2
H94B H 0.213487 0.188387 0.014604 0.090 Uiso 0.5 1 d R U P A 2
C95B C 0.1725(4) 0.2776(3) 0.0803(3) 0.084(2) Uani 0.5 1 d G U P A 2
H95B H 0.107416 0.227364 0.088924 0.101 Uiso 0.5 1 d R U P A 2
C96B C 0.2063(4) 0.3761(4) 0.1119(3) 0.070(2) Uani 0.5 1 d G U P A 2
H96B H 0.163811 0.391725 0.141736 0.084 Uiso 0.5 1 d R U P A 2
C10A C -0.0266(3) 0.5479(5) 0.3640(3) 0.0720(16) Uani 0.75 1 d G U P A 1
C11A C -0.0222(4) 0.5782(5) 0.4331(2) 0.108(2) Uani 0.75 1 d G U P A 1
H11A H 0.040670 0.594944 0.461684 0.130 Uiso 0.75 1 d R U P A 1
C12A C -0.1119(6) 0.5836(6) 0.4595(3) 0.132(3) Uani 0.75 1 d G U P A 1
H12A H -0.108994 0.603892 0.505676 0.159 Uiso 0.75 1 d R U P A 1
C13A C -0.2059(5) 0.5586(5) 0.4168(4) 0.132(3) Uani 0.75 1 d G U P A 1
H13A H -0.265921 0.562204 0.434390 0.159 Uiso 0.75 1 d R U P A 1
C14A C -0.2103(3) 0.5283(5) 0.3477(3) 0.112(2) Uani 0.75 1 d G U P A 1
H14A H -0.273186 0.511565 0.319106 0.135 Uiso 0.75 1 d R U P A 1
C15A C -0.1206(4) 0.5229(5) 0.3213(2) 0.0854(18) Uani 0.75 1 d G U P A 1
H15A H -0.123524 0.502617 0.275111 0.102 Uiso 0.75 1 d R U P A 1
C10B C 0.0036(13) 0.5552(17) 0.3801(8) 0.072(3) Uani 0.25 1 d G U P . .
C11B C 0.0260(14) 0.5710(16) 0.4501(9) 0.108(5) Uani 0.25 1 d G U P A .
H11F H 0.091949 0.576994 0.469441 0.129 Uiso 0.25 1 d R U P . .
C12B C -0.0502(18) 0.5778(16) 0.4912(7) 0.128(5) Uani 0.25 1 d G U P A .
H12B H -0.035244 0.588389 0.538036 0.153 Uiso 0.25 1 d R U P . .
C13B C -0.1488(16) 0.5689(16) 0.4623(10) 0.118(4) Uani 0.25 1 d G U P A .
H13B H -0.199827 0.573450 0.489767 0.142 Uiso 0.25 1 d R U P . .
C14B C -0.1712(13) 0.5531(16) 0.3923(10) 0.105(4) Uani 0.25 1 d G U P A .
H14B H -0.237220 0.547113 0.372907 0.127 Uiso 0.25 1 d R U P . .
C15B C -0.0950(14) 0.5463(16) 0.3512(7) 0.091(4) Uani 0.25 1 d G U P A .
H15B H -0.110027 0.535718 0.304311 0.110 Uiso 0.25 1 d R U P . .
C10D C 0.0731(6) 0.4065(4) 0.3023(4) 0.0281(17) Uani 0.25 1 d G U P A 1
C11D C 0.1650(5) 0.3896(5) 0.2997(4) 0.050(2) Uani 0.25 1 d G U P A 1
H11D H 0.233580 0.442115 0.314072 0.060 Uiso 0.25 1 d R U P A 1
C12D C 0.1543(7) 0.2941(6) 0.2757(5) 0.063(3) Uani 0.25 1 d G U P A 1
H12D H 0.215835 0.282783 0.274003 0.076 Uiso 0.25 1 d R U P A 1
C13D C 0.0518(8) 0.2156(5) 0.2543(4) 0.061(3) Uani 0.25 1 d G U P A 1
H13D H 0.044695 0.151682 0.238243 0.073 Uiso 0.25 1 d R U P A 1
C14D C -0.0401(6) 0.2325(5) 0.2569(5) 0.073(4) Uani 0.25 1 d G U P A 1
H14D H -0.108697 0.179905 0.242554 0.088 Uiso 0.25 1 d R U P A 1
C15D C -0.0295(5) 0.3279(6) 0.2809(4) 0.053(3) Uani 0.25 1 d G U P A 1
H15D H -0.090952 0.339234 0.282621 0.064 Uiso 0.25 1 d R U P A 1
C10E C 0.0360(5) 0.3977(2) 0.2884(3) 0.101(2) Uani 0.75 1 d G U P G 2
C11E C 0.0587(5) 0.3676(3) 0.2248(3) 0.118(3) Uani 0.75 1 d G U P G 2
H11E H 0.101505 0.415292 0.199992 0.142 Uiso 0.75 1 d R U P G 2
C12E C 0.0175(5) 0.2661(3) 0.1984(2) 0.115(3) Uani 0.75 1 d G U P G 2
H12E H 0.032706 0.245957 0.155860 0.138 Uiso 0.75 1 d R U P G 2
C13E C -0.0464(5) 0.1948(2) 0.2355(3) 0.114(3) Uani 0.75 1 d G U P G 2
H13E H -0.074010 0.126879 0.217811 0.137 Uiso 0.75 1 d R U P G 2
C14E C -0.0691(6) 0.2249(3) 0.2991(3) 0.155(4) Uani 0.75 1 d G U P G 2
H14E H -0.111926 0.177137 0.323896 0.186 Uiso 0.75 1 d R U P G 2
C15E C -0.0279(6) 0.3263(3) 0.3255(3) 0.160(4) Uani 0.75 1 d G U P G 2
H15E H -0.043126 0.346471 0.368032 0.192 Uiso 0.75 1 d R U P G 2
C1FF C 0.6310(5) 0.7044(4) 0.5547(3) 0.065(2) Uani 0.5 1 d G U P H 1
C2FF C 0.6403(7) 0.6155(5) 0.5386(3) 0.111(3) Uani 0.5 1 d G U P H 1
H2FF H 0.681551 0.608714 0.504512 0.133 Uiso 0.5 1 d R U P H 1
C3FF C 0.5880(7) 0.5369(4) 0.5735(4) 0.123(4) Uani 0.5 1 d G U P H 1
H3FF H 0.594272 0.477393 0.562695 0.148 Uiso 0.5 1 d R U P H 1
C4FF C 0.5264(6) 0.5471(4) 0.6244(4) 0.095(3) Uani 0.5 1 d G U P H 1
H4FF H 0.491405 0.494409 0.647713 0.114 Uiso 0.5 1 d R U P H 1
C5FF C 0.5171(6) 0.6359(5) 0.6405(3) 0.118(4) Uani 0.5 1 d G U P H 1
H5FF H 0.475819 0.642746 0.674548 0.142 Uiso 0.5 1 d R U P H 1
C6FF C 0.5693(6) 0.7146(4) 0.6056(3) 0.089(3) Uani 0.5 1 d G U P H 1
H6FF H 0.563097 0.774068 0.616365 0.107 Uiso 0.5 1 d R U P H 1
C1GG C 0.6537(12) 0.7298(12) 0.5517(7) 0.067(3) Uani 0.25 1 d G U P B 2
C2GG C 0.7568(10) 0.7534(10) 0.5823(8) 0.085(4) Uani 0.25 1 d G U P B 2
H2GG H 0.817383 0.806503 0.571487 0.102 Uiso 0.25 1 d R U P B 2
C3GG C 0.7694(12) 0.6975(11) 0.6292(7) 0.099(5) Uani 0.25 1 d G U P B 2
H3GG H 0.838440 0.713261 0.649659 0.118 Uiso 0.25 1 d R U P B 2
C4GG C 0.6789(16) 0.6181(10) 0.6454(6) 0.105(5) Uani 0.25 1 d G U P B 2
H4GG H 0.687386 0.580716 0.676745 0.126 Uiso 0.25 1 d R U P B 2
C5GG C 0.5758(13) 0.5945(11) 0.6148(10) 0.156(8) Uani 0.25 1 d G U P B 2
H5GG H 0.515275 0.541412 0.625660 0.187 Uiso 0.25 1 d R U P B 2
C6GG C 0.5632(10) 0.6504(14) 0.5680(10) 0.158(7) Uani 0.25 1 d G U P B 2
H6GG H 0.494217 0.634653 0.547485 0.189 Uiso 0.25 1 d R U P B 2
C1AA C 0.6967(5) 0.9247(3) 0.5367(3) 0.0517(17) Uani 0.5 1 d G U P B 2
C2AA C 0.5950(4) 0.9239(4) 0.5368(4) 0.0637(18) Uani 0.5 1 d G U P B 2
H2AA H 0.532624 0.864964 0.520580 0.076 Uiso 0.5 1 d R U P B 2
C3AA C 0.5864(4) 1.0112(4) 0.5611(3) 0.0664(18) Uani 0.5 1 d G U P B 2
H3AA H 0.518372 1.010676 0.561143 0.080 Uiso 0.5 1 d R U P B 2
C4AA C 0.6796(5) 1.0993(3) 0.5853(3) 0.0575(17) Uani 0.5 1 d G U P B 2
H4AA H 0.673930 1.157687 0.601586 0.069 Uiso 0.5 1 d R U P B 2
C5AA C 0.7814(4) 1.1001(3) 0.5853(3) 0.068(2) Uani 0.5 1 d G U P B 2
H5AA H 0.843746 1.158988 0.601469 0.082 Uiso 0.5 1 d R U P B 2
C6AA C 0.7899(4) 1.0128(4) 0.5610(3) 0.0556(15) Uani 0.5 1 d G U P B 2
H6AA H 0.858002 1.013276 0.560906 0.067 Uiso 0.5 1 d R U P B 2
C1CC C 0.6837(13) 0.9296(7) 0.5280(8) 0.058(3) Uani 0.25 1 d G U P B 2
C2CC C 0.6037(10) 0.9584(10) 0.5467(9) 0.068(3) Uani 0.25 1 d G U P B 2
H2CC H 0.531863 0.910446 0.544046 0.081 Uiso 0.25 1 d R U P B 2
C3CC C 0.6310(12) 1.0589(11) 0.5694(7) 0.073(4) Uani 0.25 1 d G U P B 2
H3CC H 0.577529 1.078126 0.581948 0.087 Uiso 0.25 1 d R U P B 2
C4CC C 0.7384(14) 1.1306(7) 0.5734(8) 0.079(4) Uani 0.25 1 d G U P B 2
H4CC H 0.756691 1.197774 0.588623 0.095 Uiso 0.25 1 d R U P B 2
C5CC C 0.8184(10) 1.1018(9) 0.5547(8) 0.084(4) Uani 0.25 1 d G U P B 2
H5CC H 0.890185 1.149745 0.557398 0.101 Uiso 0.25 1 d R U P B 2
C6CC C 0.7910(11) 1.0013(11) 0.5320(8) 0.070(3) Uani 0.25 1 d G U P B 2
H6CC H 0.844520 0.982067 0.519497 0.084 Uiso 0.25 1 d R U P B 2
C1DD C 0.7817(10) 0.7769(11) 0.5330(7) 0.082(4) Uani 0.25 1 d G U P I 3
C2DD C 0.8725(12) 0.8225(12) 0.4997(6) 0.104(8) Uani 0.25 1 d G U P I 3
H2DD H 0.867395 0.851680 0.462395 0.125 Uiso 0.25 1 d R U P I 3
C3DD C 0.9710(10) 0.8244(12) 0.5221(7) 0.091(5) Uani 0.25 1 d G U P I 3
H3DD H 0.867395 0.851680 0.462395 0.109 Uiso 0.25 1 d R U P I 3
C4DD C 0.9787(9) 0.7807(13) 0.5778(7) 0.111(6) Uani 0.25 1 d G U P I 3
H4DD H 1.044580 0.781998 0.592779 0.133 Uiso 0.25 1 d R U P I 3
C5DD C 0.8879(11) 0.7351(11) 0.6112(6) 0.096(5) Uani 0.25 1 d G U P I 3
H5DD H 0.893000 0.705904 0.648451 0.115 Uiso 0.25 1 d R U P I 3
C6DD C 0.7894(9) 0.7332(10) 0.5888(6) 0.089(4) Uani 0.25 1 d G U P I 3
H6DD H 0.728614 0.702698 0.611093 0.106 Uiso 0.25 1 d R U P I 3
C1BB C 0.7574(13) 0.9546(10) 0.5231(7) 0.079(4) Uani 0.25 1 d G U P J 1
C2BB C 0.7283(12) 1.0231(13) 0.5598(8) 0.119(5) Uani 0.25 1 d G U P J 1
H2BB H 0.660023 1.001199 0.574937 0.142 Uiso 0.25 1 d R U P J 1
C3BB C 0.8012(17) 1.1241(12) 0.5738(9) 0.102(6) Uani 0.25 1 d G U P J 1
H3BB H 0.781750 1.169937 0.598336 0.122 Uiso 0.25 1 d R U P J 1
C4BB C 0.9033(16) 1.1568(11) 0.5512(11) 0.162(9) Uani 0.25 1 d G U P J 1
H4BB H 0.952059 1.224454 0.560548 0.195 Uiso 0.25 1 d R U P J 1
C5BB C 0.9324(12) 1.0884(16) 0.5145(11) 0.166(10) Uani 0.25 1 d G U P J 1
H5BB H 0.952059 1.224454 0.560548 0.199 Uiso 0.25 1 d R U P J 1
C6BB C 0.8594(15) 0.9873(14) 0.5005(8) 0.132(6) Uani 0.25 1 d G U P J 1
H6BB H 0.878914 0.941506 0.475963 0.159 Uiso 0.25 1 d R U P J 1
C200 C 0.8600(11) 0.8371(11) 0.5063(6) 0.102(4) Uani 0.5 1 d . U P K 1
H200 H 0.902098 0.871707 0.474846 0.122 Uiso 0.5 1 d R U P K 1
C201 C 0.9037(10) 0.8074(9) 0.5541(6) 0.103(3) Uani 0.5 1 d . U P K 1
H20X H 0.861298 0.772731 0.585452 0.123 Uiso 0.5 1 d R U P K 1
H20Y H 0.976895 0.821566 0.556195 0.123 Uiso 0.5 1 d R U P K 1
C300 C 0.5479(12) 0.7049(11) 0.5389(8) 0.136(4) Uani 0.5 1 d . U P B 2
H300 H 0.498607 0.714900 0.565497 0.163 Uiso 0.5 1 d R U P B 2
C301 C 0.528(2) 0.6027(15) 0.5087(12) 0.230(8) Uani 0.5 1 d . U P B 2
H30X H 0.582554 0.603984 0.482488 0.275 Uiso 0.5 1 d R U P B 2
H30Y H 0.476635 0.542089 0.518135 0.275 Uiso 0.5 1 d R U P B 2
C400 C 0.2209(6) 0.5882(5) 0.3919(4) 0.098(2) Uani 0.75 1 d . U P A 1
H400 H 0.215276 0.569617 0.434487 0.118 Uiso 0.75 1 d R U P A 1
C500 C 0.189(3) 0.572(2) 0.350(2) 0.148(11) Uani 0.25 1 d . U P A 2
H500 H 0.234457 0.602445 0.318228 0.177 Uiso 0.25 1 d R U P A 2
C401 C 0.3169(6) 0.6525(5) 0.3786(5) 0.143(3) Uani 1 1 d . U . . .
H40X H 0.325058 0.672481 0.336438 0.171 Uiso 1 1 d R U . A .
H40Y H 0.376761 0.676944 0.411292 0.171 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1A Si10 0.676(6) . ?
Si1A O12 1.612(4) . ?
Si1A C10B 1.719(11) . ?
Si1A C400 1.817(7) . ?
Si1A C10D 1.848(5) . ?
Si1A C10A 1.898(4) . ?
Si1B Si11 0.536(7) . ?
Si1B C1GG 1.458(14) . ?
Si1B O1 1.614(7) . ?
Si1B C1AA 1.789(9) . ?
Si1B C1CC 1.899(12) . ?
Si1B C300 1.987(15) . ?
Si1B C2GG 2.200(16) . ?
Si2 O1 1.607(2) . ?
Si2 O11 1.6201(18) . ?
Si2 O2 1.6213(19) . ?
Si2 C21 1.8679(19) . ?
Si3 O6 1.6149(18) . ?
Si3 O2 1.6163(19) . ?
Si3 O3 1.6217(17) . ?
Si3 C31A 1.861(6) . ?
Si3 C31B 1.862(15) . ?
Si4 O7 1.6191(18) . ?
Si4 O3 1.6217(17) . ?
Si4 O4 1.6262(18) . ?
Si4 C41 1.8458(13) . ?
Si5 O11 1.6164(18) . ?
Si5 O10 1.619(3) . ?
Si5 O7 1.6221(18) . ?
Si5 C51B 1.764(3) . ?
Si5 C51A 1.960(3) . ?
Si6 O5 1.6123(18) . ?
Si6 O4 1.6161(18) . ?
Si6 O9 1.620(2) . ?
Si6 C61 1.8481(15) . ?
Si7 O5 1.6111(17) . ?
Si7 O8 1.6160(18) . ?
Si7 O6 1.6176(18) . ?
Si7 C71 1.84(2) . ?
Si7 C71A 1.86(2) . ?
Si8A O12 1.590(4) . ?
Si8A O8 1.622(3) . ?
Si8A O13 1.628(7) . ?
Si8A C81A 1.896(4) . ?
Si8A Si10 2.695(6) . ?
Si8B O13A 1.570(19) . ?
Si8B O12A 1.599(13) . ?
Si8B O8 1.647(8) . ?
Si8B C81B 1.977(11) . ?
Si8C O8 1.622(3) . ?
Si8C C81C 1.884(5) . ?
Si9 O13 1.594(6) . ?
Si9 O10 1.611(2) . ?
Si9 O9 1.621(2) . ?
Si9 O13A 1.699(17) . ?
Si9 C91A 1.789(3) . ?
Si9 C91B 1.927(3) . ?
Si10 O12 1.152(7) . ?
Si10 C10B 1.940(13) . ?
Si10 C10D 1.940(7) . ?
Si10 C10A 1.961(6) . ?
Si10 C400 2.400(10) . ?
Si11 O1 1.656(4) . ?
Si11 C1GG 1.695(14) . ?
Si11 C1AA 1.926(5) . ?
Si11 C1CC 2.064(11) . ?
Si11 C2GG 2.094(13) . ?
Si12 O1 1.699(7) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C31A C32A 1.3900 . ?
C31A C36A 1.3900 . ?
C32A C33A 1.3900 . ?
C33A C34A 1.3900 . ?
C34A C35A 1.3900 . ?
C35A C36A 1.3900 . ?
C31B C32B 1.3900 . ?
C31B C36B 1.3900 . ?
C32B C33B 1.3900 . ?
C33B C34B 1.3900 . ?
C34B C35B 1.3900 . ?
C35B C36B 1.3900 . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C51A C51B 0.648(6) . ?
C51A C52A 1.3900 . ?
C51A C56A 1.3900 . ?
C51A C52B 1.405(7) . ?
C51A C56B 1.582(7) . ?
C52A C56B 0.891(6) . ?
C52A C51B 1.166(5) . ?
C52A C55B 1.296(6) . ?
C52A C53A 1.3900 . ?
C52A C52B 1.676(6) . ?
C52A C54B 1.769(5) . ?
C52A C53B 1.922(6) . ?
C53A C54B 0.513(7) . ?
C53A C55B 0.968(8) . ?
C53A C54A 1.3900 . ?
C53A C53B 1.556(8) . ?
C53A C56B 1.941(6) . ?
C54A C55A 1.3900 . ?
C54A C54B 1.399(11) . ?
C54A C53B 1.750(9) . ?
C55A C56A 1.3900 . ?
C56A C52B 1.892(7) . ?
C56A C51B 2.012(6) . ?
C51B C52B 1.3900 . ?
C51B C56B 1.3900 . ?
C52B C53B 1.3900 . ?
C53B C54B 1.3900 . ?
C54B C55B 1.3900 . ?
C55B C56B 1.3900 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C63 1.3900 . ?
C63 C64 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C71 C76 1.38(2) . ?
C71 C72 1.38(2) . ?
C72 C73 1.434(19) . ?
C73 C74 1.374(15) . ?
C74 C75 1.354(16) . ?
C75 C76 1.35(2) . ?
C71A C76A 1.34(2) . ?
C71A C72A 1.39(2) . ?
C72A C73A 1.366(19) . ?
C73A C74A 1.368(14) . ?
C74A C75A 1.374(14) . ?
C75A C76A 1.41(2) . ?
C81A C82A 1.3900 . ?
C81A C86A 1.3900 . ?
C82A C83A 1.3900 . ?
C83A C84A 1.3900 . ?
C84A C85A 1.3900 . ?
C85A C86A 1.3900 . ?
C85A C85A 1.714(11) 2_565 ?
C81B C82B 1.3900 . ?
C81B C86B 1.3900 . ?
C82B C83B 1.3900 . ?
C83B C84B 1.3900 . ?
C84B C85B 1.3900 . ?
C85B C86B 1.3900 . ?
C81C C82C 1.3900 . ?
C81C C86C 1.3900 . ?
C82C C83C 1.3900 . ?
C83C C84C 1.3900 . ?
C84C C85C 1.3900 . ?
C85C C86C 1.3900 . ?
C91A C92A 1.3900 . ?
C91A C96A 1.3900 . ?
C92A C93A 1.3900 . ?
C93A C94A 1.3900 . ?
C94A C95A 1.3900 . ?
C95A C96A 1.3900 . ?
C91B C92B 1.3900 . ?
C91B C96B 1.3900 . ?
C92B C93B 1.3900 . ?
C93B C94B 1.3900 . ?
C94B C95B 1.3900 . ?
C95B C96B 1.3900 . ?
C10A C15B 0.951(18) . ?
C10A C11A 1.3900 . ?
C10A C15A 1.3900 . ?
C10A C11B 1.769(19) . ?
C11A C11B 0.784(16) . ?
C11A C10B 1.191(16) . ?
C11A C12B 1.244(17) . ?
C11A C12A 1.3900 . ?
C11A C15B 1.776(16) . ?
C11A C13B 1.812(15) . ?
C11A C14B 2.021(15) . ?
C12A C12B 1.074(19) . ?
C12A C13A 1.3900 . ?
C12A C14B 1.45(2) . ?
C12A C11B 1.994(16) . ?
C13A C14B 0.721(17) . ?
C13A C13B 1.12(2) . ?
C13A C14A 1.3900 . ?
C14A C14B 0.96(2) . ?
C14A C15A 1.3900 . ?
C14A C15B 1.480(18) . ?
C15A C15B 0.650(17) . ?
C15A C14B 1.704(19) . ?
C15A C10B 1.864(19) . ?
C10B C11B 1.3900 . ?
C10B C15B 1.3900 . ?
C11B C12B 1.3900 . ?
C12B C13B 1.3900 . ?
C13B C14B 1.3900 . ?
C14B C15B 1.3900 . ?
C10D C11D 1.3900 . ?
C10D C15D 1.3900 . ?
C11D C12D 1.3900 . ?
C12D C13D 1.3900 . ?
C13D C14D 1.3900 . ?
C14D C15D 1.3900 . ?
C10E C11E 1.3900 . ?
C10E C15E 1.3900 . ?
C11E C12E 1.3900 . ?
C12E C13E 1.3900 . ?
C13E C14E 1.3900 . ?
C14E C15E 1.3900 . ?
C1FF C2FF 1.3900 . ?
C1FF C6FF 1.3900 . ?
C2FF C3FF 1.3900 . ?
C3FF C4FF 1.3900 . ?
C4FF C5FF 1.3900 . ?
C5FF C6FF 1.3900 . ?
C1GG C300 1.33(2) . ?
C1GG C2GG 1.3900 . ?
C1GG C6GG 1.3900 . ?
C1GG C301 1.99(2) . ?
C2GG C3GG 1.3900 . ?
C3GG C4GG 1.3900 . ?
C4GG C5GG 1.3900 . ?
C5GG C6GG 1.3900 . ?
C6GG C300 1.15(2) . ?
C6GG C301 1.26(3) . ?
C1AA C6CC 1.327(19) . ?
C1AA C2AA 1.3900 . ?
C1AA C6AA 1.3900 . ?
C1AA C2CC 1.573(17) . ?
C2AA C1CC 1.204(19) . ?
C2AA C3AA 1.3900 . ?
C2AA C3CC 1.877(12) . ?
C3AA C3CC 0.704(14) . ?
C3AA C2CC 0.934(15) . ?
C3AA C4AA 1.3900 . ?
C4AA C3CC 0.703(14) . ?
C4AA C4CC 0.805(16) . ?
C4AA C5AA 1.3900 . ?
C4AA C2CC 1.934(11) . ?
C4AA C5CC 2.012(15) . ?
C5AA C5CC 0.809(15) . ?
C5AA C4CC 0.928(16) . ?
C5AA C6AA 1.3900 . ?
C5AA C6CC 1.764(13) . ?
C5AA C3CC 1.877(14) . ?
C6AA C6CC 0.586(15) . ?
C6AA C5CC 1.245(17) . ?
C6AA C1CC 1.497(17) . ?
C1CC C2CC 1.3900 . ?
C1CC C6CC 1.3900 . ?
C2CC C3CC 1.3900 . ?
C3CC C4CC 1.3900 . ?
C4CC C5CC 1.3900 . ?
C5CC C6CC 1.3900 . ?
C1DD C2DD 1.3900 . ?
C1DD C6DD 1.3900 . ?
C2DD C3DD 1.3900 . ?
C3DD C4DD 1.3900 . ?
C4DD C5DD 1.3900 . ?
C5DD C6DD 1.3900 . ?
C1BB C2BB 1.3900 . ?
C1BB C6BB 1.3900 . ?
C2BB C3BB 1.3900 . ?
C3BB C4BB 1.3900 . ?
C4BB C5BB 1.3900 . ?
C5BB C6BB 1.3900 . ?
C200 C201 1.328(15) . ?
C300 C301 1.47(3) . ?
C400 C401 1.320(10) . ?
C500 C401 1.66(3) . ?

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
Si10 Si1A O12 37.6(5) . . ?
Si10 Si1A C10B 98.7(8) . . ?
O12 Si1A C10B 111.8(7) . . ?
Si10 Si1A C400 144.6(5) . . ?
O12 Si1A C400 107.8(3) . . ?
C10B Si1A C400 104.4(7) . . ?
Si10 Si1A C10D 87.6(6) . . ?
O12 Si1A C10D 109.6(3) . . ?
C10B Si1A C10D 118.1(8) . . ?
C400 Si1A C10D 104.2(3) . . ?
Si10 Si1A C10A 85.3(5) . . ?
O12 Si1A C10A 103.0(3) . . ?
C10B Si1A C10A 14.0(7) . . ?
C400 Si1A C10A 118.2(3) . . ?
C10D Si1A C10A 113.8(3) . . ?
Si11 Si1B C1GG 107.1(16) . . ?
Si11 Si1B O1 85.0(10) . . ?
C1GG Si1B O1 124.9(9) . . ?
Si11 Si1B C1AA 96.6(13) . . ?
C1GG Si1B C1AA 117.5(8) . . ?
O1 Si1B C1AA 113.9(5) . . ?
Si11 Si1B C1CC 100.3(14) . . ?
C1GG Si1B C1CC 122.4(9) . . ?
O1 Si1B C1CC 106.8(7) . . ?
C1AA Si1B C1CC 8.1(7) . . ?
Si11 Si1B C300 147.5(16) . . ?
C1GG Si1B C300 42.2(8) . . ?
O1 Si1B C300 104.1(6) . . ?
C1AA Si1B C300 107.4(7) . . ?
C1CC Si1B C300 106.5(8) . . ?
Si11 Si1B C2GG 71.6(13) . . ?
C1GG Si1B C2GG 38.3(5) . . ?
O1 Si1B C2GG 133.8(6) . . ?
C1AA Si1B C2GG 108.1(6) . . ?
C1CC Si1B C2GG 116.0(8) . . ?
C300 Si1B C2GG 80.2(6) . . ?
O1 Si2 O11 107.10(11) . . ?
O1 Si2 O2 108.56(11) . . ?
O11 Si2 O2 109.51(10) . . ?
O1 Si2 C21 111.88(12) . . ?
O11 Si2 C21 108.40(11) . . ?
O2 Si2 C21 111.29(10) . . ?
O6 Si3 O2 109.51(10) . . ?
O6 Si3 O3 107.86(9) . . ?
O2 Si3 O3 109.55(10) . . ?
O6 Si3 C31A 112.2(3) . . ?
O2 Si3 C31A 107.7(3) . . ?
O3 Si3 C31A 109.9(3) . . ?
O6 Si3 C31B 105.1(7) . . ?
O2 Si3 C31B 110.6(6) . . ?
O3 Si3 C31B 114.0(7) . . ?
O7 Si4 O3 109.45(9) . . ?
O7 Si4 O4 109.90(9) . . ?
O3 Si4 O4 109.02(9) . . ?
O7 Si4 C41 109.64(9) . . ?
O3 Si4 C41 110.60(9) . . ?
O4 Si4 C41 108.21(9) . . ?
O11 Si5 O10 106.96(11) . . ?
O11 Si5 O7 109.41(10) . . ?
O10 Si5 O7 108.75(11) . . ?
O11 Si5 C51B 112.48(19) . . ?
O10 Si5 C51B 99.5(2) . . ?
O7 Si5 C51B 118.7(2) . . ?
O11 Si5 C51A 108.47(14) . . ?
O10 Si5 C51A 117.89(14) . . ?
O7 Si5 C51A 105.19(12) . . ?
C51B Si5 C51A 19.1(2) . . ?
O5 Si6 O4 108.85(9) . . ?
O5 Si6 O9 107.78(10) . . ?
O4 Si6 O9 109.83(10) . . ?
O5 Si6 C61 109.33(10) . . ?
O4 Si6 C61 111.57(9) . . ?
O9 Si6 C61 109.40(10) . . ?
O5 Si7 O8 108.80(10) . . ?
O5 Si7 O6 110.56(9) . . ?
O8 Si7 O6 107.36(10) . . ?
O5 Si7 C71 102.7(7) . . ?
O8 Si7 C71 112.4(9) . . ?
O6 Si7 C71 114.8(8) . . ?
O5 Si7 C71A 110.0(7) . . ?
O8 Si7 C71A 111.7(10) . . ?
O6 Si7 C71A 108.4(8) . . ?
O12 Si8A O8 109.0(3) . . ?
O12 Si8A O13 108.1(3) . . ?
O8 Si8A O13 110.8(3) . . ?
O12 Si8A C81A 121.4(3) . . ?
O8 Si8A C81A 108.18(19) . . ?
O13 Si8A C81A 98.8(3) . . ?
O12 Si8A Si10 9.0(2) . . ?
O8 Si8A Si10 117.80(19) . . ?
O13 Si8A Si10 102.0(2) . . ?
C81A Si8A Si10 117.3(2) . . ?
O13A Si8B O12A 108.1(9) . . ?
O13A Si8B O8 112.0(8) . . ?
O12A Si8B O8 104.9(7) . . ?
O13A Si8B C81B 104.8(7) . . ?
O12A Si8B C81B 114.2(8) . . ?
O8 Si8B C81B 113.0(5) . . ?
O8 Si8C C81C 106.7(2) . . ?
O13 Si9 O10 102.9(2) . . ?
O13 Si9 O9 114.5(2) . . ?
O10 Si9 O9 108.79(11) . . ?
O10 Si9 O13A 117.7(5) . . ?
O9 Si9 O13A 100.0(5) . . ?
O13 Si9 C91A 111.9(3) . . ?
O10 Si9 C91A 114.10(19) . . ?
O9 Si9 C91A 104.99(16) . . ?
O10 Si9 C91B 108.3(2) . . ?
O9 Si9 C91B 112.97(18) . . ?
O13A Si9 C91B 109.0(7) . . ?
Si1A Si10 O12 121.4(7) . . ?
Si1A Si10 C10B 61.1(7) . . ?
O12 Si10 C10B 124.3(8) . . ?
Si1A Si10 C10D 72.1(5) . . ?
O12 Si10 C10D 130.7(5) . . ?
C10B Si10 C10D 104.1(7) . . ?
Si1A Si10 C10A 74.6(5) . . ?
O12 Si10 C10A 122.1(5) . . ?
C10B Si10 C10A 14.0(6) . . ?
C10D Si10 C10A 107.1(4) . . ?
Si1A Si10 C400 26.0(4) . . ?
O12 Si10 C400 96.2(4) . . ?
C10B Si10 C400 79.4(6) . . ?
C10D Si10 C400 82.8(4) . . ?
C10A Si10 C400 93.4(4) . . ?
Si1A Si10 Si8A 129.0(5) . . ?
O12 Si10 Si8A 12.5(3) . . ?
C10B Si10 Si8A 135.5(7) . . ?
C10D Si10 Si8A 120.4(3) . . ?
C10A Si10 Si8A 131.0(3) . . ?
C400 Si10 Si8A 103.0(2) . . ?
Si1B Si11 O1 76.2(11) . . ?
Si1B Si11 C1GG 55.3(13) . . ?
O1 Si11 C1GG 108.8(6) . . ?
Si1B Si11 C1AA 67.4(12) . . ?
O1 Si11 C1AA 105.4(3) . . ?
C1GG Si11 C1AA 100.2(6) . . ?
Si1B Si11 C1CC 64.9(13) . . ?
O1 Si11 C1CC 98.3(5) . . ?
C1GG Si11 C1CC 103.0(7) . . ?
C1AA Si11 C1CC 7.1(6) . . ?
Si1B Si11 C2GG 94.3(13) . . ?
O1 Si11 C2GG 139.0(5) . . ?
C1GG Si11 C2GG 41.4(3) . . ?
C1AA Si11 C2GG 107.3(5) . . ?
C1CC Si11 C2GG 113.7(7) . . ?
Si2 O1 Si1B 152.7(3) . . ?
Si2 O1 Si11 140.2(2) . . ?
Si1B O1 Si11 18.8(2) . . ?
Si2 O1 Si12 143.0(3) . . ?
Si3 O2 Si2 145.73(13) . . ?
Si3 O3 Si4 149.24(12) . . ?
Si6 O4 Si4 137.83(11) . . ?
Si7 O5 Si6 162.08(14) . . ?
Si3 O6 Si7 145.90(11) . . ?
Si4 O7 Si5 146.25(13) . . ?
Si7 O8 Si8C 143.56(15) . . ?
Si7 O8 Si8A 143.56(15) . . ?
Si7 O8 Si8B 133.1(3) . . ?
Si6 O9 Si9 137.26(12) . . ?
Si9 O10 Si5 146.83(15) . . ?
Si5 O11 Si2 136.22(12) . . ?
Si10 O12 Si8A 158.5(6) . . ?
Si10 O12 Si1A 21.0(3) . . ?
Si8A O12 Si1A 162.6(4) . . ?
Si9 O13 Si8A 151.4(4) . . ?
Si8B O13A Si9 149.9(14) . . ?
C22 C21 C26 120.0 . . ?
C22 C21 Si2 117.53(13) . . ?
C26 C21 Si2 122.45(13) . . ?
C23 C22 C21 120.0 . . ?
C24 C23 C22 120.0 . . ?
C23 C24 C25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C21 120.0 . . ?
C32A C31A C36A 120.0 . . ?
C32A C31A Si3 118.4(5) . . ?
C36A C31A Si3 121.6(5) . . ?
C33A C32A C31A 120.0 . . ?
C32A C33A C34A 120.0 . . ?
C35A C34A C33A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C35A C36A C31A 120.0 . . ?
C32B C31B C36B 120.0 . . ?
C32B C31B Si3 122.5(11) . . ?
C36B C31B Si3 117.4(11) . . ?
C33B C32B C31B 120.0 . . ?
C32B C33B C34B 120.0 . . ?
C35B C34B C33B 120.0 . . ?
C36B C35B C34B 120.0 . . ?
C35B C36B C31B 120.0 . . ?
C42 C41 C46 120.0 . . ?
C42 C41 Si4 119.74(10) . . ?
C46 C41 Si4 120.17(10) . . ?
C41 C42 C43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C43 C44 C45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C41 120.0 . . ?
C51B C51A C52A 56.5(5) . . ?
C51B C51A C56A 160.5(6) . . ?
C52A C51A C56A 120.0 . . ?
C51B C51A C52B 75.4(6) . . ?
C52A C51A C52B 73.7(3) . . ?
C56A C51A C52B 85.3(3) . . ?
C51B C51A C56B 61.1(5) . . ?
C52A C51A C56B 34.1(2) . . ?
C56A C51A C56B 128.7(3) . . ?
C52B C51A C56B 107.3(3) . . ?
C51B C51A Si5 63.0(3) . . ?
C52A C51A Si5 116.53(19) . . ?
C56A C51A Si5 123.43(19) . . ?
C52B C51A Si5 108.8(3) . . ?
C56B C51A Si5 99.8(2) . . ?
C56B C52A C51B 83.9(4) . . ?
C56B C52A C55B 76.4(4) . . ?
C51B C52A C55B 155.9(5) . . ?
C56B C52A C53A 114.9(5) . . ?
C51B C52A C53A 144.4(3) . . ?
C55B C52A C53A 42.1(4) . . ?
C56B C52A C51A 84.8(5) . . ?
C51B C52A C51A 27.6(3) . . ?
C55B C52A C51A 134.5(5) . . ?
C53A C52A C51A 120.0 . . ?
C56B C52A C52B 137.2(5) . . ?
C51B C52A C52B 55.1(2) . . ?
C55B C52A C52B 138.2(4) . . ?
C53A C52A C52B 96.3(2) . . ?
C51A C52A C52B 53.5(2) . . ?
C56B C52A C54B 126.4(5) . . ?
C51B C52A C54B 141.8(5) . . ?
C55B C52A C54B 51.14(18) . . ?
C53A C52A C54B 12.7(3) . . ?
C51A C52A C54B 122.3(3) . . ?
C52B C52A C54B 88.6(3) . . ?
C56B C52A C53B 161.1(6) . . ?
C51B C52A C53B 99.5(4) . . ?
C55B C52A C53B 94.9(3) . . ?
C53A C52A C53B 53.2(3) . . ?
C51A C52A C53B 89.8(3) . . ?
C52B C52A C53B 44.80(15) . . ?
C54B C52A C53B 44.00(12) . . ?
C54B C53A C55B 137.4(14) . . ?
C54B C53A C52A 130.9(10) . . ?
C55B C53A C52A 63.8(4) . . ?
C54B C53A C54A 80.4(12) . . ?
C55B C53A C54A 131.5(6) . . ?
C52A C53A C54A 120.0 . . ?
C54B C53A C53B 61.9(8) . . ?
C55B C53A C53B 144.0(6) . . ?
C52A C53A C53B 81.2(2) . . ?
C54A C53A C53B 72.6(3) . . ?
C54B C53A C56B 152.2(12) . . ?
C55B C53A C56B 42.4(2) . . ?
C52A C53A C56B 24.6(2) . . ?
C54A C53A C56B 120.6(2) . . ?
C53B C53A C56B 104.7(3) . . ?
C55A C54A C53A 120.0 . . ?
C55A C54A C54B 132.5(2) . . ?
C53A C54A C54B 21.2(3) . . ?
C55A C54A C53B 89.8(3) . . ?
C53A C54A C53B 58.1(3) . . ?
C54B C54A C53B 50.9(3) . . ?
C54A C55A C56A 120.0 . . ?
C55A C56A C51A 120.0 . . ?
C55A C56A C52B 95.6(2) . . ?
C51A C56A C52B 47.7(2) . . ?
C55A C56A C51B 118.12(14) . . ?
C51A C56A C51B 6.2(2) . . ?
C52B C56A C51B 41.57(13) . . ?
C51A C51B C52A 95.9(5) . . ?
C51A C51B C52B 77.9(6) . . ?
C52A C51B C52B 81.4(3) . . ?
C51A C51B C56B 94.8(6) . . ?
C52A C51B C56B 39.6(3) . . ?
C52B C51B C56B 120.0 . . ?
C51A C51B Si5 97.9(5) . . ?
C52A C51B Si5 155.5(5) . . ?
C52B C51B Si5 121.3(3) . . ?
C56B C51B Si5 118.7(3) . . ?
C51A C51B C56A 13.3(4) . . ?
C52A C51B C56A 94.8(3) . . ?
C52B C51B C56A 64.6(3) . . ?
C56B C51B C56A 102.4(3) . . ?
Si5 C51B C56A 103.2(3) . . ?
C53B C52B C51B 120.0 . . ?
C53B C52B C51A 115.9(2) . . ?
C51B C52B C51A 26.8(3) . . ?
C53B C52B C52A 77.02(17) . . ?
C51B C52B C52A 43.45(17) . . ?
C51A C52B C52A 52.8(2) . . ?
C53B C52B C56A 98.0(3) . . ?
C51B C52B C56A 73.8(3) . . ?
C51A C52B C56A 47.1(2) . . ?
C52A C52B C56A 84.6(3) . . ?
C52B C53B C54B 120.0 . . ?
C52B C53B C53A 102.00(18) . . ?
C54B C53B C53A 19.0(2) . . ?
C52B C53B C54A 112.6(3) . . ?
C54B C53B C54A 51.4(4) . . ?
C53A C53B C54A 49.3(2) . . ?
C52B C53B C52A 58.18(16) . . ?
C54B C53B C52A 62.14(17) . . ?
C53A C53B C52A 45.62(16) . . ?
C54A C53B C52A 81.8(3) . . ?
C53A C54B C55B 28.1(10) . . ?
C53A C54B C53B 99.1(8) . . ?
C55B C54B C53B 120.0 . . ?
C53A C54B C54A 78.4(12) . . ?
C55B C54B C54A 101.3(4) . . ?
C53B C54B C54A 77.7(4) . . ?
C53A C54B C52A 36.5(7) . . ?
C55B C54B C52A 46.5(2) . . ?
C53B C54B C52A 73.9(2) . . ?
C54A C54B C52A 98.2(4) . . ?
C53A C55B C52A 74.2(4) . . ?
C53A C55B C56B 109.5(3) . . ?
C52A C55B C56B 38.6(2) . . ?
C53A C55B C54B 14.5(4) . . ?
C52A C55B C54B 82.3(2) . . ?
C56B C55B C54B 120.0 . . ?
C52A C56B C55B 65.0(4) . . ?
C52A C56B C51B 56.5(3) . . ?
C55B C56B C51B 120.0 . . ?
C52A C56B C51A 61.1(4) . . ?
C55B C56B C51A 112.8(2) . . ?
C51B C56B C51A 24.1(2) . . ?
C52A C56B C53A 40.5(3) . . ?
C55B C56B C53A 28.0(2) . . ?
C51B C56B C53A 92.4(2) . . ?
C51A C56B C53A 85.6(3) . . ?
C62 C61 C66 120.0 . . ?
C62 C61 Si6 118.23(11) . . ?
C66 C61 Si6 121.74(11) . . ?
C63 C62 C61 120.0 . . ?
C64 C63 C62 120.0 . . ?
C63 C64 C65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C76 C71 C72 116.1(18) . . ?
C76 C71 Si7 122.7(15) . . ?
C72 C71 Si7 121.1(16) . . ?
C71 C72 C73 121.2(14) . . ?
C74 C73 C72 117.9(11) . . ?
C75 C74 C73 120.8(10) . . ?
C76 C75 C74 119.9(11) . . ?
C75 C76 C71 123.7(14) . . ?
C76A C71A C72A 117.1(18) . . ?
C76A C71A Si7 119.6(15) . . ?
C72A C71A Si7 122.9(16) . . ?
C73A C72A C71A 120.3(14) . . ?
C74A C73A C72A 122.3(10) . . ?
C73A C74A C75A 118.2(11) . . ?
C74A C75A C76A 118.4(12) . . ?
C71A C76A C75A 123.3(14) . . ?
C82A C81A C86A 120.0 . . ?
C82A C81A Si8A 117.5(3) . . ?
C86A C81A Si8A 122.5(3) . . ?
C83A C82A C81A 120.0 . . ?
C84A C83A C82A 120.0 . . ?
C83A C84A C85A 120.0 . . ?
C84A C85A C86A 120.0 . . ?
C84A C85A C85A 149.4(7) . 2_565 ?
C86A C85A C85A 87.9(6) . 2_565 ?
C85A C86A C81A 120.0 . . ?
C82B C81B C86B 120.0 . . ?
C82B C81B Si8B 119.4(7) . . ?
C86B C81B Si8B 120.6(7) . . ?
C81B C82B C83B 120.0 . . ?
C84B C83B C82B 120.0 . . ?
C83B C84B C85B 120.0 . . ?
C84B C85B C86B 120.0 . . ?
C85B C86B C81B 120.0 . . ?
C82C C81C C86C 120.0 . . ?
C82C C81C Si8C 120.9(4) . . ?
C86C C81C Si8C 118.7(4) . . ?
C83C C82C C81C 120.0 . . ?
C82C C83C C84C 120.0 . . ?
C83C C84C C85C 120.0 . . ?
C86C C85C C84C 120.0 . . ?
C85C C86C C81C 120.0 . . ?
C92A C91A C96A 120.0 . . ?
C92A C91A Si9 116.1(2) . . ?
C96A C91A Si9 123.5(2) . . ?
C91A C92A C93A 120.0 . . ?
C94A C93A C92A 120.0 . . ?
C93A C94A C95A 120.0 . . ?
C96A C95A C94A 120.0 . . ?
C95A C96A C91A 120.0 . . ?
C92B C91B C96B 120.0 . . ?
C92B C91B Si9 121.3(3) . . ?
C96B C91B Si9 118.3(3) . . ?
C93B C92B C91B 120.0 . . ?
C94B C93B C92B 120.0 . . ?
C93B C94B C95B 120.0 . . ?
C96B C95B C94B 120.0 . . ?
C95B C96B C91B 120.0 . . ?
C15B C10A C11A 96.9(9) . . ?
C15B C10A C15A 24.1(11) . . ?
C11A C10A C15A 120.0 . . ?
C15B C10A C11B 121.6(11) . . ?
C11A C10A C11B 25.3(5) . . ?
C15A C10A C11B 143.3(6) . . ?
C15B C10A Si1A 145.8(10) . . ?
C11A C10A Si1A 117.0(3) . . ?
C15A C10A Si1A 122.9(3) . . ?
C11B C10A Si1A 92.6(5) . . ?
C15B C10A Si10 125.9(10) . . ?
C11A C10A Si10 136.0(3) . . ?
C15A C10A Si10 103.8(3) . . ?
C11B C10A Si10 112.4(6) . . ?
Si1A C10A Si10 20.09(18) . . ?
C11B C11A C10B 86.9(12) . . ?
C11B C11A C12B 83.2(14) . . ?
C10B C11A C12B 162.8(18) . . ?
C11B C11A C12A 130.9(16) . . ?
C10B C11A C12A 139.3(9) . . ?
C12B C11A C12A 47.8(9) . . ?
C11B C11A C10A 105.5(15) . . ?
C10B C11A C10A 19.3(9) . . ?
C12B C11A C10A 159.3(13) . . ?
C12A C11A C10A 120.0 . . ?
C11B C11A C15B 136.7(15) . . ?
C10B C11A C15B 51.4(6) . . ?
C12B C11A C15B 133.3(11) . . ?
C12A C11A C15B 88.1(6) . . ?
C10A C11A C15B 32.1(6) . . ?
C11B C11A C13B 131.9(18) . . ?
C10B C11A C13B 134.5(12) . . ?
C12B C11A C13B 50.0(5) . . ?
C12A C11A C13B 7.2(9) . . ?
C10A C11A C13B 115.6(7) . . ?
C15B C11A C13B 84.3(7) . . ?
C11B C11A C14B 163(2) . . ?
C10B C11A C14B 93.5(9) . . ?
C12B C11A C14B 91.9(8) . . ?
C12A C11A C14B 45.8(6) . . ?
C10A C11A C14B 74.2(6) . . ?
C15B C11A C14B 42.3(3) . . ?
C13B C11A C14B 42.1(3) . . ?
C12B C12A C11A 59.0(10) . . ?
C12B C12A C13A 162.0(15) . . ?
C11A C12A C13A 120.0 . . ?
C12B C12A C14B 144.6(13) . . ?
C11A C12A C14B 90.7(6) . . ?
C13A C12A C14B 29.3(6) . . ?
C12B C12A C11B 41.7(5) . . ?
C11A C12A C11B 17.3(6) . . ?
C13A C12A C11B 135.3(6) . . ?
C14B C12A C11B 106.6(7) . . ?
C14B C13A C13B 95.3(16) . . ?
C14B C13A C14A 40.1(14) . . ?
C13B C13A C14A 134.2(7) . . ?
C14B C13A C12A 80.0(14) . . ?
C13B C13A C12A 17.7(9) . . ?
C14A C13A C12A 120.0 . . ?
C14B C14A C13A 29.0(9) . . ?
C14B C14A C15A 91.1(9) . . ?
C13A C14A C15A 120.0 . . ?
C14B C14A C15B 65.5(9) . . ?
C13A C14A C15B 94.4(6) . . ?
C15A C14A C15B 25.9(6) . . ?
C15B C15A C14A 84.8(15) . . ?
C15B C15A C10A 36.6(16) . . ?
C14A C15A C10A 120.0 . . ?
C15B C15A C14B 51.0(15) . . ?
C14A C15A C14B 34.2(5) . . ?
C10A C15A C14B 85.8(5) . . ?
C15B C15A C10B 35.9(15) . . ?
C14A C15A C10B 119.0(4) . . ?
C10A C15A C10B 1.3(7) . . ?
C14B C15A C10B 84.8(7) . . ?
C11A C10B C11B 34.3(8) . . ?
C11A C10B C15B 86.6(7) . . ?
C11B C10B C15B 120.0 . . ?
C11A C10B Si1A 150.3(14) . . ?
C11B C10B Si1A 116.7(10) . . ?
C15B C10B Si1A 123.0(10) . . ?
C11A C10B C15A 101.7(9) . . ?
C11B C10B C15A 134.0(6) . . ?
C15B C10B C15A 15.9(7) . . ?
Si1A C10B C15A 107.9(9) . . ?
C11A C10B Si10 168.1(15) . . ?
C11B C10B Si10 136.7(9) . . ?
C15B C10B Si10 103.3(9) . . ?
Si1A C10B Si10 20.1(2) . . ?
C15A C10B Si10 88.8(7) . . ?
C11A C11B C12B 62.7(12) . . ?
C11A C11B C10B 58.8(11) . . ?
C12B C11B C10B 120.0 . . ?
C11A C11B C10A 49.2(11) . . ?
C12B C11B C10A 109.6(5) . . ?
C10B C11B C10A 10.5(5) . . ?
C11A C11B C12A 31.8(10) . . ?
C12B C11B C12A 31.0(5) . . ?
C10B C11B C12A 89.5(5) . . ?
C10A C11B C12A 79.3(6) . . ?
C12A C12B C11A 73.3(10) . . ?
C12A C12B C11B 107.3(7) . . ?
C11A C12B C11B 34.1(7) . . ?
C12A C12B C13B 16.2(11) . . ?
C11A C12B C13B 86.7(7) . . ?
C11B C12B C13B 120.0 . . ?
C13A C13B C12B 151.1(8) . . ?
C13A C13B C14B 31.1(8) . . ?
C12B C13B C14B 120.0 . . ?
C13A C13B C11A 107.9(10) . . ?
C12B C13B C11A 43.3(5) . . ?
C14B C13B C11A 77.1(5) . . ?
C13A C14B C14A 110.9(17) . . ?
C13A C14B C15B 173.5(17) . . ?
C14A C14B C15B 75.7(13) . . ?
C13A C14B C13B 53.6(17) . . ?
C14A C14B C13B 160.8(15) . . ?
C15B C14B C13B 120.0 . . ?
C13A C14B C12A 70.7(15) . . ?
C14A C14B C12A 176(2) . . ?
C15B C14B C12A 102.7(6) . . ?
C13B C14B C12A 18.8(7) . . ?
C13A C14B C15A 165(2) . . ?
C14A C14B C15A 54.6(9) . . ?
C15B C14B C15A 21.3(7) . . ?
C13B C14B C15A 139.4(7) . . ?
C12A C14B C15A 123.4(9) . . ?
C13A C14B C11A 114.1(18) . . ?
C14A C14B C11A 134.6(14) . . ?
C15B C14B C11A 59.4(5) . . ?
C13B C14B C11A 60.9(5) . . ?
C12A C14B C11A 43.4(4) . . ?
C15A C14B C11A 80.0(6) . . ?
C15A C15B C10A 119(2) . . ?
C15A C15B C14B 108(2) . . ?
C10A C15B C14B 128.6(9) . . ?
C15A C15B C10B 128(2) . . ?
C10A C15B C10B 9.0(10) . . ?
C14B C15B C10B 120.0 . . ?
C15A C15B C14A 69.2(15) . . ?
C10A C15B C14A 163.6(19) . . ?
C14B C15B C14A 38.9(9) . . ?
C10B C15B C14A 157.1(9) . . ?
C15A C15B C11A 164(3) . . ?
C10A C15B C11A 51.0(8) . . ?
C14B C15B C11A 78.3(5) . . ?
C10B C15B C11A 42.0(5) . . ?
C14A C15B C11A 116.9(9) . . ?
C11D C10D C15D 120.0 . . ?
C11D C10D Si1A 116.2(4) . . ?
C15D C10D Si1A 123.7(4) . . ?
C11D C10D Si10 123.5(4) . . ?
C15D C10D Si10 112.7(4) . . ?
Si1A C10D Si10 20.37(19) . . ?
C12D C11D C10D 120.0 . . ?
C13D C12D C11D 120.0 . . ?
C12D C13D C14D 120.0 . . ?
C15D C14D C13D 120.0 . . ?
C14D C15D C10D 120.0 . . ?
C11E C10E C15E 120.0 . . ?
C10E C11E C12E 120.0 . . ?
C11E C12E C13E 120.0 . . ?
C12E C13E C14E 120.0 . . ?
C15E C14E C13E 120.0 . . ?
C14E C15E C10E 120.0 . . ?
C2FF C1FF C6FF 120.0 . . ?
C3FF C2FF C1FF 120.0 . . ?
C4FF C3FF C2FF 120.0 . . ?
C3FF C4FF C5FF 120.0 . . ?
C4FF C5FF C6FF 120.0 . . ?
C5FF C6FF C1FF 120.0 . . ?
C300 C1GG C2GG 164.9(13) . . ?
C300 C1GG C6GG 49.7(10) . . ?
C2GG C1GG C6GG 120.0 . . ?
C300 C1GG Si1B 90.6(9) . . ?
C2GG C1GG Si1B 101.1(10) . . ?
C6GG C1GG Si1B 138.7(10) . . ?
C300 C1GG Si11 107.7(9) . . ?
C2GG C1GG Si11 84.9(8) . . ?
C6GG C1GG Si11 153.3(9) . . ?
Si1B C1GG Si11 17.6(4) . . ?
C300 C1GG C301 47.8(13) . . ?
C2GG C1GG C301 134.0(12) . . ?
C6GG C1GG C301 38.9(10) . . ?
Si1B C1GG C301 108.7(11) . . ?
Si11 C1GG C301 117.2(10) . . ?
C3GG C2GG C1GG 120.0 . . ?
C3GG C2GG Si11 169.3(8) . . ?
C1GG C2GG Si11 53.7(7) . . ?
C3GG C2GG Si1B 160.4(7) . . ?
C1GG C2GG Si1B 40.6(7) . . ?
Si11 C2GG Si1B 14.05(18) . . ?
C4GG C3GG C2GG 120.0 . . ?
C3GG C4GG C5GG 120.0 . . ?
C6GG C5GG C4GG 120.0 . . ?
C300 C6GG C301 75.3(18) . . ?
C300 C6GG C5GG 167.8(17) . . ?
C301 C6GG C5GG 114.9(17) . . ?
C300 C6GG C1GG 62.7(12) . . ?
C301 C6GG C1GG 97.1(16) . . ?
C5GG C6GG C1GG 120.0 . . ?
C6CC C1AA C2AA 127.7(6) . . ?
C6CC C1AA C6AA 24.8(6) . . ?
C2AA C1AA C6AA 120.0 . . ?
C6CC C1AA C2CC 111.9(8) . . ?
C2AA C1AA C2CC 17.6(4) . . ?
C6AA C1AA C2CC 102.4(4) . . ?
C6CC C1AA Si1B 117.9(7) . . ?
C2AA C1AA Si1B 109.0(4) . . ?
C6AA C1AA Si1B 130.9(4) . . ?
C2CC C1AA Si1B 126.6(7) . . ?
C6CC C1AA Si11 102.0(6) . . ?
C2AA C1AA Si11 124.4(3) . . ?
C6AA C1AA Si11 115.5(3) . . ?
C2CC C1AA Si11 142.0(6) . . ?
Si1B C1AA Si11 16.0(2) . . ?
C1CC C2AA C3AA 118.5(5) . . ?
C1CC C2AA C1AA 9.5(11) . . ?
C3AA C2AA C1AA 120.0 . . ?
C1CC C2AA C3CC 100.5(7) . . ?
C3AA C2AA C3CC 18.1(4) . . ?
C1AA C2AA C3CC 102.1(4) . . ?
C3CC C3AA C2CC 115.5(17) . . ?
C3CC C3AA C2AA 124.1(10) . . ?
C2CC C3AA C2AA 8.8(9) . . ?
C3CC C3AA C4AA 8.8(14) . . ?
C2CC C3AA C4AA 111.2(8) . . ?
C2AA C3AA C4AA 120.0 . . ?
C3CC C4AA C4CC 134(2) . . ?
C3CC C4AA C5AA 124.1(10) . . ?
C4CC C4AA C5AA 39.8(11) . . ?
C3CC C4AA C3AA 8.8(14) . . ?
C4CC C4AA C3AA 137.4(10) . . ?
C5AA C4AA C3AA 120.0 . . ?
C3CC C4AA C2CC 32.1(7) . . ?
C4CC C4AA C2CC 116.8(9) . . ?
C5AA C4AA C2CC 93.2(5) . . ?
C3AA C4AA C2CC 26.8(5) . . ?
C3CC C4AA C5CC 116.3(11) . . ?
C4CC C4AA C5CC 31.4(6) . . ?
C5AA C4AA C5CC 17.8(5) . . ?
C3AA C4AA C5CC 114.9(4) . . ?
C2CC C4AA C5CC 89.5(4) . . ?
C5CC C5AA C4CC 106.1(18) . . ?
C5CC C5AA C6AA 62.5(12) . . ?
C4CC C5AA C6AA 136.2(8) . . ?
C5CC C5AA C4AA 130.5(13) . . ?
C4CC C5AA C4AA 33.7(10) . . ?
C6AA C5AA C4AA 120.0 . . ?
C5CC C5AA C6CC 50.0(7) . . ?
C4CC C5AA C6CC 123.9(10) . . ?
C6AA C5AA C6CC 16.6(6) . . ?
C4AA C5AA C6CC 117.4(6) . . ?
C5CC C5AA C3CC 122.2(12) . . ?
C4CC C5AA C3CC 45.3(6) . . ?
C6AA C5AA C3CC 102.1(4) . . ?
C4AA C5AA C3CC 18.1(4) . . ?
C6CC C5AA C3CC 99.5(5) . . ?
C6CC C6AA C5CC 91.5(19) . . ?
C6CC C6AA C5AA 120.9(17) . . ?
C5CC C6AA C5AA 35.2(7) . . ?
C6CC C6AA C1AA 71.6(19) . . ?
C5CC C6AA C1AA 132.9(8) . . ?
C5AA C6AA C1AA 120.0 . . ?
C6CC C6AA C1CC 68.2(15) . . ?
C5CC C6AA C1CC 122.6(10) . . ?
C5AA C6AA C1CC 112.6(5) . . ?
C1AA C6AA C1CC 10.4(7) . . ?
C2AA C1CC C2CC 20.1(5) . . ?
C2AA C1CC C6CC 140.0(6) . . ?
C2CC C1CC C6CC 120.0 . . ?
C2AA C1CC C6AA 125.7(9) . . ?
C2CC C1CC C6AA 106.4(5) . . ?
C6CC C1CC C6AA 23.0(6) . . ?
C2AA C1CC Si1B 111.8(9) . . ?
C2CC C1CC Si1B 131.5(9) . . ?
C6CC C1CC Si1B 108.2(9) . . ?
C6AA C1CC Si1B 116.6(10) . . ?
C2AA C1CC Si11 126.5(8) . . ?
C2CC C1CC Si11 146.3(8) . . ?
C6CC C1CC Si11 93.4(8) . . ?
C6AA C1CC Si11 103.5(9) . . ?
Si1B C1CC Si11 14.8(2) . . ?
C3AA C2CC C1CC 147.0(8) . . ?
C3AA C2CC C3CC 27.2(8) . . ?
C1CC C2CC C3CC 120.0 . . ?
C3AA C2CC C1AA 146.4(12) . . ?
C1CC C2CC C1AA 8.4(8) . . ?
C3CC C2CC C1AA 119.4(5) . . ?
C3AA C2CC C4AA 42.1(5) . . ?
C1CC C2CC C4AA 105.9(4) . . ?
C3CC C2CC C4AA 15.6(5) . . ?
C1AA C2CC C4AA 104.4(7) . . ?
C3AA C3CC C4AA 162(3) . . ?
C3AA C3CC C2CC 37.3(12) . . ?
C4AA C3CC C2CC 132.3(11) . . ?
C3AA C3CC C4CC 157.0(12) . . ?
C4AA C3CC C4CC 24.5(12) . . ?
C2CC C3CC C4CC 120.0 . . ?
C3AA C3CC C2AA 37.8(7) . . ?
C4AA C3CC C2AA 132.3(14) . . ?
C2CC C3CC C2AA 1.3(8) . . ?
C4CC C3CC C2AA 119.4(6) . . ?
C3AA C3CC C5AA 132.3(14) . . ?
C4AA C3CC C5AA 37.8(8) . . ?
C2CC C3CC C5AA 95.8(4) . . ?
C4CC C3CC C5AA 28.3(5) . . ?
C2AA C3CC C5AA 95.5(6) . . ?
C4AA C4CC C5AA 106.5(16) . . ?
C4AA C4CC C5CC 131.0(8) . . ?
C5AA C4CC C5CC 34.0(10) . . ?
C4AA C4CC C3CC 21.2(9) . . ?
C5AA C4CC C3CC 106.4(9) . . ?
C5CC C4CC C3CC 120.0 . . ?
C5AA C5CC C6AA 82.2(13) . . ?
C5AA C5CC C4CC 39.9(12) . . ?
C6AA C5CC C4CC 109.8(7) . . ?
C5AA C5CC C6CC 103.5(9) . . ?
C6AA C5CC C6CC 24.9(7) . . ?
C4CC C5CC C6CC 120.0 . . ?
C5AA C5CC C4AA 31.7(8) . . ?
C6AA C5CC C4AA 92.3(7) . . ?
C4CC C5CC C4AA 17.6(4) . . ?
C6CC C5CC C4AA 103.6(3) . . ?
C6AA C6CC C1AA 83.6(19) . . ?
C6AA C6CC C5CC 63.5(16) . . ?
C1AA C6CC C5CC 125.5(6) . . ?
C6AA C6CC C1CC 88.8(17) . . ?
C1AA C6CC C1CC 11.7(9) . . ?
C5CC C6CC C1CC 120.0 . . ?
C6AA C6CC C5AA 42.6(12) . . ?
C1AA C6CC C5AA 101.4(8) . . ?
C5CC C6CC C5AA 26.5(5) . . ?
C1CC C6CC C5AA 98.6(5) . . ?
C2DD C1DD C6DD 120.0 . . ?
C3DD C2DD C1DD 120.0 . . ?
C2DD C3DD C4DD 120.0 . . ?
C5DD C4DD C3DD 120.0 . . ?
C4DD C5DD C6DD 120.0 . . ?
C5DD C6DD C1DD 120.0 . . ?
C2BB C1BB C6BB 120.0 . . ?
C1BB C2BB C3BB 120.0 . . ?
C2BB C3BB C4BB 120.0 . . ?
C5BB C4BB C3BB 120.0 . . ?
C4BB C5BB C6BB 120.0 . . ?
C5BB C6BB C1BB 120.0 . . ?
C6GG C300 C1GG 67.7(11) . . ?
C6GG C300 C301 55.7(15) . . ?
C1GG C300 C301 90.0(17) . . ?
C6GG C300 Si1B 113.9(14) . . ?
C1GG C300 Si1B 47.2(7) . . ?
C301 C300 Si1B 108.1(15) . . ?
C6GG C301 C300 48.9(12) . . ?
C6GG C301 C1GG 44.0(8) . . ?
C300 C301 C1GG 42.2(8) . . ?
C401 C400 Si1A 124.2(7) . . ?
C401 C400 Si10 114.8(6) . . ?
Si1A C400 Si10 9.39(15) . . ?

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
C10B Si1A Si10 O12 114.7(10) . . . . ?
C400 Si1A Si10 O12 -15.9(15) . . . . ?
C10D Si1A Si10 O12 -127.2(7) . . . . ?
C10A Si1A Si10 O12 118.6(7) . . . . ?
O12 Si1A Si10 C10B -114.7(10) . . . . ?
C400 Si1A Si10 C10B -130.6(12) . . . . ?
C10D Si1A Si10 C10B 118.0(8) . . . . ?
C10A Si1A Si10 C10B 3.9(9) . . . . ?
O12 Si1A Si10 C10D 127.2(7) . . . . ?
C10B Si1A Si10 C10D -118.0(8) . . . . ?
C400 Si1A Si10 C10D 111.3(10) . . . . ?
C10A Si1A Si10 C10D -114.2(3) . . . . ?
O12 Si1A Si10 C10A -118.6(7) . . . . ?
C10B Si1A Si10 C10A -3.9(9) . . . . ?
C400 Si1A Si10 C10A -134.5(9) . . . . ?
C10D Si1A Si10 C10A 114.2(3) . . . . ?
O12 Si1A Si10 C400 15.9(15) . . . . ?
C10B Si1A Si10 C400 130.6(12) . . . . ?
C10D Si1A Si10 C400 -111.3(10) . . . . ?
C10A Si1A Si10 C400 134.5(9) . . . . ?
O12 Si1A Si10 Si8A 12.2(3) . . . . ?
C10B Si1A Si10 Si8A 126.9(9) . . . . ?
C400 Si1A Si10 Si8A -3.7(14) . . . . ?
C10D Si1A Si10 Si8A -115.0(6) . . . . ?
C10A Si1A Si10 Si8A 130.8(6) . . . . ?
C1GG Si1B Si11 O1 125.0(11) . . . . ?
C1AA Si1B Si11 O1 -113.5(6) . . . . ?
C1CC Si1B Si11 O1 -106.2(8) . . . . ?
C300 Si1B Si11 O1 109(2) . . . . ?
C2GG Si1B Si11 O1 139.6(5) . . . . ?
O1 Si1B Si11 C1GG -125.0(11) . . . . ?
C1AA Si1B Si11 C1GG 121.5(12) . . . . ?
C1CC Si1B Si11 C1GG 128.8(13) . . . . ?
C300 Si1B Si11 C1GG -16(2) . . . . ?
C2GG Si1B Si11 C1GG 14.6(10) . . . . ?
C1GG Si1B Si11 C1AA -121.5(12) . . . . ?
O1 Si1B Si11 C1AA 113.5(6) . . . . ?
C1CC Si1B Si11 C1AA 7.3(7) . . . . ?
C300 Si1B Si11 C1AA -138(3) . . . . ?
C2GG Si1B Si11 C1AA -106.9(6) . . . . ?
C1GG Si1B Si11 C1CC -128.8(13) . . . . ?
O1 Si1B Si11 C1CC 106.2(8) . . . . ?
C1AA Si1B Si11 C1CC -7.3(7) . . . . ?
C300 Si1B Si11 C1CC -145(3) . . . . ?
C2GG Si1B Si11 C1CC -114.2(8) . . . . ?
C1GG Si1B Si11 C2GG -14.6(10) . . . . ?
O1 Si1B Si11 C2GG -139.6(5) . . . . ?
C1AA Si1B Si11 C2GG 106.9(6) . . . . ?
C1CC Si1B Si11 C2GG 114.2(8) . . . . ?
C300 Si1B Si11 C2GG -31(3) . . . . ?
O11 Si2 O1 Si1B 179.6(7) . . . . ?
O2 Si2 O1 Si1B -62.3(8) . . . . ?
C21 Si2 O1 Si1B 60.9(8) . . . . ?
O11 Si2 O1 Si11 153.7(3) . . . . ?
O2 Si2 O1 Si11 -88.2(3) . . . . ?
C21 Si2 O1 Si11 35.0(3) . . . . ?
O11 Si2 O1 Si12 -128.0(6) . . . . ?
O2 Si2 O1 Si12 -9.8(7) . . . . ?
C21 Si2 O1 Si12 113.4(7) . . . . ?
Si11 Si1B O1 Si2 -60.3(17) . . . . ?
C1GG Si1B O1 Si2 -167.7(8) . . . . ?
C1AA Si1B O1 Si2 34.7(10) . . . . ?
C1CC Si1B O1 Si2 39.0(10) . . . . ?
C300 Si1B O1 Si2 151.4(7) . . . . ?
C2GG Si1B O1 Si2 -118.8(8) . . . . ?
C1GG Si1B O1 Si11 -107.4(17) . . . . ?
C1AA Si1B O1 Si11 95.0(12) . . . . ?
C1CC Si1B O1 Si11 99.3(14) . . . . ?
C300 Si1B O1 Si11 -148.3(16) . . . . ?
C2GG Si1B O1 Si11 -58.5(12) . . . . ?
Si1B Si11 O1 Si2 141.6(12) . . . . ?
C1GG Si11 O1 Si2 -173.1(6) . . . . ?
C1AA Si11 O1 Si2 80.2(4) . . . . ?
C1CC Si11 O1 Si2 80.1(6) . . . . ?
C2GG Si11 O1 Si2 -137.9(6) . . . . ?
C1GG Si11 O1 Si1B 45.3(13) . . . . ?
C1AA Si11 O1 Si1B -61.4(12) . . . . ?
C1CC Si11 O1 Si1B -61.5(13) . . . . ?
C2GG Si11 O1 Si1B 80.6(14) . . . . ?
O6 Si3 O2 Si2 105.4(2) . . . . ?
O3 Si3 O2 Si2 -12.7(3) . . . . ?
C31A Si3 O2 Si2 -132.2(4) . . . . ?
C31B Si3 O2 Si2 -139.2(8) . . . . ?
O1 Si2 O2 Si3 -173.0(2) . . . . ?
O11 Si2 O2 Si3 -56.4(3) . . . . ?
C21 Si2 O2 Si3 63.5(3) . . . . ?
O6 Si3 O3 Si4 -67.6(3) . . . . ?
O2 Si3 O3 Si4 51.5(3) . . . . ?
C31A Si3 O3 Si4 169.7(3) . . . . ?
C31B Si3 O3 Si4 176.0(7) . . . . ?
O7 Si4 O3 Si3 -26.0(3) . . . . ?
O4 Si4 O3 Si3 94.2(2) . . . . ?
C41 Si4 O3 Si3 -146.9(2) . . . . ?
O5 Si6 O4 Si4 46.4(2) . . . . ?
O9 Si6 O4 Si4 -71.37(18) . . . . ?
C61 Si6 O4 Si4 167.15(16) . . . . ?
O7 Si4 O4 Si6 63.85(19) . . . . ?
O3 Si4 O4 Si6 -56.12(19) . . . . ?
C41 Si4 O4 Si6 -176.46(15) . . . . ?
O8 Si7 O5 Si6 -73.3(4) . . . . ?
O6 Si7 O5 Si6 44.4(5) . . . . ?
C71 Si7 O5 Si6 167.4(10) . . . . ?
C71A Si7 O5 Si6 164.1(11) . . . . ?
O4 Si6 O5 Si7 -67.5(4) . . . . ?
O9 Si6 O5 Si7 51.6(5) . . . . ?
C61 Si6 O5 Si7 170.4(4) . . . . ?
O2 Si3 O6 Si7 -143.88(19) . . . . ?
O3 Si3 O6 Si7 -24.7(2) . . . . ?
C31A Si3 O6 Si7 96.5(4) . . . . ?
C31B Si3 O6 Si7 97.3(7) . . . . ?
O5 Si7 O6 Si3 32.3(2) . . . . ?
O8 Si7 O6 Si3 150.89(19) . . . . ?
C71 Si7 O6 Si3 -83.3(9) . . . . ?
C71A Si7 O6 Si3 -88.3(9) . . . . ?
O3 Si4 O7 Si5 50.0(2) . . . . ?
O4 Si4 O7 Si5 -69.7(2) . . . . ?
C41 Si4 O7 Si5 171.5(2) . . . . ?
O11 Si5 O7 Si4 -80.1(2) . . . . ?
O10 Si5 O7 Si4 36.4(2) . . . . ?
C51B Si5 O7 Si4 149.0(3) . . . . ?
C51A Si5 O7 Si4 163.6(2) . . . . ?
O5 Si7 O8 Si8C 7.6(3) . . . . ?
O6 Si7 O8 Si8C -112.1(2) . . . . ?
O5 Si7 O8 Si8A 7.6(3) . . . . ?
O6 Si7 O8 Si8A -112.1(2) . . . . ?
C71 Si7 O8 Si8A 120.7(7) . . . . ?
O5 Si7 O8 Si8B -11.8(4) . . . . ?
O6 Si7 O8 Si8B -131.5(4) . . . . ?
C71A Si7 O8 Si8B 109.8(8) . . . . ?
C81C Si8C O8 Si7 -95.6(3) . . . . ?
O12 Si8A O8 Si7 157.0(3) . . . . ?
O13 Si8A O8 Si7 38.1(3) . . . . ?
C81A Si8A O8 Si7 -69.1(4) . . . . ?
Si10 Si8A O8 Si7 154.9(2) . . . . ?
O13A Si8B O8 Si7 59.4(8) . . . . ?
O12A Si8B O8 Si7 176.4(7) . . . . ?
C81B Si8B O8 Si7 -58.6(7) . . . . ?
O5 Si6 O9 Si9 -32.9(2) . . . . ?
O4 Si6 O9 Si9 85.6(2) . . . . ?
C61 Si6 O9 Si9 -151.66(19) . . . . ?
O13 Si9 O9 Si6 64.7(3) . . . . ?
O10 Si9 O9 Si6 -49.7(2) . . . . ?
O13A Si9 O9 Si6 74.3(7) . . . . ?
C91A Si9 O9 Si6 -172.3(2) . . . . ?
C91B Si9 O9 Si6 -170.1(2) . . . . ?
O13 Si9 O10 Si5 -177.2(4) . . . . ?
O9 Si9 O10 Si5 -55.4(3) . . . . ?
O13A Si9 O10 Si5 -168.1(7) . . . . ?
C91A Si9 O10 Si5 61.4(3) . . . . ?
C91B Si9 O10 Si5 67.7(3) . . . . ?
O11 Si5 O10 Si9 179.4(3) . . . . ?
O7 Si5 O10 Si9 61.4(3) . . . . ?
C51B Si5 O10 Si9 -63.4(3) . . . . ?
C51A Si5 O10 Si9 -58.1(3) . . . . ?
O10 Si5 O11 Si2 -113.9(2) . . . . ?
O7 Si5 O11 Si2 3.7(2) . . . . ?
C51B Si5 O11 Si2 137.9(3) . . . . ?
C51A Si5 O11 Si2 117.9(2) . . . . ?
O1 Si2 O11 Si5 -177.6(2) . . . . ?
O2 Si2 O11 Si5 64.9(2) . . . . ?
C21 Si2 O11 Si5 -56.7(2) . . . . ?
Si1A Si10 O12 Si8A 130.7(13) . . . . ?
C10B Si10 O12 Si8A -154.8(12) . . . . ?
C10D Si10 O12 Si8A 37.8(18) . . . . ?
C10A Si10 O12 Si8A -138.3(11) . . . . ?
C400 Si10 O12 Si8A 123.7(13) . . . . ?
C10B Si10 O12 Si1A 74.5(11) . . . . ?
C10D Si10 O12 Si1A -92.9(10) . . . . ?
C10A Si10 O12 Si1A 91.0(10) . . . . ?
C400 Si10 O12 Si1A -6.9(7) . . . . ?
Si8A Si10 O12 Si1A -130.7(13) . . . . ?
O8 Si8A O12 Si10 -168.2(13) . . . . ?
O13 Si8A O12 Si10 -47.7(14) . . . . ?
C81A Si8A O12 Si10 65.1(14) . . . . ?
O8 Si8A O12 Si1A -103.1(13) . . . . ?
O13 Si8A O12 Si1A 17.4(14) . . . . ?
C81A Si8A O12 Si1A 130.2(12) . . . . ?
Si10 Si8A O12 Si1A 65.1(16) . . . . ?
C10B Si1A O12 Si10 -75.3(11) . . . . ?
C400 Si1A O12 Si10 170.4(9) . . . . ?
C10D Si1A O12 Si10 57.6(9) . . . . ?
C10A Si1A O12 Si10 -63.9(9) . . . . ?
Si10 Si1A O12 Si8A -111.5(17) . . . . ?
C10B Si1A O12 Si8A 173.2(14) . . . . ?
C400 Si1A O12 Si8A 58.9(14) . . . . ?
C10D Si1A O12 Si8A -53.9(14) . . . . ?
C10A Si1A O12 Si8A -175.4(13) . . . . ?
O10 Si9 O13 Si8A 86.7(7) . . . . ?
O9 Si9 O13 Si8A -31.2(8) . . . . ?
C91A Si9 O13 Si8A -150.4(7) . . . . ?
O12 Si8A O13 Si9 -150.6(7) . . . . ?
O8 Si8A O13 Si9 -31.2(8) . . . . ?
C81A Si8A O13 Si9 82.1(8) . . . . ?
Si10 Si8A O13 Si9 -157.4(7) . . . . ?
O12A Si8B O13A Si9 -126.6(18) . . . . ?
O8 Si8B O13A Si9 -12(2) . . . . ?
C81B Si8B O13A Si9 111.3(17) . . . . ?
O10 Si9 O13A Si8B 50.2(19) . . . . ?
O9 Si9 O13A Si8B -67.4(18) . . . . ?
C91B Si9 O13A Si8B 174.0(16) . . . . ?
O1 Si2 C21 C22 80.32(15) . . . . ?
O11 Si2 C21 C22 -37.55(15) . . . . ?
O2 Si2 C21 C22 -158.04(13) . . . . ?
O1 Si2 C21 C26 -98.24(16) . . . . ?
O11 Si2 C21 C26 143.89(14) . . . . ?
O2 Si2 C21 C26 23.40(17) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
Si2 C21 C22 C23 -178.60(17) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
Si2 C21 C26 C25 178.53(18) . . . . ?
O6 Si3 C31A C32A -56.8(5) . . . . ?
O2 Si3 C31A C32A -177.5(4) . . . . ?
O3 Si3 C31A C32A 63.2(5) . . . . ?
O6 Si3 C31A C36A 121.8(4) . . . . ?
O2 Si3 C31A C36A 1.1(5) . . . . ?
O3 Si3 C31A C36A -118.2(4) . . . . ?
C36A C31A C32A C33A 0.0 . . . . ?
Si3 C31A C32A C33A 178.6(6) . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C33A C34A C35A C36A 0.0 . . . . ?
C34A C35A C36A C31A 0.0 . . . . ?
C32A C31A C36A C35A 0.0 . . . . ?
Si3 C31A C36A C35A -178.6(6) . . . . ?
O6 Si3 C31B C32B -64.8(11) . . . . ?
O2 Si3 C31B C32B 177.1(9) . . . . ?
O3 Si3 C31B C32B 53.1(13) . . . . ?
O6 Si3 C31B C36B 117.9(8) . . . . ?
O2 Si3 C31B C36B -0.2(11) . . . . ?
O3 Si3 C31B C36B -124.2(8) . . . . ?
C36B C31B C32B C33B 0.0 . . . . ?
Si3 C31B C32B C33B -177.3(16) . . . . ?
C31B C32B C33B C34B 0.0 . . . . ?
C32B C33B C34B C35B 0.0 . . . . ?
C33B C34B C35B C36B 0.0 . . . . ?
C34B C35B C36B C31B 0.0 . . . . ?
C32B C31B C36B C35B 0.0 . . . . ?
Si3 C31B C36B C35B 177.4(15) . . . . ?
O7 Si4 C41 C42 -28.02(14) . . . . ?
O3 Si4 C41 C42 92.77(13) . . . . ?
O4 Si4 C41 C42 -147.88(12) . . . . ?
O7 Si4 C41 C46 155.50(12) . . . . ?
O3 Si4 C41 C46 -83.71(14) . . . . ?
O4 Si4 C41 C46 35.64(14) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
Si4 C41 C42 C43 -176.49(15) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
Si4 C41 C46 C45 176.47(15) . . . . ?
C51B C51A C52A C56B -86.8(7) . . . . ?
C56A C51A C52A C56B 115.8(5) . . . . ?
C52B C51A C52A C56B -169.8(6) . . . . ?
Si5 C51A C52A C56B -66.5(5) . . . . ?
C56A C51A C52A C51B -157.4(7) . . . . ?
C52B C51A C52A C51B -83.0(7) . . . . ?
C56B C51A C52A C51B 86.8(7) . . . . ?
Si5 C51A C52A C51B 20.3(6) . . . . ?
C51B C51A C52A C55B -152.0(9) . . . . ?
C56A C51A C52A C55B 50.6(5) . . . . ?
C52B C51A C52A C55B 125.0(5) . . . . ?
C56B C51A C52A C55B -65.2(5) . . . . ?
Si5 C51A C52A C55B -131.7(5) . . . . ?
C51B C51A C52A C53A 157.4(7) . . . . ?
C56A C51A C52A C53A 0.0 . . . . ?
C52B C51A C52A C53A 74.4(3) . . . . ?
C56B C51A C52A C53A -115.8(5) . . . . ?
Si5 C51A C52A C53A 177.7(3) . . . . ?
C51B C51A C52A C52B 83.0(7) . . . . ?
C56A C51A C52A C52B -74.4(3) . . . . ?
C56B C51A C52A C52B 169.8(6) . . . . ?
Si5 C51A C52A C52B 103.3(3) . . . . ?
C51B C51A C52A C54B 142.8(8) . . . . ?
C56A C51A C52A C54B -14.6(4) . . . . ?
C52B C51A C52A C54B 59.8(4) . . . . ?
C56B C51A C52A C54B -130.4(7) . . . . ?
Si5 C51A C52A C54B 163.1(4) . . . . ?
C51B C51A C52A C53B 111.4(7) . . . . ?
C56A C51A C52A C53B -46.0(3) . . . . ?
C52B C51A C52A C53B 28.4(2) . . . . ?
C56B C51A C52A C53B -161.8(6) . . . . ?
Si5 C51A C52A C53B 131.7(3) . . . . ?
C56B C52A C53A C54B 157.1(17) . . . . ?
C51B C52A C53A C54B -86.3(17) . . . . ?
C55B C52A C53A C54B 131.2(19) . . . . ?
C51A C52A C53A C54B -104.2(15) . . . . ?
C52B C52A C53A C54B -53.0(14) . . . . ?
C53B C52A C53A C54B -40.1(13) . . . . ?
C56B C52A C53A C55B 25.9(5) . . . . ?
C51B C52A C53A C55B 142.5(9) . . . . ?
C51A C52A C53A C55B 124.6(7) . . . . ?
C52B C52A C53A C55B 175.8(7) . . . . ?
C54B C52A C53A C55B -131.2(19) . . . . ?
C53B C52A C53A C55B -171.3(8) . . . . ?
C56B C52A C53A C54A -98.8(6) . . . . ?
C51B C52A C53A C54A 17.8(6) . . . . ?
C55B C52A C53A C54A -124.6(7) . . . . ?
C51A C52A C53A C54A 0.0 . . . . ?
C52B C52A C53A C54A 51.2(3) . . . . ?
C54B C52A C53A C54A 104.2(15) . . . . ?
C53B C52A C53A C54A 64.0(3) . . . . ?
C56B C52A C53A C53B -162.8(6) . . . . ?
C51B C52A C53A C53B -46.2(7) . . . . ?
C55B C52A C53A C53B 171.3(8) . . . . ?
C51A C52A C53A C53B -64.0(3) . . . . ?
C52B C52A C53A C53B -12.8(3) . . . . ?
C54B C52A C53A C53B 40.1(13) . . . . ?
C51B C52A C53A C56B 116.6(9) . . . . ?
C55B C52A C53A C56B -25.9(5) . . . . ?
C51A C52A C53A C56B 98.8(6) . . . . ?
C52B C52A C53A C56B 150.0(6) . . . . ?
C54B C52A C53A C56B -157.1(17) . . . . ?
C53B C52A C53A C56B 162.8(6) . . . . ?
C54B C53A C54A C55A 132.0(9) . . . . ?
C55B C53A C54A C55A -80.2(4) . . . . ?
C52A C53A C54A C55A 0.0 . . . . ?
C53B C53A C54A C55A 68.6(2) . . . . ?
C56B C53A C54A C55A -28.6(2) . . . . ?
C55B C53A C54A C54B 147.9(11) . . . . ?
C52A C53A C54A C54B -132.0(9) . . . . ?
C53B C53A C54A C54B -63.4(8) . . . . ?
C56B C53A C54A C54B -160.5(10) . . . . ?
C54B C53A C54A C53B 63.4(8) . . . . ?
C55B C53A C54A C53B -148.8(5) . . . . ?
C52A C53A C54A C53B -68.6(2) . . . . ?
C56B C53A C54A C53B -97.2(3) . . . . ?
C53A C54A C55A C56A 0.0 . . . . ?
C54B C54A C55A C56A 21.4(5) . . . . ?
C53B C54A C55A C56A 52.20(19) . . . . ?
C54A C55A C56A C51A 0.0 . . . . ?
C54A C55A C56A C52B -43.59(19) . . . . ?
C54A C55A C56A C51B -6.7(2) . . . . ?
C51B C51A C56A C55A -73.9(14) . . . . ?
C52A C51A C56A C55A 0.0 . . . . ?
C52B C51A C56A C55A -68.1(3) . . . . ?
C56B C51A C56A C55A 40.3(3) . . . . ?
Si5 C51A C56A C55A -177.5(3) . . . . ?
C51B C51A C56A C52B -5.8(13) . . . . ?
C52A C51A C56A C52B 68.1(3) . . . . ?
C56B C51A C56A C52B 108.4(4) . . . . ?
Si5 C51A C56A C52B -109.4(3) . . . . ?
C52A C51A C56A C51B 73.9(14) . . . . ?
C52B C51A C56A C51B 5.8(13) . . . . ?
C56B C51A C56A C51B 114.3(15) . . . . ?
Si5 C51A C56A C51B -103.6(15) . . . . ?
C56A C51A C51B C52A 85.9(15) . . . . ?
C52B C51A C51B C52A 79.9(4) . . . . ?
C56B C51A C51B C52A -39.8(3) . . . . ?
Si5 C51A C51B C52A -159.6(6) . . . . ?
C52A C51A C51B C52B -79.9(4) . . . . ?
C56A C51A C51B C52B 6.0(13) . . . . ?
C56B C51A C51B C52B -119.69(12) . . . . ?
Si5 C51A C51B C52B 120.5(3) . . . . ?
C52A C51A C51B C56B 39.8(3) . . . . ?
C56A C51A C51B C56B 125.7(14) . . . . ?
C52B C51A C51B C56B 119.69(12) . . . . ?
Si5 C51A C51B C56B -119.9(4) . . . . ?
C52A C51A C51B Si5 159.6(6) . . . . ?
C56A C51A C51B Si5 -114.5(12) . . . . ?
C52B C51A C51B Si5 -120.5(3) . . . . ?
C56B C51A C51B Si5 119.9(4) . . . . ?
C52A C51A C51B C56A -85.9(15) . . . . ?
C52B C51A C51B C56A -6.0(13) . . . . ?
C56B C51A C51B C56A -125.7(14) . . . . ?
Si5 C51A C51B C56A 114.5(12) . . . . ?
C56B C52A C51B C51A 90.4(8) . . . . ?
C55B C52A C51B C51A 55.1(17) . . . . ?
C53A C52A C51B C51A -34.9(11) . . . . ?
C52B C52A C51B C51A -76.7(7) . . . . ?
C54B C52A C51B C51A -55.7(11) . . . . ?
C53B C52A C51B C51A -70.8(7) . . . . ?
C56B C52A C51B C52B 167.2(4) . . . . ?
C55B C52A C51B C52B 131.9(13) . . . . ?
C53A C52A C51B C52B 41.8(6) . . . . ?
C51A C52A C51B C52B 76.7(7) . . . . ?
C54B C52A C51B C52B 21.1(7) . . . . ?
C53B C52A C51B C52B 5.96(19) . . . . ?
C55B C52A C51B C56B -35.3(10) . . . . ?
C53A C52A C51B C56B -125.3(8) . . . . ?
C51A C52A C51B C56B -90.4(8) . . . . ?
C52B C52A C51B C56B -167.2(4) . . . . ?
C54B C52A C51B C56B -146.1(10) . . . . ?
C53B C52A C51B C56B -161.2(6) . . . . ?
C56B C52A C51B Si5 -33.4(15) . . . . ?
C55B C52A C51B Si5 -68.7(19) . . . . ?
C53A C52A C51B Si5 -158.8(8) . . . . ?
C51A C52A C51B Si5 -123.8(16) . . . . ?
C52B C52A C51B Si5 159.4(12) . . . . ?
C54B C52A C51B Si5 -179.5(10) . . . . ?
C53B C52A C51B Si5 165.4(11) . . . . ?
C56B C52A C51B C56A 103.8(5) . . . . ?
C55B C52A C51B C56A 68.5(14) . . . . ?
C53A C52A C51B C56A -21.6(7) . . . . ?
C51A C52A C51B C56A 13.3(4) . . . . ?
C52B C52A C51B C56A -63.4(3) . . . . ?
C54B C52A C51B C56A -42.3(8) . . . . ?
C53B C52A C51B C56A -57.4(4) . . . . ?
O11 Si5 C51B C51A -81.5(7) . . . . ?
O10 Si5 C51B C51A 165.6(6) . . . . ?
O7 Si5 C51B C51A 48.0(7) . . . . ?
O11 Si5 C51B C52A 41.9(13) . . . . ?
O10 Si5 C51B C52A -70.9(12) . . . . ?
O7 Si5 C51B C52A 171.5(11) . . . . ?
C51A Si5 C51B C52A 123.5(16) . . . . ?
O11 Si5 C51B C52B -162.1(3) . . . . ?
O10 Si5 C51B C52B 85.0(4) . . . . ?
O7 Si5 C51B C52B -32.5(5) . . . . ?
C51A Si5 C51B C52B -80.5(7) . . . . ?
O11 Si5 C51B C56B 18.3(4) . . . . ?
O10 Si5 C51B C56B -94.5(4) . . . . ?
O7 Si5 C51B C56B 147.9(3) . . . . ?
C51A Si5 C51B C56B 99.9(8) . . . . ?
O11 Si5 C51B C56A -94.0(3) . . . . ?
O10 Si5 C51B C56A 153.1(2) . . . . ?
O7 Si5 C51B C56A 35.6(3) . . . . ?
C51A Si5 C51B C56A -12.4(4) . . . . ?
C51A C51B C52B C53B 88.5(5) . . . . ?
C52A C51B C52B C53B -9.4(3) . . . . ?
C56B C51B C52B C53B 0.0 . . . . ?
Si5 C51B C52B C53B -179.6(5) . . . . ?
C56A C51B C52B C53B 90.0(3) . . . . ?
C52A C51B C52B C51A -97.9(6) . . . . ?
C56B C51B C52B C51A -88.5(5) . . . . ?
Si5 C51B C52B C51A 91.9(6) . . . . ?
C56A C51B C52B C51A 1.5(4) . . . . ?
C51A C51B C52B C52A 97.9(6) . . . . ?
C56B C51B C52B C52A 9.4(3) . . . . ?
Si5 C51B C52B C52A -170.2(6) . . . . ?
C56A C51B C52B C52A 99.5(4) . . . . ?
C51A C51B C52B C56A -1.5(4) . . . . ?
C52A C51B C52B C56A -99.5(4) . . . . ?
C56B C51B C52B C56A -90.0(3) . . . . ?
Si5 C51B C52B C56A 90.4(4) . . . . ?
C51B C51A C52B C53B -105.8(5) . . . . ?
C52A C51A C52B C53B -47.0(3) . . . . ?
C56A C51A C52B C53B 76.2(4) . . . . ?
C56B C51A C52B C53B -53.0(4) . . . . ?
Si5 C51A C52B C53B -160.1(3) . . . . ?
C52A C51A C52B C51B 58.8(5) . . . . ?
C56A C51A C52B C51B -178.0(5) . . . . ?
C56B C51A C52B C51B 52.8(4) . . . . ?
Si5 C51A C52B C51B -54.2(4) . . . . ?
C51B C51A C52B C52A -58.8(5) . . . . ?
C56A C51A C52B C52A 123.16(9) . . . . ?
C56B C51A C52B C52A -6.0(3) . . . . ?
Si5 C51A C52B C52A -113.1(2) . . . . ?
C51B C51A C52B C56A 178.0(5) . . . . ?
C52A C51A C52B C56A -123.16(9) . . . . ?
C56B C51A C52B C56A -129.2(3) . . . . ?
Si5 C51A C52B C56A 123.8(2) . . . . ?
C56B C52A C52B C53B 152.6(8) . . . . ?
C51B C52A C52B C53B 171.6(3) . . . . ?
C55B C52A C52B C53B 18.8(5) . . . . ?
C53A C52A C52B C53B 14.6(3) . . . . ?
C51A C52A C52B C53B 137.5(3) . . . . ?
C54B C52A C52B C53B 4.51(14) . . . . ?
C56B C52A C52B C51B -19.0(6) . . . . ?
C55B C52A C52B C51B -152.9(8) . . . . ?
C53A C52A C52B C51B -157.0(3) . . . . ?
C51A C52A C52B C51B -34.1(4) . . . . ?
C54B C52A C52B C51B -167.1(4) . . . . ?
C53B C52A C52B C51B -171.6(3) . . . . ?
C56B C52A C52B C51A 15.1(8) . . . . ?
C51B C52A C52B C51A 34.1(4) . . . . ?
C55B C52A C52B C51A -118.7(7) . . . . ?
C53A C52A C52B C51A -122.93(16) . . . . ?
C54B C52A C52B C51A -133.0(4) . . . . ?
C53B C52A C52B C51A -137.5(3) . . . . ?
C56B C52A C52B C56A 53.1(8) . . . . ?
C51B C52A C52B C56A 72.1(4) . . . . ?
C55B C52A C52B C56A -80.8(7) . . . . ?
C53A C52A C52B C56A -84.94(19) . . . . ?
C51A C52A C52B C56A 37.99(13) . . . . ?
C54B C52A C52B C56A -95.0(4) . . . . ?
C53B C52A C52B C56A -99.5(3) . . . . ?
C55A C56A C52B C53B 8.1(2) . . . . ?
C51A C56A C52B C53B -118.1(2) . . . . ?
C51B C56A C52B C53B -119.00(8) . . . . ?
C55A C56A C52B C51B 127.1(2) . . . . ?
C51A C56A C52B C51B 0.9(2) . . . . ?
C55A C56A C52B C51A 126.16(16) . . . . ?
C51B C56A C52B C51A -0.9(2) . . . . ?
C55A C56A C52B C52A 84.2(2) . . . . ?
C51A C56A C52B C52A -42.01(14) . . . . ?
C51B C56A C52B C52A -42.96(18) . . . . ?
C51B C52B C53B C54B 0.0 . . . . ?
C51A C52B C53B C54B 30.0(3) . . . . ?
C52A C52B C53B C54B -6.6(2) . . . . ?
C56A C52B C53B C54B 75.9(3) . . . . ?
C51B C52B C53B C53A -6.6(4) . . . . ?
C51A C52B C53B C53A 23.5(5) . . . . ?
C52A C52B C53B C53A -13.2(3) . . . . ?
C56A C52B C53B C53A 69.3(4) . . . . ?
C51B C52B C53B C54A -57.3(4) . . . . ?
C51A C52B C53B C54A -27.2(5) . . . . ?
C52A C52B C53B C54A -63.9(3) . . . . ?
C56A C52B C53B C54A 18.7(3) . . . . ?
C51B C52B C53B C52A 6.6(2) . . . . ?
C51A C52B C53B C52A 36.7(3) . . . . ?
C56A C52B C53B C52A 82.6(3) . . . . ?
C54B C53A C53B C52B 162.2(9) . . . . ?
C55B C53A C53B C52B 29.1(14) . . . . ?
C52A C53A C53B C52B 15.8(3) . . . . ?
C54A C53A C53B C52B -109.5(4) . . . . ?
C56B C53A C53B C52B 8.5(5) . . . . ?
C55B C53A C53B C54B -133(2) . . . . ?
C52A C53A C53B C54B -146.4(12) . . . . ?
C54A C53A C53B C54B 88.2(13) . . . . ?
C56B C53A C53B C54B -153.8(14) . . . . ?
C54B C53A C53B C54A -88.2(13) . . . . ?
C55B C53A C53B C54A 138.6(11) . . . . ?
C52A C53A C53B C54A 125.33(11) . . . . ?
C56B C53A C53B C54A 118.0(3) . . . . ?
C54B C53A C53B C52A 146.4(12) . . . . ?
C55B C53A C53B C52A 13.3(12) . . . . ?
C54A C53A C53B C52A -125.33(11) . . . . ?
C56B C53A C53B C52A -7.3(3) . . . . ?
C55A C54A C53B C52B -39.7(3) . . . . ?
C53A C54A C53B C52B 86.5(3) . . . . ?
C54B C54A C53B C52B 111.2(3) . . . . ?
C55A C54A C53B C54B -150.9(3) . . . . ?
C53A C54A C53B C54B -24.6(3) . . . . ?
C55A C54A C53B C53A -126.27(13) . . . . ?
C54B C54A C53B C53A 24.6(3) . . . . ?
C55A C54A C53B C52A -90.2(2) . . . . ?
C53A C54A C53B C52A 36.10(12) . . . . ?
C54B C54A C53B C52A 60.7(2) . . . . ?
C52A C53A C54B C55B -94(2) . . . . ?
C54A C53A C54B C55B 144.0(17) . . . . ?
C53B C53A C54B C55B -140.7(15) . . . . ?
C56B C53A C54B C55B -74(3) . . . . ?
C55B C53A C54B C53B 140.7(15) . . . . ?
C52A C53A C54B C53B 46.3(13) . . . . ?
C54A C53A C54B C53B -75.4(4) . . . . ?
C56B C53A C54B C53B 67(2) . . . . ?
C55B C53A C54B C54A -144.0(17) . . . . ?
C52A C53A C54B C54A 121.6(9) . . . . ?
C53B C53A C54B C54A 75.4(4) . . . . ?
C56B C53A C54B C54A 142.0(19) . . . . ?
C55B C53A C54B C52A 94(2) . . . . ?
C54A C53A C54B C52A -121.6(9) . . . . ?
C53B C53A C54B C52A -46.3(13) . . . . ?
C56B C53A C54B C52A 20.4(12) . . . . ?
C52B C53B C54B C53A -20.2(11) . . . . ?
C54A C53B C54B C53A 75.9(12) . . . . ?
C52A C53B C54B C53A -26.5(9) . . . . ?
C52B C53B C54B C55B 0.0 . . . . ?
C53A C53B C54B C55B 20.2(11) . . . . ?
C54A C53B C54B C55B 96.1(4) . . . . ?
C52A C53B C54B C55B -6.4(2) . . . . ?
C52B C53B C54B C54A -96.1(4) . . . . ?
C53A C53B C54B C54A -75.9(12) . . . . ?
C52A C53B C54B C54A -102.4(4) . . . . ?
C52B C53B C54B C52A 6.4(2) . . . . ?
C53A C53B C54B C52A 26.5(9) . . . . ?
C54A C53B C54B C52A 102.4(4) . . . . ?
C55A C54A C54B C53A -60.9(11) . . . . ?
C53B C54A C54B C53A -102.2(7) . . . . ?
C55A C54A C54B C55B -77.3(6) . . . . ?
C53A C54A C54B C55B -16.4(7) . . . . ?
C53B C54A C54B C55B -118.58(10) . . . . ?
C55A C54A C54B C53B 41.3(5) . . . . ?
C53A C54A C54B C53B 102.2(7) . . . . ?
C55A C54A C54B C52A -30.1(7) . . . . ?
C53A C54A C54B C52A 30.7(5) . . . . ?
C53B C54A C54B C52A -71.4(3) . . . . ?
C56B C52A C54B C53A -26.1(19) . . . . ?
C51B C52A C54B C53A 110.3(14) . . . . ?
C55B C52A C54B C53A -40.3(16) . . . . ?
C51A C52A C54B C53A 83.4(14) . . . . ?
C52B C52A C54B C53A 127.5(14) . . . . ?
C53B C52A C54B C53A 132.1(15) . . . . ?
C56B C52A C54B C55B 14.3(4) . . . . ?
C51B C52A C54B C55B 150.7(9) . . . . ?
C53A C52A C54B C55B 40.3(16) . . . . ?
C51A C52A C54B C55B 123.7(5) . . . . ?
C52B C52A C54B C55B 167.8(4) . . . . ?
C53B C52A C54B C55B 172.4(2) . . . . ?
C56B C52A C54B C53B -158.1(6) . . . . ?
C51B C52A C54B C53B -21.7(7) . . . . ?
C55B C52A C54B C53B -172.4(2) . . . . ?
C53A C52A C54B C53B -132.1(15) . . . . ?
C51A C52A C54B C53B -48.7(4) . . . . ?
C52B C52A C54B C53B -4.57(14) . . . . ?
C56B C52A C54B C54A -83.5(9) . . . . ?
C51B C52A C54B C54A 52.9(9) . . . . ?
C55B C52A C54B C54A -97.8(5) . . . . ?
C53A C52A C54B C54A -57.4(13) . . . . ?
C51A C52A C54B C54A 26.0(6) . . . . ?
C52B C52A C54B C54A 70.0(5) . . . . ?
C53B C52A C54B C54A 74.6(5) . . . . ?
C54B C53A C55B C52A -122.8(18) . . . . ?
C54A C53A C55B C52A 108.0(4) . . . . ?
C53B C53A C55B C52A -14.7(13) . . . . ?
C56B C53A C55B C52A 15.6(3) . . . . ?
C54B C53A C55B C56B -138.4(16) . . . . ?
C52A C53A C55B C56B -15.6(3) . . . . ?
C54A C53A C55B C56B 92.3(5) . . . . ?
C53B C53A C55B C56B -30.3(15) . . . . ?
C52A C53A C55B C54B 122.8(18) . . . . ?
C54A C53A C55B C54B -129(2) . . . . ?
C53B C53A C55B C54B 108(3) . . . . ?
C56B C53A C55B C54B 138.4(16) . . . . ?
C56B C52A C55B C53A -156.0(4) . . . . ?
C51B C52A C55B C53A -119.8(11) . . . . ?
C51A C52A C55B C53A -87.6(6) . . . . ?
C52B C52A C55B C53A -6.2(10) . . . . ?
C54B C52A C55B C53A 12.2(6) . . . . ?
C53B C52A C55B C53A 7.0(7) . . . . ?
C51B C52A C55B C56B 36.2(10) . . . . ?
C53A C52A C55B C56B 156.0(4) . . . . ?
C51A C52A C55B C56B 68.4(5) . . . . ?
C52B C52A C55B C56B 149.8(9) . . . . ?
C54B C52A C55B C56B 168.2(4) . . . . ?
C53B C52A C55B C56B 162.9(5) . . . . ?
C56B C52A C55B C54B -168.2(4) . . . . ?
C51B C52A C55B C54B -132.0(13) . . . . ?
C53A C52A C55B C54B -12.2(6) . . . . ?
C51A C52A C55B C54B -99.8(5) . . . . ?
C52B C52A C55B C54B -18.5(5) . . . . ?
C53B C52A C55B C54B -5.30(16) . . . . ?
C53B C54B C55B C53A -46.3(18) . . . . ?
C54A C54B C55B C53A 36.0(19) . . . . ?
C52A C54B C55B C53A -54.7(17) . . . . ?
C53A C54B C55B C52A 54.7(17) . . . . ?
C53B C54B C55B C52A 8.4(3) . . . . ?
C54A C54B C55B C52A 90.7(5) . . . . ?
C53A C54B C55B C56B 46.3(18) . . . . ?
C53B C54B C55B C56B 0.0 . . . . ?
C54A C54B C55B C56B 82.2(4) . . . . ?
C52A C54B C55B C56B -8.4(3) . . . . ?
C51B C52A C56B C55B -166.0(4) . . . . ?
C53A C52A C56B C55B -17.5(3) . . . . ?
C51A C52A C56B C55B -138.2(4) . . . . ?
C52B C52A C56B C55B -150.4(9) . . . . ?
C54B C52A C56B C55B -11.4(3) . . . . ?
C53B C52A C56B C55B -64.3(14) . . . . ?
C55B C52A C56B C51B 166.0(4) . . . . ?
C53A C52A C56B C51B 148.5(4) . . . . ?
C51A C52A C56B C51B 27.7(3) . . . . ?
C52B C52A C56B C51B 15.6(5) . . . . ?
C54B C52A C56B C51B 154.6(7) . . . . ?
C53B C52A C56B C51B 101.7(15) . . . . ?
C51B C52A C56B C51A -27.7(3) . . . . ?
C55B C52A C56B C51A 138.2(4) . . . . ?
C53A C52A C56B C51A 120.7(2) . . . . ?
C52B C52A C56B C51A -12.2(7) . . . . ?
C54B C52A C56B C51A 126.8(6) . . . . ?
C53B C52A C56B C51A 74.0(15) . . . . ?
C51B C52A C56B C53A -148.5(4) . . . . ?
C55B C52A C56B C53A 17.5(3) . . . . ?
C51A C52A C56B C53A -120.7(2) . . . . ?
C52B C52A C56B C53A -132.9(8) . . . . ?
C54B C52A C56B C53A 6.1(5) . . . . ?
C53B C52A C56B C53A -46.8(13) . . . . ?
C53A C55B C56B C52A 24.6(4) . . . . ?
C54B C55B C56B C52A 13.5(4) . . . . ?
C53A C55B C56B C51B 11.0(6) . . . . ?
C52A C55B C56B C51B -13.5(4) . . . . ?
C54B C55B C56B C51B 0.0 . . . . ?
C53A C55B C56B C51A -14.7(7) . . . . ?
C52A C55B C56B C51A -39.2(4) . . . . ?
C54B C55B C56B C51A -25.7(3) . . . . ?
C52A C55B C56B C53A -24.6(5) . . . . ?
C54B C55B C56B C53A -11.0(6) . . . . ?
C51A C51B C56B C52A -93.4(7) . . . . ?
C52B C51B C56B C52A -14.7(5) . . . . ?
Si5 C51B C56B C52A 164.9(7) . . . . ?
C56A C51B C56B C52A -82.4(5) . . . . ?
C51A C51B C56B C55B -78.7(5) . . . . ?
C52A C51B C56B C55B 14.7(5) . . . . ?
C52B C51B C56B C55B 0.0 . . . . ?
Si5 C51B C56B C55B 179.6(5) . . . . ?
C56A C51B C56B C55B -67.7(3) . . . . ?
C52A C51B C56B C51A 93.4(7) . . . . ?
C52B C51B C56B C51A 78.7(5) . . . . ?
Si5 C51B C56B C51A -101.7(6) . . . . ?
C56A C51B C56B C51A 11.1(3) . . . . ?
C51A C51B C56B C53A -73.5(5) . . . . ?
C52A C51B C56B C53A 19.9(3) . . . . ?
C52B C51B C56B C53A 5.2(3) . . . . ?
Si5 C51B C56B C53A -175.2(4) . . . . ?
C56A C51B C56B C53A -62.5(3) . . . . ?
C51B C51A C56B C52A 72.0(6) . . . . ?
C56A C51A C56B C52A -87.7(5) . . . . ?
C52B C51A C56B C52A 10.3(6) . . . . ?
Si5 C51A C56B C52A 123.6(4) . . . . ?
C51B C51A C56B C55B 112.9(4) . . . . ?
C52A C51A C56B C55B 40.9(4) . . . . ?
C56A C51A C56B C55B -46.8(4) . . . . ?
C52B C51A C56B C55B 51.2(4) . . . . ?
Si5 C51A C56B C55B 164.5(3) . . . . ?
C52A C51A C56B C51B -72.0(6) . . . . ?
C56A C51A C56B C51B -159.7(6) . . . . ?
C52B C51A C56B C51B -61.7(5) . . . . ?
Si5 C51A C56B C51B 51.6(4) . . . . ?
C51B C51A C56B C53A 106.0(5) . . . . ?
C52A C51A C56B C53A 34.1(2) . . . . ?
C56A C51A C56B C53A -53.6(4) . . . . ?
C52B C51A C56B C53A 44.3(4) . . . . ?
Si5 C51A C56B C53A 157.7(3) . . . . ?
O5 Si6 C61 C62 -68.36(15) . . . . ?
O4 Si6 C61 C62 171.19(14) . . . . ?
O9 Si6 C61 C62 49.46(16) . . . . ?
O5 Si6 C61 C66 109.57(16) . . . . ?
O4 Si6 C61 C66 -10.88(18) . . . . ?
O9 Si6 C61 C66 -132.61(16) . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
Si6 C61 C62 C63 177.97(16) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
Si6 C61 C66 C65 -177.89(16) . . . . ?
O5 Si7 C71 C76 15(2) . . . . ?
O8 Si7 C71 C76 -101(2) . . . . ?
O6 Si7 C71 C76 135.4(19) . . . . ?
O5 Si7 C71 C72 -168.2(19) . . . . ?
O8 Si7 C71 C72 75(2) . . . . ?
O6 Si7 C71 C72 -48(2) . . . . ?
C76 C71 C72 C73 -6(3) . . . . ?
Si7 C71 C72 C73 177.5(14) . . . . ?
C71 C72 C73 C74 2(2) . . . . ?
C72 C73 C74 C75 1(2) . . . . ?
C73 C74 C75 C76 0(2) . . . . ?
C74 C75 C76 C71 -5(3) . . . . ?
C72 C71 C76 C75 8(3) . . . . ?
Si7 C71 C76 C75 -175.7(16) . . . . ?
O5 Si7 C71A C76A 16(3) . . . . ?
O8 Si7 C71A C76A -105(2) . . . . ?
O6 Si7 C71A C76A 137(2) . . . . ?
O5 Si7 C71A C72A -155(2) . . . . ?
O8 Si7 C71A C72A 84(2) . . . . ?
O6 Si7 C71A C72A -34(3) . . . . ?
C76A C71A C72A C73A 3(4) . . . . ?
Si7 C71A C72A C73A 174.2(18) . . . . ?
C71A C72A C73A C74A 4(3) . . . . ?
C72A C73A C74A C75A -8(3) . . . . ?
C73A C74A C75A C76A 4(3) . . . . ?
C72A C71A C76A C75A -7(4) . . . . ?
Si7 C71A C76A C75A -178.5(18) . . . . ?
C74A C75A C76A C71A 4(3) . . . . ?
O12 Si8A C81A C82A 94.5(4) . . . . ?
O8 Si8A C81A C82A -32.5(4) . . . . ?
O13 Si8A C81A C82A -147.9(4) . . . . ?
Si10 Si8A C81A C82A 103.7(4) . . . . ?
O12 Si8A C81A C86A -86.1(5) . . . . ?
O8 Si8A C81A C86A 146.9(3) . . . . ?
O13 Si8A C81A C86A 31.5(4) . . . . ?
Si10 Si8A C81A C86A -76.8(4) . . . . ?
C86A C81A C82A C83A 0.0 . . . . ?
Si8A C81A C82A C83A 179.5(4) . . . . ?
C81A C82A C83A C84A 0.0 . . . . ?
C82A C83A C84A C85A 0.0 . . . . ?
C83A C84A C85A C86A 0.0 . . . . ?
C83A C84A C85A C85A -153.4(15) . . . 2_565 ?
C84A C85A C86A C81A 0.0 . . . . ?
C85A C85A C86A C81A 166.8(8) 2_565 . . . ?
C82A C81A C86A C85A 0.0 . . . . ?
Si8A C81A C86A C85A -179.4(4) . . . . ?
C86B C81B C82B C83B 0.0 . . . . ?
Si8B C81B C82B C83B -179.7(9) . . . . ?
C81B C82B C83B C84B 0.0 . . . . ?
C82B C83B C84B C85B 0.0 . . . . ?
C83B C84B C85B C86B 0.0 . . . . ?
C84B C85B C86B C81B 0.0 . . . . ?
C82B C81B C86B C85B 0.0 . . . . ?
Si8B C81B C86B C85B 179.7(9) . . . . ?
O8 Si8C C81C C82C 33.3(5) . . . . ?
O8 Si8C C81C C86C -154.1(4) . . . . ?
C86C C81C C82C C83C 0.0 . . . . ?
Si8C C81C C82C C83C 172.5(5) . . . . ?
C81C C82C C83C C84C 0.0 . . . . ?
C82C C83C C84C C85C 0.0 . . . . ?
C83C C84C C85C C86C 0.0 . . . . ?
C84C C85C C86C C81C 0.0 . . . . ?
C82C C81C C86C C85C 0.0 . . . . ?
Si8C C81C C86C C85C -172.7(5) . . . . ?
O13 Si9 C91A C92A -53.1(4) . . . . ?
O10 Si9 C91A C92A 63.2(3) . . . . ?
O9 Si9 C91A C92A -177.8(3) . . . . ?
O13 Si9 C91A C96A 134.0(3) . . . . ?
O10 Si9 C91A C96A -109.7(3) . . . . ?
O9 Si9 C91A C96A 9.3(3) . . . . ?
C96A C91A C92A C93A 0.0 . . . . ?
Si9 C91A C92A C93A -173.2(4) . . . . ?
C91A C92A C93A C94A 0.0 . . . . ?
C92A C93A C94A C95A 0.0 . . . . ?
C93A C94A C95A C96A 0.0 . . . . ?
C94A C95A C96A C91A 0.0 . . . . ?
C92A C91A C96A C95A 0.0 . . . . ?
Si9 C91A C96A C95A 172.7(4) . . . . ?
C96B C91B C92B C93B 0.0 . . . . ?
Si9 C91B C92B C93B -173.1(5) . . . . ?
C91B C92B C93B C94B 0.0 . . . . ?
C92B C93B C94B C95B 0.0 . . . . ?
C93B C94B C95B C96B 0.0 . . . . ?
C94B C95B C96B C91B 0.0 . . . . ?
C92B C91B C96B C95B 0.0 . . . . ?
Si9 C91B C96B C95B 173.3(4) . . . . ?
Si10 Si1A C10A C15B 9(3) . . . . ?
O12 Si1A C10A C15B 42(3) . . . . ?
C10B Si1A C10A C15B 173(6) . . . . ?
C400 Si1A C10A C15B 161(3) . . . . ?
C10D Si1A C10A C15B -76(3) . . . . ?
Si10 Si1A C10A C11A -163.4(6) . . . . ?
O12 Si1A C10A C11A -130.1(4) . . . . ?
C10B Si1A C10A C11A 1(4) . . . . ?
C400 Si1A C10A C11A -11.4(5) . . . . ?
C10D Si1A C10A C11A 111.4(4) . . . . ?
Si10 Si1A C10A C15A 19.6(6) . . . . ?
O12 Si1A C10A C15A 52.9(4) . . . . ?
C10B Si1A C10A C15A -177(4) . . . . ?
C400 Si1A C10A C15A 171.6(4) . . . . ?
C10D Si1A C10A C15A -65.7(4) . . . . ?
Si10 Si1A C10A C11B -170.3(10) . . . . ?
O12 Si1A C10A C11B -136.9(9) . . . . ?
C10B Si1A C10A C11B -6(3) . . . . ?
C400 Si1A C10A C11B -18.2(10) . . . . ?
C10D Si1A C10A C11B 104.5(9) . . . . ?
O12 Si1A C10A Si10 33.4(5) . . . . ?
C10B Si1A C10A Si10 164(4) . . . . ?
C400 Si1A C10A Si10 152.0(6) . . . . ?
C10D Si1A C10A Si10 -85.2(5) . . . . ?
C15B C10A C11A C11B 168(3) . . . . ?
C15A C10A C11A C11B 161(2) . . . . ?
Si1A C10A C11A C11B -16(2) . . . . ?
Si10 C10A C11A C11B -24(2) . . . . ?
C15B C10A C11A C10B -176(5) . . . . ?
C15A C10A C11A C10B 177(4) . . . . ?
C11B C10A C11A C10B 16(3) . . . . ?
Si1A C10A C11A C10B -1(4) . . . . ?
Si10 C10A C11A C10B -9(4) . . . . ?
C15B C10A C11A C12B 55(3) . . . . ?
C15A C10A C11A C12B 48(3) . . . . ?
C11B C10A C11A C12B -113(4) . . . . ?
Si1A C10A C11A C12B -129(3) . . . . ?
Si10 C10A C11A C12B -137(3) . . . . ?
C15B C10A C11A C12A 7.3(15) . . . . ?
C15A C10A C11A C12A 0.0 . . . . ?
C11B C10A C11A C12A -161(2) . . . . ?
Si1A C10A C11A C12A -177.1(4) . . . . ?
Si10 C10A C11A C12A 174.8(6) . . . . ?
C15A C10A C11A C15B -7.3(15) . . . . ?
C11B C10A C11A C15B -168(3) . . . . ?
Si1A C10A C11A C15B 175.6(18) . . . . ?
Si10 C10A C11A C15B 167.5(19) . . . . ?
C15B C10A C11A C13B 13.8(18) . . . . ?
C15A C10A C11A C13B 6.5(9) . . . . ?
C11B C10A C11A C13B -154(2) . . . . ?
Si1A C10A C11A C13B -170.6(8) . . . . ?
Si10 C10A C11A C13B -178.7(8) . . . . ?
C15B C10A C11A C14B 6.1(12) . . . . ?
C15A C10A C11A C14B -1.1(7) . . . . ?
C11B C10A C11A C14B -162(2) . . . . ?
Si1A C10A C11A C14B -178.3(8) . . . . ?
Si10 C10A C11A C14B 173.6(9) . . . . ?
C11B C11A C12A C12B 3.8(19) . . . . ?
C10B C11A C12A C12B 157(3) . . . . ?
C10A C11A C12A C12B 159.1(18) . . . . ?
C15B C11A C12A C12B 163.0(18) . . . . ?
C13B C11A C12A C12B 105(6) . . . . ?
C14B C11A C12A C12B 161(2) . . . . ?
C11B C11A C12A C13A -155(3) . . . . ?
C10B C11A C12A C13A -2(2) . . . . ?
C12B C11A C12A C13A -159.1(18) . . . . ?
C10A C11A C12A C13A 0.0 . . . . ?
C15B C11A C12A C13A 3.9(8) . . . . ?
C13B C11A C12A C13A -54(5) . . . . ?
C14B C11A C12A C13A 1.5(9) . . . . ?
C11B C11A C12A C14B -157(3) . . . . ?
C10B C11A C12A C14B -3(2) . . . . ?
C12B C11A C12A C14B -161(2) . . . . ?
C10A C11A C12A C14B -1.5(9) . . . . ?
C15B C11A C12A C14B 2.3(8) . . . . ?
C13B C11A C12A C14B -56(5) . . . . ?
C10B C11A C12A C11B 154(4) . . . . ?
C12B C11A C12A C11B -3.8(19) . . . . ?
C10A C11A C12A C11B 155(3) . . . . ?
C15B C11A C12A C11B 159(3) . . . . ?
C13B C11A C12A C11B 101(6) . . . . ?
C14B C11A C12A C11B 157(3) . . . . ?
C12B C12A C13A C14B -85(4) . . . . ?
C11A C12A C13A C14B -3.1(19) . . . . ?
C11B C12A C13A C14B -13(2) . . . . ?
C12B C12A C13A C13B 66(5) . . . . ?
C11A C12A C13A C13B 147(4) . . . . ?
C14B C12A C13A C13B 150(5) . . . . ?
C11B C12A C13A C13B 137(4) . . . . ?
C12B C12A C13A C14A -81(3) . . . . ?
C11A C12A C13A C14A 0.0 . . . . ?
C14B C12A C13A C14A 3.1(19) . . . . ?
C11B C12A C13A C14A -10.2(12) . . . . ?
C13B C13A C14A C14B -18(2) . . . . ?
C12A C13A C14A C14B -5(3) . . . . ?
C14B C13A C14A C15A 5(3) . . . . ?
C13B C13A C14A C15A -13.3(19) . . . . ?
C12A C13A C14A C15A 0.0 . . . . ?
C14B C13A C14A C15B 0(2) . . . . ?
C13B C13A C14A C15B -18(2) . . . . ?
C12A C13A C14A C15B -4.6(10) . . . . ?
C14B C14A C15A C15B -8.3(17) . . . . ?
C13A C14A C15A C15B -11(2) . . . . ?
C14B C14A C15A C10A 2.3(14) . . . . ?
C13A C14A C15A C10A 0.0 . . . . ?
C15B C14A C15A C10A 11(2) . . . . ?
C13A C14A C15A C14B -2.3(14) . . . . ?
C15B C14A C15A C14B 8.3(17) . . . . ?
C14B C14A C15A C10B 3.1(16) . . . . ?
C13A C14A C15A C10B 0.8(10) . . . . ?
C15B C14A C15A C10B 11.4(16) . . . . ?
C11A C10A C15A C15B 18(4) . . . . ?
C11B C10A C15A C15B 31(4) . . . . ?
Si1A C10A C15A C15B -165(4) . . . . ?
Si10 C10A C15A C15B -158(4) . . . . ?
C15B C10A C15A C14A -18(4) . . . . ?
C11A C10A C15A C14A 0.0 . . . . ?
C11B C10A C15A C14A 13.5(15) . . . . ?
Si1A C10A C15A C14A 176.9(5) . . . . ?
Si10 C10A C15A C14A -176.3(4) . . . . ?
C15B C10A C15A C14B -17(3) . . . . ?
C11A C10A C15A C14B 1.3(8) . . . . ?
C11B C10A C15A C14B 14.8(18) . . . . ?
Si1A C10A C15A C14B 178.2(9) . . . . ?
Si10 C10A C15A C14B -175.0(9) . . . . ?
C15B C10A C15A C10B -53(33) . . . . ?
C11A C10A C15A C10B -35(35) . . . . ?
C11B C10A C15A C10B -21(34) . . . . ?
Si1A C10A C15A C10B 142(35) . . . . ?
Si10 C10A C15A C10B 149(35) . . . . ?
C12B C11A C10B C11B -55(4) . . . . ?
C12A C11A C10B C11B -160(3) . . . . ?
C10A C11A C10B C11B -165(3) . . . . ?
C15B C11A C10B C11B -167.5(15) . . . . ?
C13B C11A C10B C11B -152(3) . . . . ?
C14B C11A C10B C11B -163(2) . . . . ?
C11B C11A C10B C15B 167.5(15) . . . . ?
C12B C11A C10B C15B 113(5) . . . . ?
C12A C11A C10B C15B 7(2) . . . . ?
C10A C11A C10B C15B 3(4) . . . . ?
C13B C11A C10B C15B 15.2(18) . . . . ?
C14B C11A C10B C15B 4.8(6) . . . . ?
C11B C11A C10B Si1A -16(5) . . . . ?
C12B C11A C10B Si1A -71(7) . . . . ?
C12A C11A C10B Si1A -177(2) . . . . ?
C10A C11A C10B Si1A 179(8) . . . . ?
C15B C11A C10B Si1A 176(4) . . . . ?
C13B C11A C10B Si1A -168(3) . . . . ?
C14B C11A C10B Si1A -179(4) . . . . ?
C11B C11A C10B C15A 162.6(15) . . . . ?
C12B C11A C10B C15A 108(5) . . . . ?
C12A C11A C10B C15A 2(3) . . . . ?
C10A C11A C10B C15A -2(3) . . . . ?
C15B C11A C10B C15A -4.9(11) . . . . ?
C13B C11A C10B C15A 10(3) . . . . ?
C14B C11A C10B C15A -0.1(15) . . . . ?
C11B C11A C10B Si10 -46(10) . . . . ?
C12B C11A C10B Si10 -101(11) . . . . ?
C12A C11A C10B Si10 154(7) . . . . ?
C10A C11A C10B Si10 149(12) . . . . ?
C15B C11A C10B Si10 147(9) . . . . ?
C13B C11A C10B Si10 162(8) . . . . ?
C14B C11A C10B Si10 151(9) . . . . ?
Si10 Si1A C10B C11A -163(4) . . . . ?
O12 Si1A C10B C11A -126(4) . . . . ?
C400 Si1A C10B C11A -10(4) . . . . ?
C10D Si1A C10B C11A 105(4) . . . . ?
C10A Si1A C10B C11A -179(8) . . . . ?
Si10 Si1A C10B C11B -172.8(10) . . . . ?
O12 Si1A C10B C11B -136.2(9) . . . . ?
C400 Si1A C10B C11B -19.9(12) . . . . ?
C10D Si1A C10B C11B 95.3(11) . . . . ?
C10A Si1A C10B C11B 171(4) . . . . ?
Si10 Si1A C10B C15B 12.9(13) . . . . ?
O12 Si1A C10B C15B 49.6(13) . . . . ?
C400 Si1A C10B C15B 165.9(10) . . . . ?
C10D Si1A C10B C15B -79.0(13) . . . . ?
C10A Si1A C10B C15B -3(3) . . . . ?
Si10 Si1A C10B C15A 18.5(13) . . . . ?
O12 Si1A C10B C15A 55.2(13) . . . . ?
C400 Si1A C10B C15A 171.5(10) . . . . ?
C10D Si1A C10B C15A -73.4(13) . . . . ?
C10A Si1A C10B C15A 2(3) . . . . ?
O12 Si1A C10B Si10 36.7(5) . . . . ?
C400 Si1A C10B Si10 153.0(6) . . . . ?
C10D Si1A C10B Si10 -91.9(6) . . . . ?
C10A Si1A C10B Si10 -16(4) . . . . ?
C15B C15A C10B C11A 18(4) . . . . ?
C14A C15A C10B C11A -2(2) . . . . ?
C10A C15A C10B C11A 144(37) . . . . ?
C14B C15A C10B C11A 0.1(17) . . . . ?
C15B C15A C10B C11B 32(4) . . . . ?
C14A C15A C10B C11B 12(2) . . . . ?
C10A C15A C10B C11B 157(36) . . . . ?
C14B C15A C10B C11B 14(2) . . . . ?
C14A C15A C10B C15B -20(3) . . . . ?
C10A C15A C10B C15B 126(34) . . . . ?
C14B C15A C10B C15B -18(2) . . . . ?
C15B C15A C10B Si1A -163(2) . . . . ?
C14A C15A C10B Si1A 177.7(5) . . . . ?
C10A C15A C10B Si1A -37(34) . . . . ?
C14B C15A C10B Si1A 179.4(12) . . . . ?
C15B C15A C10B Si10 -156(3) . . . . ?
C14A C15A C10B Si10 -176.0(3) . . . . ?
C10A C15A C10B Si10 -30(35) . . . . ?
C14B C15A C10B Si10 -174.3(9) . . . . ?
C10B C11A C11B C12B -165.9(17) . . . . ?
C12A C11A C11B C12B -2.8(14) . . . . ?
C10A C11A C11B C12B -160.8(16) . . . . ?
C15B C11A C11B C12B -152(3) . . . . ?
C13B C11A C11B C12B -12.4(13) . . . . ?
C14B C11A C11B C12B -74(5) . . . . ?
C12B C11A C11B C10B 165.9(17) . . . . ?
C12A C11A C11B C10B 163(3) . . . . ?
C10A C11A C11B C10B 5.1(10) . . . . ?
C15B C11A C11B C10B 14.3(17) . . . . ?
C13B C11A C11B C10B 154(3) . . . . ?
C14B C11A C11B C10B 92(5) . . . . ?
C10B C11A C11B C10A -5.1(10) . . . . ?
C12B C11A C11B C10A 160.8(16) . . . . ?
C12A C11A C11B C10A 158(2) . . . . ?
C15B C11A C11B C10A 9(2) . . . . ?
C13B C11A C11B C10A 148(3) . . . . ?
C14B C11A C11B C10A 87(5) . . . . ?
C10B C11A C11B C12A -163(3) . . . . ?
C12B C11A C11B C12A 2.8(14) . . . . ?
C10A C11A C11B C12A -158(2) . . . . ?
C15B C11A C11B C12A -149(4) . . . . ?
C13B C11A C11B C12A -9.6(11) . . . . ?
C14B C11A C11B C12A -71(5) . . . . ?
C15B C10B C11B C11A -14.4(18) . . . . ?
Si1A C10B C11B C11A 171(3) . . . . ?
C15A C10B C11B C11A -24(2) . . . . ?
Si10 C10B C11B C11A 168(3) . . . . ?
C11A C10B C11B C12B 14.4(18) . . . . ?
C15B C10B C11B C12B 0.0 . . . . ?
Si1A C10B C11B C12B -174.4(16) . . . . ?
C15A C10B C11B C12B -9.5(14) . . . . ?
Si10 C10B C11B C12B -178.0(19) . . . . ?
C11A C10B C11B C10A 22(4) . . . . ?
C15B C10B C11B C10A 7(5) . . . . ?
Si1A C10B C11B C10A -167(6) . . . . ?
C15A C10B C11B C10A -2(4) . . . . ?
Si10 C10B C11B C10A -171(7) . . . . ?
C11A C10B C11B C12A 8.8(15) . . . . ?
C15B C10B C11B C12A -5.6(7) . . . . ?
Si1A C10B C11B C12A 179.9(15) . . . . ?
C15A C10B C11B C12A -15.2(16) . . . . ?
Si10 C10B C11B C12A 176.3(18) . . . . ?
C15B C10A C11B C11A -14(3) . . . . ?
C15A C10A C11B C11A -28(3) . . . . ?
Si1A C10A C11B C11A 165.6(18) . . . . ?
Si10 C10A C11B C11A 162.0(15) . . . . ?
C15B C10A C11B C12B 4(3) . . . . ?
C11A C10A C11B C12B 18.1(16) . . . . ?
C15A C10A C11B C12B -10(2) . . . . ?
Si1A C10A C11B C12B -176.3(8) . . . . ?
Si10 C10A C11B C12B -179.9(7) . . . . ?
C15B C10A C11B C10B -169(7) . . . . ?
C11A C10A C11B C10B -155(5) . . . . ?
C15A C10A C11B C10B 177(6) . . . . ?
Si1A C10A C11B C10B 10(5) . . . . ?
Si10 C10A C11B C10B 7(5) . . . . ?
C15B C10A C11B C12A -2(2) . . . . ?
C11A C10A C11B C12A 11.6(13) . . . . ?
C15A C10A C11B C12A -16.7(18) . . . . ?
Si1A C10A C11B C12A 177.2(5) . . . . ?
Si10 C10A C11B C12A 173.6(4) . . . . ?
C13A C12A C12B C11A 92(3) . . . . ?
C14B C12A C12B C11A 35(3) . . . . ?
C11B C12A C12B C11A 1.7(8) . . . . ?
C11A C12A C12B C11B -1.7(9) . . . . ?
C13A C12A C12B C11B 90(3) . . . . ?
C14B C12A C12B C11B 33(4) . . . . ?
C11A C12A C12B C13B -145(3) . . . . ?
C13A C12A C12B C13B -53(5) . . . . ?
C14B C12A C12B C13B -110(6) . . . . ?
C11B C12A C12B C13B -144(3) . . . . ?
C11B C11A C12B C12A -177.1(14) . . . . ?
C10B C11A C12B C12A -122(5) . . . . ?
C10A C11A C12B C12A -61(3) . . . . ?
C15B C11A C12B C12A -24(2) . . . . ?
C13B C11A C12B C12A -9.2(12) . . . . ?
C14B C11A C12B C12A -13.8(15) . . . . ?
C10B C11A C12B C11B 55(4) . . . . ?
C12A C11A C12B C11B 177.1(14) . . . . ?
C10A C11A C12B C11B 117(4) . . . . ?
C15B C11A C12B C11B 153(3) . . . . ?
C13B C11A C12B C11B 168.0(14) . . . . ?
C14B C11A C12B C11B 163(2) . . . . ?
C11B C11A C12B C13B -168.0(14) . . . . ?
C10B C11A C12B C13B -113(5) . . . . ?
C12A C11A C12B C13B 9.2(12) . . . . ?
C10A C11A C12B C13B -51(3) . . . . ?
C15B C11A C12B C13B -14.5(17) . . . . ?
C14B C11A C12B C13B -4.6(5) . . . . ?
C11A C11B C12B C12A 2.9(14) . . . . ?
C10B C11B C12B C12A -11.0(13) . . . . ?
C10A C11B C12B C12A -12.5(17) . . . . ?
C10B C11B C12B C11A -13.9(16) . . . . ?
C10A C11B C12B C11A -15.3(13) . . . . ?
C12A C11B C12B C11A -2.9(14) . . . . ?
C11A C11B C12B C13B 13.9(17) . . . . ?
C10B C11B C12B C13B 0.0 . . . . ?
C10A C11B C12B C13B -1.4(9) . . . . ?
C12A C11B C12B C13B 11.0(13) . . . . ?
C14B C13A C13B C12B 3(5) . . . . ?
C14A C13A C13B C12B 14(5) . . . . ?
C12A C13A C13B C12B -26.7(19) . . . . ?
C14A C13A C13B C14B 11.6(14) . . . . ?
C12A C13A C13B C14B -29(5) . . . . ?
C14B C13A C13B C11A 7(3) . . . . ?
C14A C13A C13B C11A 19(3) . . . . ?
C12A C13A C13B C11A -22(3) . . . . ?
C12A C12B C13B C13A 39(3) . . . . ?
C11A C12B C13B C13A 6(3) . . . . ?
C11B C12B C13B C13A -2(3) . . . . ?
C12A C12B C13B C14B 41(4) . . . . ?
C11A C12B C13B C14B 7.7(9) . . . . ?
C11B C12B C13B C14B 0.0 . . . . ?
C12A C12B C13B C11A 33(3) . . . . ?
C11B C12B C13B C11A -7.7(9) . . . . ?
C11B C11A C13B C13A -161(3) . . . . ?
C10B C11A C13B C13A -19(3) . . . . ?
C12B C11A C13B C13A -176.9(16) . . . . ?
C12A C11A C13B C13A 114(6) . . . . ?
C10A C11A C13B C13A -15(2) . . . . ?
C15B C11A C13B C13A -7.5(18) . . . . ?
C14B C11A C13B C13A -3.8(16) . . . . ?
C11B C11A C13B C12B 16.2(18) . . . . ?
C10B C11A C13B C12B 158(3) . . . . ?
C12A C11A C13B C12B -69(6) . . . . ?
C10A C11A C13B C12B 162.1(14) . . . . ?
C15B C11A C13B C12B 169.4(13) . . . . ?
C14B C11A C13B C12B 173.1(8) . . . . ?
C11B C11A C13B C14B -157(3) . . . . ?
C10B C11A C13B C14B -15.6(19) . . . . ?
C12B C11A C13B C14B -173.1(8) . . . . ?
C12A C11A C13B C14B 118(5) . . . . ?
C10A C11A C13B C14B -11.0(10) . . . . ?
C15B C11A C13B C14B -3.7(5) . . . . ?
C13B C13A C14B C14A 167.1(15) . . . . ?
C12A C13A C14B C14A 176(2) . . . . ?
C14A C13A C14B C13B -167.1(15) . . . . ?
C12A C13A C14B C13B 8.7(17) . . . . ?
C13B C13A C14B C12A -8.7(17) . . . . ?
C14A C13A C14B C12A -176(2) . . . . ?
C13B C13A C14B C15A 154(8) . . . . ?
C14A C13A C14B C15A -13(7) . . . . ?
C12A C13A C14B C15A 163(10) . . . . ?
C13B C13A C14B C11A -7(3) . . . . ?
C14A C13A C14B C11A -174(4) . . . . ?
C12A C13A C14B C11A 2.0(12) . . . . ?
C15A C14A C14B C13A -176(2) . . . . ?
C15B C14A C14B C13A -180(3) . . . . ?
C13A C14A C14B C15B 180(3) . . . . ?
C15A C14A C14B C15B 4.0(8) . . . . ?
C13A C14A C14B C13B 33(3) . . . . ?
C15A C14A C14B C13B -143(5) . . . . ?
C15B C14A C14B C13B -147(5) . . . . ?
C13A C14A C14B C15A 176(2) . . . . ?
C15B C14A C14B C15A -4.0(8) . . . . ?
C13A C14A C14B C11A 172(5) . . . . ?
C15A C14A C14B C11A -4(2) . . . . ?
C15B C14A C14B C11A -8(2) . . . . ?
C12B C13B C14B C13A -178(3) . . . . ?
C11A C13B C14B C13A -173(3) . . . . ?
C13A C13B C14B C14A -39(4) . . . . ?
C12B C13B C14B C14A 142(5) . . . . ?
C11A C13B C14B C14A 148(5) . . . . ?
C13A C13B C14B C15B 178(3) . . . . ?
C12B C13B C14B C15B 0.0 . . . . ?
C11A C13B C14B C15B 5.4(7) . . . . ?
C13A C13B C14B C12A 154(5) . . . . ?
C12B C13B C14B C12A -25(2) . . . . ?
C11A C13B C14B C12A -19(2) . . . . ?
C13A C13B C14B C15A -170(4) . . . . ?
C12B C13B C14B C15A 11.6(16) . . . . ?
C11A C13B C14B C15A 17.0(16) . . . . ?
C13A C13B C14B C11A 173(3) . . . . ?
C12B C13B C14B C11A -5.4(7) . . . . ?
C12B C12A C14B C13A 148(3) . . . . ?
C11A C12A C14B C13A 177.3(16) . . . . ?
C11B C12A C14B C13A 170.3(17) . . . . ?
C12B C12A C14B C15B -32(4) . . . . ?
C11A C12A C14B C15B -3.1(10) . . . . ?
C13A C12A C14B C15B 180(2) . . . . ?
C11B C12A C14B C15B -10.1(12) . . . . ?
C12B C12A C14B C13B 126(5) . . . . ?
C11A C12A C14B C13B 155(3) . . . . ?
C13A C12A C14B C13B -22(4) . . . . ?
C11B C12A C14B C13B 148(3) . . . . ?
C12B C12A C14B C15A -27(4) . . . . ?
C11A C12A C14B C15A 2.6(15) . . . . ?
C13A C12A C14B C15A -175(3) . . . . ?
C11B C12A C14B C15A -4.4(19) . . . . ?
C12B C12A C14B C11A -29(3) . . . . ?
C13A C12A C14B C11A -177.3(16) . . . . ?
C11B C12A C14B C11A -7.0(9) . . . . ?
C15B C15A C14B C13A -176(9) . . . . ?
C14A C15A C14B C13A 15(8) . . . . ?
C10A C15A C14B C13A -163(9) . . . . ?
C10B C15A C14B C13A -162(9) . . . . ?
C15B C15A C14B C14A 169(2) . . . . ?
C10A C15A C14B C14A -178.0(12) . . . . ?
C10B C15A C14B C14A -177.3(14) . . . . ?
C14A C15A C14B C15B -169(2) . . . . ?
C10A C15A C14B C15B 13(3) . . . . ?
C10B C15A C14B C15B 13.4(19) . . . . ?
C15B C15A C14B C13B -28(4) . . . . ?
C14A C15A C14B C13B 162(3) . . . . ?
C10A C15A C14B C13B -15.8(17) . . . . ?
C10B C15A C14B C13B -15(2) . . . . ?
C15B C15A C14B C12A -15(3) . . . . ?
C14A C15A C14B C12A 175(3) . . . . ?
C10A C15A C14B C12A -2.6(15) . . . . ?
C10B C15A C14B C12A -1.8(18) . . . . ?
C15B C15A C14B C11A -13(3) . . . . ?
C14A C15A C14B C11A 177.2(16) . . . . ?
C10A C15A C14B C11A -0.8(5) . . . . ?
C10B C15A C14B C11A 0.0(10) . . . . ?
C14A C15A C15B C10A 164(3) . . . . ?
C14B C15A C15B C10A 158(4) . . . . ?
C10B C15A C15B C10A 1.7(14) . . . . ?
C14A C15A C15B C14B 6.0(12) . . . . ?
C10A C15A C15B C14B -158(4) . . . . ?
C10B C15A C15B C14B -157(3) . . . . ?
C14A C15A C15B C10B 163(2) . . . . ?
C10A C15A C15B C10B -1.7(14) . . . . ?
C14B C15A C15B C10B 157(3) . . . . ?
C10A C15A C15B C14A -164(3) . . . . ?
C14B C15A C15B C14A -6.0(12) . . . . ?
C10B C15A C15B C14A -163(2) . . . . ?
C14A C15A C15B C11A 116(8) . . . . ?
C10A C15A C15B C11A -49(6) . . . . ?
C14B C15A C15B C11A 110(8) . . . . ?
C10B C15A C15B C11A -47(7) . . . . ?
C11A C10A C15B C15A -164(3) . . . . ?
C11B C10A C15B C15A -159(2) . . . . ?
Si1A C10A C15B C15A 23(6) . . . . ?
Si10 C10A C15B C15A 26(5) . . . . ?
C11A C10A C15B C14B -11(2) . . . . ?
C15A C10A C15B C14B 153(5) . . . . ?
C11B C10A C15B C14B -5(3) . . . . ?
Si1A C10A C15B C14B 175.9(11) . . . . ?
Si10 C10A C15B C14B 179.7(9) . . . . ?
C11A C10A C15B C10B 7(10) . . . . ?
C15A C10A C15B C10B 171(7) . . . . ?
C11B C10A C15B C10B 13(8) . . . . ?
Si1A C10A C15B C10B -166(12) . . . . ?
Si10 C10A C15B C10B -162(11) . . . . ?
C11A C10A C15B C14A -47(8) . . . . ?
C15A C10A C15B C14A 118(10) . . . . ?
C11B C10A C15B C14A -41(9) . . . . ?
Si1A C10A C15B C14A 140(5) . . . . ?
Si10 C10A C15B C14A 144(6) . . . . ?
C15A C10A C15B C11A 164(3) . . . . ?
C11B C10A C15B C11A 5.9(14) . . . . ?
Si1A C10A C15B C11A -173(3) . . . . ?
Si10 C10A C15B C11A -169.3(16) . . . . ?
C14A C14B C15B C15A -9.0(19) . . . . ?
C13B C14B C15B C15A 159(3) . . . . ?
C12A C14B C15B C15A 167(3) . . . . ?
C11A C14B C15B C15A 165(3) . . . . ?
C14A C14B C15B C10A -165(3) . . . . ?
C13B C14B C15B C10A 3(2) . . . . ?
C12A C14B C15B C10A 11(2) . . . . ?
C15A C14B C15B C10A -156(5) . . . . ?
C11A C14B C15B C10A 8.7(17) . . . . ?
C14A C14B C15B C10B -168(2) . . . . ?
C13B C14B C15B C10B 0.0 . . . . ?
C12A C14B C15B C10B 8.0(9) . . . . ?
C15A C14B C15B C10B -159(3) . . . . ?
C11A C14B C15B C10B 5.5(7) . . . . ?
C13B C14B C15B C14A 168.0(19) . . . . ?
C12A C14B C15B C14A 176(2) . . . . ?
C15A C14B C15B C14A 9.0(19) . . . . ?
C11A C14B C15B C14A 174(2) . . . . ?
C14A C14B C15B C11A -174(2) . . . . ?
C13B C14B C15B C11A -5.5(7) . . . . ?
C12A C14B C15B C11A 2.4(8) . . . . ?
C15A C14B C15B C11A -165(3) . . . . ?
C11A C10B C15B C15A -162(4) . . . . ?
C11B C10B C15B C15A -154(3) . . . . ?
Si1A C10B C15B C15A 20(3) . . . . ?
Si10 C10B C15B C15A 24(3) . . . . ?
C11A C10B C15B C10A -172(11) . . . . ?
C11B C10B C15B C10A -164(11) . . . . ?
Si1A C10B C15B C10A 10(9) . . . . ?
C15A C10B C15B C10A -10(8) . . . . ?
Si10 C10B C15B C10A 15(9) . . . . ?
C11A C10B C15B C14B -8.1(10) . . . . ?
C11B C10B C15B C14B 0.0 . . . . ?
Si1A C10B C15B C14B 174.1(17) . . . . ?
C15A C10B C15B C14B 154(3) . . . . ?
Si10 C10B C15B C14B 178.6(14) . . . . ?
C11A C10B C15B C14A -28(3) . . . . ?
C11B C10B C15B C14A -20(3) . . . . ?
Si1A C10B C15B C14A 155(3) . . . . ?
C15A C10B C15B C14A 135(6) . . . . ?
Si10 C10B C15B C14A 159(4) . . . . ?
C11B C10B C15B C11A 8.1(10) . . . . ?
Si1A C10B C15B C11A -178(2) . . . . ?
C15A C10B C15B C11A 162(4) . . . . ?
Si10 C10B C15B C11A -173(2) . . . . ?
C14B C14A C15B C15A 170.8(19) . . . . ?
C13A C14A C15B C15A 170.8(19) . . . . ?
C14B C14A C15B C10A 46(8) . . . . ?
C13A C14A C15B C10A 46(8) . . . . ?
C15A C14A C15B C10A -124(9) . . . . ?
C13A C14A C15B C14B -0.1(12) . . . . ?
C15A C14A C15B C14B -170.8(19) . . . . ?
C14B C14A C15B C10B 28(4) . . . . ?
C13A C14A C15B C10B 27(3) . . . . ?
C15A C14A C15B C10B -143(5) . . . . ?
C14B C14A C15B C11A 7(2) . . . . ?
C13A C14A C15B C11A 7.1(15) . . . . ?
C15A C14A C15B C11A -164(3) . . . . ?
C11B C11A C15B C15A 41(10) . . . . ?
C10B C11A C15B C15A 59(8) . . . . ?
C12B C11A C15B C15A -99(8) . . . . ?
C12A C11A C15B C15A -116(8) . . . . ?
C10A C11A C15B C15A 58(7) . . . . ?
C13B C11A C15B C15A -110(8) . . . . ?
C14B C11A C15B C15A -114(8) . . . . ?
C11B C11A C15B C10A -17(4) . . . . ?
C10B C11A C15B C10A 2(2) . . . . ?
C12B C11A C15B C10A -156.4(19) . . . . ?
C12A C11A C15B C10A -173.7(13) . . . . ?
C13B C11A C15B C10A -167.5(16) . . . . ?
C14B C11A C15B C10A -171.2(18) . . . . ?
C11B C11A C15B C14B 154(3) . . . . ?
C10B C11A C15B C14B 172.8(9) . . . . ?
C12B C11A C15B C14B 14.8(17) . . . . ?
C12A C11A C15B C14B -2.5(8) . . . . ?
C10A C11A C15B C14B 171.2(18) . . . . ?
C13B C11A C15B C14B 3.7(4) . . . . ?
C11B C11A C15B C10B -18(2) . . . . ?
C12B C11A C15B C10B -158(3) . . . . ?
C12A C11A C15B C10B -175.3(13) . . . . ?
C10A C11A C15B C10B -2(2) . . . . ?
C13B C11A C15B C10B -169.2(13) . . . . ?
C14B C11A C15B C10B -172.8(9) . . . . ?
C11B C11A C15B C14A 150(3) . . . . ?
C10B C11A C15B C14A 168.3(15) . . . . ?
C12B C11A C15B C14A 10(3) . . . . ?
C12A C11A C15B C14A -7.0(15) . . . . ?
C10A C11A C15B C14A 167(3) . . . . ?
C13B C11A C15B C14A -0.9(16) . . . . ?
C14B C11A C15B C14A -4.6(14) . . . . ?
Si10 Si1A C10D C11D 116.2(6) . . . . ?
O12 Si1A C10D C11D 85.2(4) . . . . ?
C10B Si1A C10D C11D -145.2(8) . . . . ?
C400 Si1A C10D C11D -30.0(5) . . . . ?
C10A Si1A C10D C11D -160.1(4) . . . . ?
Si10 Si1A C10D C15D -62.4(7) . . . . ?
O12 Si1A C10D C15D -93.4(5) . . . . ?
C10B Si1A C10D C15D 36.2(9) . . . . ?
C400 Si1A C10D C15D 151.4(5) . . . . ?
C10A Si1A C10D C15D 21.3(6) . . . . ?
O12 Si1A C10D Si10 -31.0(5) . . . . ?
C10B Si1A C10D Si10 98.6(9) . . . . ?
C400 Si1A C10D Si10 -146.2(6) . . . . ?
C10A Si1A C10D Si10 83.7(5) . . . . ?
C15D C10D C11D C12D 0.0 . . . . ?
Si1A C10D C11D C12D -178.7(5) . . . . ?
Si10 C10D C11D C12D -156.6(6) . . . . ?
C10D C11D C12D C13D 0.0 . . . . ?
C11D C12D C13D C14D 0.0 . . . . ?
C12D C13D C14D C15D 0.0 . . . . ?
C13D C14D C15D C10D 0.0 . . . . ?
C11D C10D C15D C14D 0.0 . . . . ?
Si1A C10D C15D C14D 178.5(6) . . . . ?
Si10 C10D C15D C14D 159.0(5) . . . . ?
C15E C10E C11E C12E 0.0 . . . . ?
C10E C11E C12E C13E 0.0 . . . . ?
C11E C12E C13E C14E 0.0 . . . . ?
C12E C13E C14E C15E 0.0 . . . . ?
C13E C14E C15E C10E 0.0 . . . . ?
C11E C10E C15E C14E 0.0 . . . . ?
C6FF C1FF C2FF C3FF 0.0 . . . . ?
C1FF C2FF C3FF C4FF 0.0 . . . . ?
C2FF C3FF C4FF C5FF 0.0 . . . . ?
C3FF C4FF C5FF C6FF 0.0 . . . . ?
C4FF C5FF C6FF C1FF 0.0 . . . . ?
C2FF C1FF C6FF C5FF 0.0 . . . . ?
Si11 Si1B C1GG C300 -166.9(16) . . . . ?
O1 Si1B C1GG C300 -71.0(14) . . . . ?
C1AA Si1B C1GG C300 85.9(13) . . . . ?
C1CC Si1B C1GG C300 78.4(15) . . . . ?
C2GG Si1B C1GG C300 170.4(16) . . . . ?
Si11 Si1B C1GG C2GG 22.7(16) . . . . ?
O1 Si1B C1GG C2GG 118.6(9) . . . . ?
C1AA Si1B C1GG C2GG -84.5(10) . . . . ?
C1CC Si1B C1GG C2GG -92.0(11) . . . . ?
C300 Si1B C1GG C2GG -170.4(16) . . . . ?
Si11 Si1B C1GG C6GG -152.5(15) . . . . ?
O1 Si1B C1GG C6GG -56.6(16) . . . . ?
C1AA Si1B C1GG C6GG 100.2(14) . . . . ?
C1CC Si1B C1GG C6GG 92.8(16) . . . . ?
C300 Si1B C1GG C6GG 14.4(13) . . . . ?
C2GG Si1B C1GG C6GG -175.2(14) . . . . ?
O1 Si1B C1GG Si11 95.9(15) . . . . ?
C1AA Si1B C1GG Si11 -107.2(17) . . . . ?
C1CC Si1B C1GG Si11 -114.7(19) . . . . ?
C300 Si1B C1GG Si11 166.9(17) . . . . ?
C2GG Si1B C1GG Si11 -22.7(16) . . . . ?
Si11 Si1B C1GG C301 -121.8(17) . . . . ?
O1 Si1B C1GG C301 -25.8(16) . . . . ?
C1AA Si1B C1GG C301 131.0(12) . . . . ?
C1CC Si1B C1GG C301 123.5(14) . . . . ?
C300 Si1B C1GG C301 45.1(14) . . . . ?
C2GG Si1B C1GG C301 -144.5(16) . . . . ?
Si1B Si11 C1GG C300 13.8(17) . . . . ?
O1 Si11 C1GG C300 -43.4(14) . . . . ?
C1AA Si11 C1GG C300 66.9(14) . . . . ?
C1CC Si11 C1GG C300 60.2(15) . . . . ?
C2GG Si11 C1GG C300 171.4(17) . . . . ?
Si1B Si11 C1GG C2GG -157.7(16) . . . . ?
O1 Si11 C1GG C2GG 145.1(6) . . . . ?
C1AA Si11 C1GG C2GG -104.6(7) . . . . ?
C1CC Si11 C1GG C2GG -111.2(8) . . . . ?
Si1B Si11 C1GG C6GG 43(2) . . . . ?
O1 Si11 C1GG C6GG -14.6(19) . . . . ?
C1AA Si11 C1GG C6GG 95.7(17) . . . . ?
C1CC Si11 C1GG C6GG 89.0(18) . . . . ?
C2GG Si11 C1GG C6GG -159.7(17) . . . . ?
O1 Si11 C1GG Si1B -57.2(14) . . . . ?
C1AA Si11 C1GG Si1B 53.1(14) . . . . ?
C1CC Si11 C1GG Si1B 46.4(15) . . . . ?
C2GG Si11 C1GG Si1B 157.7(16) . . . . ?
Si1B Si11 C1GG C301 64.8(18) . . . . ?
O1 Si11 C1GG C301 7.6(14) . . . . ?
C1AA Si11 C1GG C301 117.9(13) . . . . ?
C1CC Si11 C1GG C301 111.2(13) . . . . ?
C2GG Si11 C1GG C301 -137.5(15) . . . . ?
C300 C1GG C2GG C3GG 43(5) . . . . ?
C6GG C1GG C2GG C3GG 0.0 . . . . ?
Si1B C1GG C2GG C3GG -176.4(11) . . . . ?
Si11 C1GG C2GG C3GG -169.6(9) . . . . ?
C301 C1GG C2GG C3GG -46.2(15) . . . . ?
C300 C1GG C2GG Si11 -147(5) . . . . ?
C6GG C1GG C2GG Si11 169.6(9) . . . . ?
Si1B C1GG C2GG Si11 -6.7(5) . . . . ?
C301 C1GG C2GG Si11 123.4(17) . . . . ?
C300 C1GG C2GG Si1B -140(5) . . . . ?
C6GG C1GG C2GG Si1B 176.4(11) . . . . ?
Si11 C1GG C2GG Si1B 6.7(5) . . . . ?
C301 C1GG C2GG Si1B 130.1(19) . . . . ?
C1GG C2GG C3GG C4GG 0.0 . . . . ?
Si11 C2GG C3GG C4GG -51(4) . . . . ?
Si1B C2GG C3GG C4GG -7(2) . . . . ?
C2GG C3GG C4GG C5GG 0.0 . . . . ?
C3GG C4GG C5GG C6GG 0.0 . . . . ?
C4GG C5GG C6GG C300 -99(5) . . . . ?
C4GG C5GG C6GG C301 115(2) . . . . ?
C4GG C5GG C6GG C1GG 0.0 . . . . ?
C2GG C1GG C6GG C300 166.4(19) . . . . ?
Si1B C1GG C6GG C300 -19.0(16) . . . . ?
Si11 C1GG C6GG C300 -37(2) . . . . ?
C301 C1GG C6GG C300 -69(2) . . . . ?
C300 C1GG C6GG C301 69(2) . . . . ?
C2GG C1GG C6GG C301 -124.1(19) . . . . ?
Si1B C1GG C6GG C301 50(2) . . . . ?
Si11 C1GG C6GG C301 32(2) . . . . ?
C300 C1GG C6GG C5GG -166.4(19) . . . . ?
C2GG C1GG C6GG C5GG 0.0 . . . . ?
Si1B C1GG C6GG C5GG 174.6(16) . . . . ?
Si11 C1GG C6GG C5GG 157(2) . . . . ?
C301 C1GG C6GG C5GG 124.1(19) . . . . ?
Si11 Si1B C1AA C6CC 8.8(17) . . . . ?
C1GG Si1B C1AA C6CC 122.0(12) . . . . ?
O1 Si1B C1AA C6CC -78.7(11) . . . . ?
C1CC Si1B C1AA C6CC -109(5) . . . . ?
C300 Si1B C1AA C6CC 166.6(10) . . . . ?
C2GG Si1B C1AA C6CC 81.5(11) . . . . ?
Si11 Si1B C1AA C2AA 164.8(12) . . . . ?
C1GG Si1B C1AA C2AA -81.9(9) . . . . ?
O1 Si1B C1AA C2AA 77.4(4) . . . . ?
C1CC Si1B C1AA C2AA 47(5) . . . . ?
C300 Si1B C1AA C2AA -37.3(7) . . . . ?
C2GG Si1B C1AA C2AA -122.4(4) . . . . ?
Si11 Si1B C1AA C6AA -16.9(15) . . . . ?
C1GG Si1B C1AA C6AA 96.3(9) . . . . ?
O1 Si1B C1AA C6AA -104.4(7) . . . . ?
C1CC Si1B C1AA C6AA -135(5) . . . . ?
C300 Si1B C1AA C6AA 140.9(7) . . . . ?
C2GG Si1B C1AA C6AA 55.8(7) . . . . ?
Si11 Si1B C1AA C2CC 165.7(16) . . . . ?
C1GG Si1B C1AA C2CC -81.0(15) . . . . ?
O1 Si1B C1AA C2CC 78.3(13) . . . . ?
C1CC Si1B C1AA C2CC 48(4) . . . . ?
C300 Si1B C1AA C2CC -36.4(14) . . . . ?
C2GG Si1B C1AA C2CC -121.5(12) . . . . ?
C1GG Si1B C1AA Si11 113.2(18) . . . . ?
O1 Si1B C1AA Si11 -87.4(10) . . . . ?
C1CC Si1B C1AA Si11 -118(5) . . . . ?
C300 Si1B C1AA Si11 157.8(16) . . . . ?
C2GG Si1B C1AA Si11 72.8(13) . . . . ?
C6CC C1AA C2AA C1CC 55(3) . . . . ?
C6AA C1AA C2AA C1CC 84(3) . . . . ?
C2CC C1AA C2AA C1CC 85(4) . . . . ?
Si1B C1AA C2AA C1CC -98(3) . . . . ?
Si11 C1AA C2AA C1CC -93(3) . . . . ?
C6CC C1AA C2AA C3AA -28.5(8) . . . . ?
C6AA C1AA C2AA C3AA 0.0 . . . . ?
C2CC C1AA C2AA C3AA 1(3) . . . . ?
Si1B C1AA C2AA C3AA 178.5(5) . . . . ?
Si11 C1AA C2AA C3AA -176.5(5) . . . . ?
C6CC C1AA C2AA C3CC -25.6(11) . . . . ?
C6AA C1AA C2AA C3CC 2.9(6) . . . . ?
C2CC C1AA C2AA C3CC 4(2) . . . . ?
Si1B C1AA C2AA C3CC -178.6(8) . . . . ?
Si11 C1AA C2AA C3CC -173.6(8) . . . . ?
C1CC C2AA C3AA C3CC -1.5(19) . . . . ?
C1AA C2AA C3AA C3CC 9.2(18) . . . . ?
C1CC C2AA C3AA C2CC -14(8) . . . . ?
C1AA C2AA C3AA C2CC -3(9) . . . . ?
C3CC C2AA C3AA C2CC -12(8) . . . . ?
C1CC C2AA C3AA C4AA -10.7(12) . . . . ?
C1AA C2AA C3AA C4AA 0.0 . . . . ?
C3CC C2AA C3AA C4AA -9.2(18) . . . . ?
C2CC C3AA C4AA C3CC 121(8) . . . . ?
C2AA C3AA C4AA C3CC 120(7) . . . . ?
C3CC C3AA C4AA C4CC -73(7) . . . . ?
C2CC C3AA C4AA C4CC 47(3) . . . . ?
C2AA C3AA C4AA C4CC 46.9(18) . . . . ?
C3CC C3AA C4AA C5AA -120(7) . . . . ?
C2CC C3AA C4AA C5AA 0.5(15) . . . . ?
C2AA C3AA C4AA C5AA 0.0 . . . . ?
C3CC C3AA C4AA C2CC -121(8) . . . . ?
C2AA C3AA C4AA C2CC -0.5(15) . . . . ?
C3CC C3AA C4AA C5CC -101(7) . . . . ?
C2CC C3AA C4AA C5CC 19.7(18) . . . . ?
C2AA C3AA C4AA C5CC 19.3(6) . . . . ?
C3CC C4AA C5AA C5CC 69(2) . . . . ?
C4CC C4AA C5AA C5CC -51.4(18) . . . . ?
C3AA C4AA C5AA C5CC 78.1(14) . . . . ?
C2CC C4AA C5AA C5CC 78.3(15) . . . . ?
C3CC C4AA C5AA C4CC 120(3) . . . . ?
C3AA C4AA C5AA C4CC 129.5(17) . . . . ?
C2CC C4AA C5AA C4CC 129.7(16) . . . . ?
C5CC C4AA C5AA C4CC 51.4(18) . . . . ?
C3CC C4AA C5AA C6AA -9.2(18) . . . . ?
C4CC C4AA C5AA C6AA -129.5(17) . . . . ?
C3AA C4AA C5AA C6AA 0.0 . . . . ?
C2CC C4AA C5AA C6AA 0.2(7) . . . . ?
C5CC C4AA C5AA C6AA -78.1(14) . . . . ?
C3CC C4AA C5AA C6CC 9(2) . . . . ?
C4CC C4AA C5AA C6CC -110.8(16) . . . . ?
C3AA C4AA C5AA C6CC 18.7(7) . . . . ?
C2CC C4AA C5AA C6CC 18.9(9) . . . . ?
C5CC C4AA C5AA C6CC -59.4(11) . . . . ?
C4CC C4AA C5AA C3CC -120(3) . . . . ?
C3AA C4AA C5AA C3CC 9.2(18) . . . . ?
C2CC C4AA C5AA C3CC 9.4(14) . . . . ?
C5CC C4AA C5AA C3CC -69(2) . . . . ?
C5CC C5AA C6AA C6CC -37.6(18) . . . . ?
C4CC C5AA C6AA C6CC 47(2) . . . . ?
C4AA C5AA C6AA C6CC 85(2) . . . . ?
C3CC C5AA C6AA C6CC 83(2) . . . . ?
C4CC C5AA C6AA C5CC 85(2) . . . . ?
C4AA C5AA C6AA C5CC 123.1(14) . . . . ?
C6CC C5AA C6AA C5CC 37.6(18) . . . . ?
C3CC C5AA C6AA C5CC 120.2(14) . . . . ?
C5CC C5AA C6AA C1AA -123.1(14) . . . . ?
C4CC C5AA C6AA C1AA -38.3(15) . . . . ?
C4AA C5AA C6AA C1AA 0.0 . . . . ?
C6CC C5AA C6AA C1AA -85(2) . . . . ?
C3CC C5AA C6AA C1AA -2.9(6) . . . . ?
C5CC C5AA C6AA C1CC -114.9(14) . . . . ?
C4CC C5AA C6AA C1CC -30.1(19) . . . . ?
C4AA C5AA C6AA C1CC 8.2(10) . . . . ?
C6CC C5AA C6AA C1CC -77.3(19) . . . . ?
C3CC C5AA C6AA C1CC 5.3(10) . . . . ?
C2AA C1AA C6AA C6CC -115.6(16) . . . . ?
C2CC C1AA C6AA C6CC -115.9(19) . . . . ?
Si1B C1AA C6AA C6CC 66.3(15) . . . . ?
Si11 C1AA C6AA C6CC 61.2(15) . . . . ?
C6CC C1AA C6AA C5CC 74.3(17) . . . . ?
C2AA C1AA C6AA C5CC -41.3(10) . . . . ?
C2CC C1AA C6AA C5CC -41.6(15) . . . . ?
Si1B C1AA C6AA C5CC 140.6(10) . . . . ?
Si11 C1AA C6AA C5CC 135.5(10) . . . . ?
C6CC C1AA C6AA C5AA 115.6(16) . . . . ?
C2AA C1AA C6AA C5AA 0.0 . . . . ?
C2CC C1AA C6AA C5AA -0.3(9) . . . . ?
Si1B C1AA C6AA C5AA -178.1(7) . . . . ?
Si11 C1AA C6AA C5AA 176.8(5) . . . . ?
C6CC C1AA C6AA C1CC 69(4) . . . . ?
C2AA C1AA C6AA C1CC -47(4) . . . . ?
C2CC C1AA C6AA C1CC -47(4) . . . . ?
Si1B C1AA C6AA C1CC 135(4) . . . . ?
Si11 C1AA C6AA C1CC 130(4) . . . . ?
C3AA C2AA C1CC C2CC 4(3) . . . . ?
C1AA C2AA C1CC C2CC -97(4) . . . . ?
C3CC C2AA C1CC C2CC 4(3) . . . . ?
C3AA C2AA C1CC C6CC -3(3) . . . . ?
C1AA C2AA C1CC C6CC -105(4) . . . . ?
C3CC C2AA C1CC C6CC -4(3) . . . . ?
C3AA C2AA C1CC C6AA 22(2) . . . . ?
C1AA C2AA C1CC C6AA -80(4) . . . . ?
C3CC C2AA C1CC C6AA 21(2) . . . . ?
C3AA C2AA C1CC Si1B 173.3(4) . . . . ?
C1AA C2AA C1CC Si1B 72(3) . . . . ?
C3CC C2AA C1CC Si1B 172.8(8) . . . . ?
C3AA C2AA C1CC Si11 174.6(7) . . . . ?
C1AA C2AA C1CC Si11 73(3) . . . . ?
C3CC C2AA C1CC Si11 174.1(11) . . . . ?
C6CC C6AA C1CC C2AA -136.1(18) . . . . ?
C5CC C6AA C1CC C2AA -59(2) . . . . ?
C5AA C6AA C1CC C2AA -21(2) . . . . ?
C1AA C6AA C1CC C2AA 116(6) . . . . ?
C6CC C6AA C1CC C2CC -129.9(11) . . . . ?
C5CC C6AA C1CC C2CC -52.7(13) . . . . ?
C5AA C6AA C1CC C2CC -14.3(10) . . . . ?
C1AA C6AA C1CC C2CC 123(4) . . . . ?
C5CC C6AA C1CC C6CC 77.2(17) . . . . ?
C5AA C6AA C1CC C6CC 115.6(17) . . . . ?
C1AA C6AA C1CC C6CC -107(5) . . . . ?
C6CC C6AA C1CC Si1B 73(2) . . . . ?
C5CC C6AA C1CC Si1B 150.6(10) . . . . ?
C5AA C6AA C1CC Si1B -171.0(6) . . . . ?
C1AA C6AA C1CC Si1B -34(3) . . . . ?
C6CC C6AA C1CC Si11 66.0(19) . . . . ?
C5CC C6AA C1CC Si11 143.2(10) . . . . ?
C5AA C6AA C1CC Si11 -178.4(3) . . . . ?
C1AA C6AA C1CC Si11 -41(3) . . . . ?
Si11 Si1B C1CC C2AA 176.1(17) . . . . ?
C1GG Si1B C1CC C2AA -65.9(18) . . . . ?
O1 Si1B C1CC C2AA 88.2(15) . . . . ?
C1AA Si1B C1CC C2AA -121(6) . . . . ?
C300 Si1B C1CC C2AA -22.6(17) . . . . ?
C2GG Si1B C1CC C2AA -109.5(14) . . . . ?
Si11 Si1B C1CC C2CC -179.0(13) . . . . ?
C1GG Si1B C1CC C2CC -61.0(15) . . . . ?
O1 Si1B C1CC C2CC 93.1(10) . . . . ?
C1AA Si1B C1CC C2CC -116(5) . . . . ?
C300 Si1B C1CC C2CC -17.7(12) . . . . ?
C2GG Si1B C1CC C2CC -104.6(10) . . . . ?
Si11 Si1B C1CC C6CC -6.2(15) . . . . ?
C1GG Si1B C1CC C6CC 111.8(11) . . . . ?
O1 Si1B C1CC C6CC -94.1(8) . . . . ?
C1AA Si1B C1CC C6CC 57(4) . . . . ?
C300 Si1B C1CC C6CC 155.1(8) . . . . ?
C2GG Si1B C1CC C6CC 68.2(9) . . . . ?
Si11 Si1B C1CC C6AA -29.5(17) . . . . ?
C1GG Si1B C1CC C6AA 88.6(14) . . . . ?
O1 Si1B C1CC C6AA -117.3(11) . . . . ?
C1AA Si1B C1CC C6AA 34(4) . . . . ?
C300 Si1B C1CC C6AA 131.9(11) . . . . ?
C2GG Si1B C1CC C6AA 45.0(14) . . . . ?
C1GG Si1B C1CC Si11 118.0(19) . . . . ?
O1 Si1B C1CC Si11 -87.8(11) . . . . ?
C1AA Si1B C1CC Si11 63(5) . . . . ?
C300 Si1B C1CC Si11 161.4(16) . . . . ?
C2GG Si1B C1CC Si11 74.5(14) . . . . ?
C3CC C3AA C2CC C1CC -8(5) . . . . ?
C2AA C3AA C2CC C1CC 161(12) . . . . ?
C4AA C3AA C2CC C1CC -16(3) . . . . ?
C2AA C3AA C2CC C3CC 169(8) . . . . ?
C4AA C3AA C2CC C3CC -8.4(17) . . . . ?
C3CC C3AA C2CC C1AA 7(6) . . . . ?
C2AA C3AA C2CC C1AA 176(13) . . . . ?
C4AA C3AA C2CC C1AA -1(4) . . . . ?
C3CC C3AA C2CC C4AA 8.4(17) . . . . ?
C2AA C3AA C2CC C4AA 177(9) . . . . ?
C2AA C1CC C2CC C3AA -170(6) . . . . ?
C6CC C1CC C2CC C3AA 4(2) . . . . ?
C6AA C1CC C2CC C3AA 25(3) . . . . ?
Si1B C1CC C2CC C3AA 176(3) . . . . ?
Si11 C1CC C2CC C3AA 176(3) . . . . ?
C2AA C1CC C2CC C3CC -175(4) . . . . ?
C6CC C1CC C2CC C3CC 0.0 . . . . ?
C6AA C1CC C2CC C3CC 20.3(7) . . . . ?
Si1B C1CC C2CC C3CC 172.1(14) . . . . ?
Si11 C1CC C2CC C3CC 171.7(17) . . . . ?
C2AA C1CC C2CC C1AA 97(5) . . . . ?
C6CC C1CC C2CC C1AA -88(4) . . . . ?
C6AA C1CC C2CC C1AA -68(3) . . . . ?
Si1B C1CC C2CC C1AA 84(4) . . . . ?
Si11 C1CC C2CC C1AA 84(4) . . . . ?
C2AA C1CC C2CC C4AA 178(4) . . . . ?
C6CC C1CC C2CC C4AA -7.2(5) . . . . ?
C6AA C1CC C2CC C4AA 13.1(8) . . . . ?
Si1B C1CC C2CC C4AA 165.0(12) . . . . ?
Si11 C1CC C2CC C4AA 164.5(15) . . . . ?
C6CC C1AA C2CC C3AA -23(4) . . . . ?
C2AA C1AA C2CC C3AA -178(7) . . . . ?
C6AA C1AA C2CC C3AA 1(4) . . . . ?
Si1B C1AA C2CC C3AA 179(3) . . . . ?
Si11 C1AA C2CC C3AA -174(2) . . . . ?
C6CC C1AA C2CC C1CC 78(4) . . . . ?
C2AA C1AA C2CC C1CC -78(5) . . . . ?
C6AA C1AA C2CC C1CC 102(4) . . . . ?
Si1B C1AA C2CC C1CC -80(4) . . . . ?
Si11 C1AA C2CC C1CC -74(4) . . . . ?
C6CC C1AA C2CC C3CC -19.0(18) . . . . ?
C2AA C1AA C2CC C3CC -174(4) . . . . ?
C6AA C1AA C2CC C3CC 4.9(13) . . . . ?
Si1B C1AA C2CC C3CC -177.1(6) . . . . ?
Si11 C1AA C2CC C3CC -170.8(8) . . . . ?
C6CC C1AA C2CC C4AA -23.6(16) . . . . ?
C2AA C1AA C2CC C4AA -179(4) . . . . ?
C6AA C1AA C2CC C4AA 0.3(11) . . . . ?
Si1B C1AA C2CC C4AA 178.3(5) . . . . ?
Si11 C1AA C2CC C4AA -175.4(8) . . . . ?
C2CC C3AA C3CC C4AA -63(8) . . . . ?
C2AA C3AA C3CC C4AA -65(8) . . . . ?
C2AA C3AA C3CC C2CC -2.0(14) . . . . ?
C4AA C3AA C3CC C2CC 63(8) . . . . ?
C2CC C3AA C3CC C4CC 11(7) . . . . ?
C2AA C3AA C3CC C4CC 9(6) . . . . ?
C4AA C3AA C3CC C4CC 74(7) . . . . ?
C2CC C3AA C3CC C2AA 2.0(14) . . . . ?
C4AA C3AA C3CC C2AA 65(8) . . . . ?
C2CC C3AA C3CC C5AA -14(4) . . . . ?
C2AA C3AA C3CC C5AA -16(3) . . . . ?
C4AA C3AA C3CC C5AA 49(6) . . . . ?
C4CC C4AA C3CC C3AA 115(7) . . . . ?
C5AA C4AA C3CC C3AA 65(8) . . . . ?
C2CC C4AA C3CC C3AA 47(6) . . . . ?
C5CC C4AA C3CC C3AA 83(7) . . . . ?
C4CC C4AA C3CC C2CC 68(4) . . . . ?
C5AA C4AA C3CC C2CC 18(3) . . . . ?
C3AA C4AA C3CC C2CC -47(6) . . . . ?
C5CC C4AA C3CC C2CC 36(2) . . . . ?
C5AA C4AA C3CC C4CC -51(2) . . . . ?
C3AA C4AA C3CC C4CC -115(7) . . . . ?
C2CC C4AA C3CC C4CC -68(4) . . . . ?
C5CC C4AA C3CC C4CC -32.0(17) . . . . ?
C4CC C4AA C3CC C2AA 67(4) . . . . ?
C5AA C4AA C3CC C2AA 16(3) . . . . ?
C3AA C4AA C3CC C2AA -49(6) . . . . ?
C2CC C4AA C3CC C2AA -1.8(11) . . . . ?
C5CC C4AA C3CC C2AA 35(3) . . . . ?
C4CC C4AA C3CC C5AA 51(2) . . . . ?
C3AA C4AA C3CC C5AA -65(8) . . . . ?
C2CC C4AA C3CC C5AA -18(3) . . . . ?
C5CC C4AA C3CC C5AA 18.5(7) . . . . ?
C1CC C2CC C3CC C3AA 175(3) . . . . ?
C1AA C2CC C3CC C3AA -175(4) . . . . ?
C4AA C2CC C3CC C3AA -159(4) . . . . ?
C3AA C2CC C3CC C4AA 159(4) . . . . ?
C1CC C2CC C3CC C4AA -26.5(18) . . . . ?
C1AA C2CC C3CC C4AA -17(2) . . . . ?
C3AA C2CC C3CC C4CC -175(3) . . . . ?
C1CC C2CC C3CC C4CC 0.0 . . . . ?
C1AA C2CC C3CC C4CC 9.6(10) . . . . ?
C4AA C2CC C3CC C4CC 26.5(18) . . . . ?
C3AA C2CC C3CC C2AA -110(28) . . . . ?
C1CC C2CC C3CC C2AA 65(27) . . . . ?
C1AA C2CC C3CC C2AA 75(26) . . . . ?
C4AA C2CC C3CC C2AA 92(27) . . . . ?
C3AA C2CC C3CC C5AA 170(3) . . . . ?
C1CC C2CC C3CC C5AA -15.5(5) . . . . ?
C1AA C2CC C3CC C5AA -5.9(12) . . . . ?
C4AA C2CC C3CC C5AA 10.9(16) . . . . ?
C1CC C2AA C3CC C3AA 178.7(17) . . . . ?
C1AA C2AA C3CC C3AA -171.8(16) . . . . ?
C1CC C2AA C3CC C4AA -23(3) . . . . ?
C3AA C2AA C3CC C4AA 158(4) . . . . ?
C1AA C2AA C3CC C4AA -14(3) . . . . ?
C1CC C2AA C3CC C2CC -113(28) . . . . ?
C3AA C2AA C3CC C2CC 69(28) . . . . ?
C1AA C2AA C3CC C2CC -103(27) . . . . ?
C1CC C2AA C3CC C4CC 3(2) . . . . ?
C3AA C2AA C3CC C4CC -176(2) . . . . ?
C1AA C2AA C3CC C4CC 12.3(11) . . . . ?
C1CC C2AA C3CC C5AA -13.3(15) . . . . ?
C3AA C2AA C3CC C5AA 168(2) . . . . ?
C1AA C2AA C3CC C5AA -3.8(7) . . . . ?
C5CC C5AA C3CC C3AA 79(3) . . . . ?
C4CC C5AA C3CC C3AA 159(2) . . . . ?
C6AA C5AA C3CC C3AA 14(3) . . . . ?
C4AA C5AA C3CC C3AA -158(4) . . . . ?
C6CC C5AA C3CC C3AA 30(2) . . . . ?
C5CC C5AA C3CC C4AA -123(2) . . . . ?
C4CC C5AA C3CC C4AA -42(2) . . . . ?
C6AA C5AA C3CC C4AA 171.8(16) . . . . ?
C6CC C5AA C3CC C4AA -171.5(18) . . . . ?
C5CC C5AA C3CC C2CC 70.1(16) . . . . ?
C4CC C5AA C3CC C2CC 150.8(7) . . . . ?
C6AA C5AA C3CC C2CC 5.1(8) . . . . ?
C4AA C5AA C3CC C2CC -167(2) . . . . ?
C6CC C5AA C3CC C2CC 21.7(7) . . . . ?
C5CC C5AA C3CC C4CC -80.6(19) . . . . ?
C6AA C5AA C3CC C4CC -145.7(13) . . . . ?
C4AA C5AA C3CC C4CC 42(2) . . . . ?
C6CC C5AA C3CC C4CC -129.0(13) . . . . ?
C5CC C5AA C3CC C2AA 68.8(16) . . . . ?
C4CC C5AA C3CC C2AA 149.4(13) . . . . ?
C6AA C5AA C3CC C2AA 3.8(7) . . . . ?
C4AA C5AA C3CC C2AA -168(2) . . . . ?
C6CC C5AA C3CC C2AA 20.4(9) . . . . ?
C3CC C4AA C4CC C5AA -93(3) . . . . ?
C3AA C4AA C4CC C5AA -81(2) . . . . ?
C2CC C4AA C4CC C5AA -59.4(18) . . . . ?
C5CC C4AA C4CC C5AA -27.3(8) . . . . ?
C3CC C4AA C4CC C5CC -66(4) . . . . ?
C5AA C4AA C4CC C5CC 27.3(8) . . . . ?
C3AA C4AA C4CC C5CC -54(3) . . . . ?
C2CC C4AA C4CC C5CC -32(2) . . . . ?
C5AA C4AA C4CC C3CC 93(3) . . . . ?
C3AA C4AA C4CC C3CC 11.9(16) . . . . ?
C2CC C4AA C4CC C3CC 33.7(17) . . . . ?
C5CC C4AA C4CC C3CC 66(4) . . . . ?
C5CC C5AA C4CC C4AA 141.8(11) . . . . ?
C6AA C5AA C4CC C4AA 75(2) . . . . ?
C6CC C5AA C4CC C4AA 89.5(17) . . . . ?
C3CC C5AA C4CC C4AA 22.2(10) . . . . ?
C6AA C5AA C4CC C5CC -66.9(16) . . . . ?
C4AA C5AA C4CC C5CC -141.8(11) . . . . ?
C6CC C5AA C4CC C5CC -52.3(10) . . . . ?
C3CC C5AA C4CC C5CC -119.7(10) . . . . ?
C5CC C5AA C4CC C3CC 119.7(10) . . . . ?
C6AA C5AA C4CC C3CC 52.8(17) . . . . ?
C4AA C5AA C4CC C3CC -22.2(10) . . . . ?
C6CC C5AA C4CC C3CC 67.4(14) . . . . ?
C3AA C3CC C4CC C4AA -135(7) . . . . ?
C2CC C3CC C4CC C4AA -127(3) . . . . ?
C2AA C3CC C4CC C4AA -129(3) . . . . ?
C5AA C3CC C4CC C4AA -93(3) . . . . ?
C3AA C3CC C4CC C5AA -42(5) . . . . ?
C4AA C3CC C4CC C5AA 93(3) . . . . ?
C2CC C3CC C4CC C5AA -34.1(9) . . . . ?
C2AA C3CC C4CC C5AA -35.5(15) . . . . ?
C3AA C3CC C4CC C5CC -8(5) . . . . ?
C4AA C3CC C4CC C5CC 127(3) . . . . ?
C2CC C3CC C4CC C5CC 0.0 . . . . ?
C2AA C3CC C4CC C5CC -1.4(10) . . . . ?
C5AA C3CC C4CC C5CC 34.1(9) . . . . ?
C4CC C5AA C5CC C6AA -134.1(7) . . . . ?
C4AA C5AA C5CC C6AA -107.3(11) . . . . ?
C6CC C5AA C5CC C6AA -13.1(6) . . . . ?
C3CC C5AA C5CC C6AA -87.3(12) . . . . ?
C6AA C5AA C5CC C4CC 134.1(7) . . . . ?
C4AA C5AA C5CC C4CC 26.9(10) . . . . ?
C6CC C5AA C5CC C4CC 121.0(9) . . . . ?
C3CC C5AA C5CC C4CC 46.8(10) . . . . ?
C4CC C5AA C5CC C6CC -121.0(9) . . . . ?
C6AA C5AA C5CC C6CC 13.1(6) . . . . ?
C4AA C5AA C5CC C6CC -94.2(14) . . . . ?
C3CC C5AA C5CC C6CC -74.2(14) . . . . ?
C4CC C5AA C5CC C4AA -26.9(9) . . . . ?
C6AA C5AA C5CC C4AA 107.3(11) . . . . ?
C6CC C5AA C5CC C4AA 94.2(14) . . . . ?
C3CC C5AA C5CC C4AA 20.0(6) . . . . ?
C6CC C6AA C5CC C5AA 148.4(12) . . . . ?
C1AA C6AA C5CC C5AA 82.3(15) . . . . ?
C1CC C6AA C5CC C5AA 83.5(13) . . . . ?
C6CC C6AA C5CC C4CC 119.1(14) . . . . ?
C5AA C6AA C5CC C4CC -29.3(9) . . . . ?
C1AA C6AA C5CC C4CC 53.0(12) . . . . ?
C1CC C6AA C5CC C4CC 54.2(13) . . . . ?
C5AA C6AA C5CC C6CC -148.4(12) . . . . ?
C1AA C6AA C5CC C6CC -66.1(17) . . . . ?
C1CC C6AA C5CC C6CC -64.9(14) . . . . ?
C6CC C6AA C5CC C4AA 118.3(14) . . . . ?
C5AA C6AA C5CC C4AA -30.1(7) . . . . ?
C1AA C6AA C5CC C4AA 52.2(11) . . . . ?
C1CC C6AA C5CC C4AA 53.4(11) . . . . ?
C4AA C4CC C5CC C5AA -51.8(17) . . . . ?
C3CC C4CC C5CC C5AA -74.2(12) . . . . ?
C4AA C4CC C5CC C6AA -2.7(17) . . . . ?
C5AA C4CC C5CC C6AA 49.1(11) . . . . ?
C3CC C4CC C5CC C6AA -25.2(7) . . . . ?
C4AA C4CC C5CC C6CC 22.4(15) . . . . ?
C5AA C4CC C5CC C6CC 74.2(13) . . . . ?
C3CC C4CC C5CC C6CC 0.0 . . . . ?
C5AA C4CC C5CC C4AA 51.8(17) . . . . ?
C3CC C4CC C5CC C4AA -22.4(15) . . . . ?
C5CC C6AA C6CC C1AA -135.2(5) . . . . ?
C5AA C6AA C6CC C1AA -114.5(10) . . . . ?
C1CC C6AA C6CC C1AA -10.5(7) . . . . ?
C5AA C6AA C6CC C5CC 20.6(9) . . . . ?
C1AA C6AA C6CC C5CC 135.2(5) . . . . ?
C1CC C6AA C6CC C5CC 124.7(7) . . . . ?
C5CC C6AA C6CC C1CC -124.7(7) . . . . ?
C5AA C6AA C6CC C1CC -104.1(14) . . . . ?
C1AA C6AA C6CC C1CC 10.5(7) . . . . ?
C5CC C6AA C6CC C5AA -20.6(9) . . . . ?
C1AA C6AA C6CC C5AA 114.5(11) . . . . ?
C1CC C6AA C6CC C5AA 104.1(14) . . . . ?
C2AA C1AA C6CC C6AA 80.5(17) . . . . ?
C2CC C1AA C6CC C6AA 71.3(19) . . . . ?
Si1B C1AA C6CC C6AA -128.5(12) . . . . ?
Si11 C1AA C6CC C6AA -126.0(13) . . . . ?
C2AA C1AA C6CC C5CC 29.6(16) . . . . ?
C6AA C1AA C6CC C5CC -50.9(13) . . . . ?
C2CC C1AA C6CC C5CC 20(2) . . . . ?
Si1B C1AA C6CC C5CC -179.4(7) . . . . ?
Si11 C1AA C6CC C5CC -176.9(8) . . . . ?
C2AA C1AA C6CC C1CC -35(3) . . . . ?
C6AA C1AA C6CC C1CC -116(3) . . . . ?
C2CC C1AA C6CC C1CC -45(2) . . . . ?
Si1B C1AA C6CC C1CC 116(4) . . . . ?
Si11 C1AA C6CC C1CC 118(3) . . . . ?
C2AA C1AA C6CC C5AA 41.6(12) . . . . ?
C6AA C1AA C6CC C5AA -38.9(9) . . . . ?
C2CC C1AA C6CC C5AA 32.4(14) . . . . ?
Si1B C1AA C6CC C5AA -167.4(6) . . . . ?
Si11 C1AA C6CC C5AA -164.9(6) . . . . ?
C5AA C5CC C6CC C6AA -32.3(14) . . . . ?
C4CC C5CC C6CC C6AA -71.7(16) . . . . ?
C4AA C5CC C6CC C6AA -64.9(16) . . . . ?
C5AA C5CC C6CC C1AA 27.2(17) . . . . ?
C6AA C5CC C6CC C1AA 59.5(16) . . . . ?
C4CC C5CC C6CC C1AA -12.2(12) . . . . ?
C4AA C5CC C6CC C1AA -5.4(14) . . . . ?
C5AA C5CC C6CC C1CC 39.4(11) . . . . ?
C6AA C5CC C6CC C1CC 71.7(16) . . . . ?
C4CC C5CC C6CC C1CC 0.0 . . . . ?
C4AA C5CC C6CC C1CC 6.8(5) . . . . ?
C6AA C5CC C6CC C5AA 32.3(14) . . . . ?
C4CC C5CC C6CC C5AA -39.4(11) . . . . ?
C4AA C5CC C6CC C5AA -32.6(8) . . . . ?
C2AA C1CC C6CC C6AA 61(2) . . . . ?
C2CC C1CC C6CC C6AA 58.2(14) . . . . ?
Si1B C1CC C6CC C6AA -115.6(18) . . . . ?
Si11 C1CC C6CC C6AA -117.2(18) . . . . ?
C2AA C1CC C6CC C1AA 124(5) . . . . ?
C2CC C1CC C6CC C1AA 122(3) . . . . ?
C6AA C1CC C6CC C1AA 63(4) . . . . ?
Si1B C1CC C6CC C1AA -52(3) . . . . ?
Si11 C1CC C6CC C1AA -54(3) . . . . ?
C2AA C1CC C6CC C5CC 3(2) . . . . ?
C2CC C1CC C6CC C5CC 0.0 . . . . ?
C6AA C1CC C6CC C5CC -58.2(14) . . . . ?
Si1B C1CC C6CC C5CC -173.8(11) . . . . ?
Si11 C1CC C6CC C5CC -175.4(9) . . . . ?
C2AA C1CC C6CC C5AA 20(2) . . . . ?
C2CC C1CC C6CC C5AA 16.6(6) . . . . ?
C6AA C1CC C6CC C5AA -41.6(11) . . . . ?
Si1B C1CC C6CC C5AA -157.1(10) . . . . ?
Si11 C1CC C6CC C5AA -158.7(9) . . . . ?
C5CC C5AA C6CC C6AA 135(2) . . . . ?
C4CC C5AA C6CC C6AA -142.3(17) . . . . ?
C4AA C5AA C6CC C6AA -103.6(18) . . . . ?
C3CC C5AA C6CC C6AA -101(2) . . . . ?
C5CC C5AA C6CC C1AA -157.7(13) . . . . ?
C4CC C5AA C6CC C1AA -75.0(15) . . . . ?
C6AA C5AA C6CC C1AA 67.2(19) . . . . ?
C4AA C5AA C6CC C1AA -36.3(12) . . . . ?
C3CC C5AA C6CC C1AA -33.4(11) . . . . ?
C4CC C5AA C6CC C5CC 82.7(19) . . . . ?
C6AA C5AA C6CC C5CC -135(2) . . . . ?
C4AA C5AA C6CC C5CC 121.4(15) . . . . ?
C3CC C5AA C6CC C5CC 124.4(15) . . . . ?
C5CC C5AA C6CC C1CC -146.2(9) . . . . ?
C4CC C5AA C6CC C1CC -63.5(15) . . . . ?
C6AA C5AA C6CC C1CC 79(2) . . . . ?
C4AA C5AA C6CC C1CC -24.8(9) . . . . ?
C3CC C5AA C6CC C1CC -21.9(7) . . . . ?
C6DD C1DD C2DD C3DD 0.0 . . . . ?
C1DD C2DD C3DD C4DD 0.0 . . . . ?
C2DD C3DD C4DD C5DD 0.0 . . . . ?
C3DD C4DD C5DD C6DD 0.0 . . . . ?
C4DD C5DD C6DD C1DD 0.0 . . . . ?
C2DD C1DD C6DD C5DD 0.0 . . . . ?
C6BB C1BB C2BB C3BB 0.0 . . . . ?
C1BB C2BB C3BB C4BB 0.0 . . . . ?
C2BB C3BB C4BB C5BB 0.0 . . . . ?
C3BB C4BB C5BB C6BB 0.0 . . . . ?
C4BB C5BB C6BB C1BB 0.0 . . . . ?
C2BB C1BB C6BB C5BB 0.0 . . . . ?
C301 C6GG C300 C1GG -106.2(17) . . . . ?
C5GG C6GG C300 C1GG 106(5) . . . . ?
C5GG C6GG C300 C301 -148(6) . . . . ?
C1GG C6GG C300 C301 106.2(17) . . . . ?
C301 C6GG C300 Si1B -96.3(18) . . . . ?
C5GG C6GG C300 Si1B 116(5) . . . . ?
C1GG C6GG C300 Si1B 9.9(8) . . . . ?
C2GG C1GG C300 C6GG -51(6) . . . . ?
Si1B C1GG C300 C6GG 167.6(11) . . . . ?
Si11 C1GG C300 C6GG 163.5(10) . . . . ?
C301 C1GG C300 C6GG 52.5(14) . . . . ?
C2GG C1GG C300 C301 -104(5) . . . . ?
C6GG C1GG C300 C301 -52.5(14) . . . . ?
Si1B C1GG C300 C301 115.1(12) . . . . ?
Si11 C1GG C300 C301 111.0(13) . . . . ?
C2GG C1GG C300 Si1B 141(5) . . . . ?
C6GG C1GG C300 Si1B -167.6(11) . . . . ?
Si11 C1GG C300 Si1B -4.1(5) . . . . ?
C301 C1GG C300 Si1B -115.1(12) . . . . ?
C5GG C6GG C301 C300 172.9(15) . . . . ?
C1GG C6GG C301 C300 -59.3(12) . . . . ?
C300 C6GG C301 C1GG 59.3(12) . . . . ?
C5GG C6GG C301 C1GG -127.8(10) . . . . ?
C1GG C300 C301 C6GG 62.6(13) . . . . ?
Si1B C300 C301 C6GG 107.0(15) . . . . ?
C6GG C300 C301 C1GG -62.6(13) . . . . ?
Si1B C300 C301 C1GG 44.4(9) . . . . ?
Si10 Si1A C400 C401 -0.6(15) . . . . ?
O12 Si1A C400 C401 -10.7(9) . . . . ?
C10B Si1A C400 C401 -129.8(11) . . . . ?
C10D Si1A C400 C401 105.7(8) . . . . ?
C10A Si1A C400 C401 -126.8(8) . . . . ?
O12 Si1A C400 Si10 -10.1(10) . . . . ?
C10B Si1A C400 Si10 -129.2(13) . . . . ?
C10D Si1A C400 Si10 106.3(11) . . . . ?
C10A Si1A C400 Si10 -126.3(11) . . . . ?

_refine_diff_density_max         0.774
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.076

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_8
_database_code_depnum_ccdc_archive 'CCDC 2041831'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-01 deposited with the CCDC.	2021-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H68 O14 Si12'
_chemical_formula_sum            'C60 H68 O14 Si12'
_chemical_formula_weight         1350.22

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1911(6)
_cell_length_b                   13.5671(5)
_cell_length_c                   13.6405(6)
_cell_angle_alpha                61.188(4)
_cell_angle_beta                 68.229(4)
_cell_angle_gamma                77.731(3)
_cell_volume                     1984.70(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    9511
_cell_measurement_theta_min      3.4590
_cell_measurement_theta_max      26.7490

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             708
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    0.247
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.99136
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      100(1)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_reflns_number            15301
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.219
_diffrn_reflns_theta_max         26.797
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7733
_reflns_number_gt                6733
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.521 401.3 93.5 ?
2 0.286 0.566 0.161 9.4 0.0 ?
3 0.714 0.434 0.839 9.4 0.0 ?

_smtbx_masks_special_details     ?



_computing_data_collection       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43c (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'

_refine_special_details          Twin
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0386P)²+0.9463P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7733
_refine_ls_number_parameters     446
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0784
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Si1 Si 0.48442(3) 0.39118(3) 0.76799(4) 0.01628(10) Uani 1 1 d . . . . .
Si2 Si 0.32099(3) 0.50103(3) 0.61899(3) 0.01533(9) Uani 1 1 d . . . . .
Si3 Si 0.37758(3) 0.41256(3) 0.42609(4) 0.01681(10) Uani 1 1 d . . . . .
Si4 Si 0.41032(3) 0.73308(3) 0.54413(4) 0.01877(10) Uani 1 1 d . . . . .
Si5 Si 0.65225(3) 0.18364(4) 0.79385(4) 0.01876(10) Uani 1 1 d . . . . .
Si6 Si 0.46515(4) 0.93416(3) 0.29093(4) 0.02058(10) Uani 1 1 d . . . . .
O1 O 0.40282(9) 0.42111(9) 0.69262(10) 0.0223(2) Uani 1 1 d . . . . .
O2 O 0.34310(9) 0.47343(9) 0.51099(10) 0.0251(3) Uani 1 1 d . . . . .
O3 O 0.34463(9) 0.63092(9) 0.56933(10) 0.0228(2) Uani 1 1 d . . . . .
O4 O 0.53678(9) 0.69165(9) 0.53468(10) 0.0263(3) Uani 1 1 d . . . . .
O5 O 0.43415(9) 0.50592(9) 0.29283(9) 0.0205(2) Uani 1 1 d . . . . .
O6 O 0.40266(9) 0.83833(9) 0.42313(9) 0.0216(2) Uani 1 1 d . . . . .
O7 O 0.55297(9) 0.27876(9) 0.76752(9) 0.0221(2) Uani 1 1 d . . . . .
C11 C 0.40402(13) 0.37205(12) 0.91914(13) 0.0203(3) Uani 1 1 d . . . . .
C12 C 0.29581(14) 0.34062(15) 0.96762(15) 0.0303(4) Uani 1 1 d . . . . .
H12 H 0.262874 0.330741 0.921875 0.036 Uiso 1 1 calc R U . . .
C13 C 0.23562(16) 0.32359(17) 1.08187(17) 0.0428(5) Uani 1 1 d . . . . .
H13 H 0.162104 0.301782 1.113575 0.051 Uiso 1 1 calc R U . . .
C14 C 0.28122(18) 0.33795(17) 1.14981(17) 0.0429(5) Uani 1 1 d . . . . .
H14 H 0.239236 0.326947 1.227647 0.052 Uiso 1 1 calc R U . . .
C15 C 0.38797(19) 0.36831(16) 1.10413(16) 0.0394(5) Uani 1 1 d . . . . .
H15 H 0.420065 0.377857 1.150732 0.047 Uiso 1 1 calc R U . . .
C16 C 0.44917(16) 0.38511(15) 0.98985(15) 0.0297(4) Uani 1 1 d . . . . .
H16 H 0.522947 0.405832 0.959368 0.036 Uiso 1 1 calc R U . . .
C21 C 0.1809(4) 0.4852(4) 0.7212(4) 0.0188(12) Uani 0.5 1 d . U P A 1
C22 C 0.1221(5) 0.3935(5) 0.7545(5) 0.0411(13) Uani 0.5 1 d . . P A 1
H22 H 0.152656 0.344455 0.718400 0.049 Uiso 0.5 1 calc R U P A 1
C23 C 0.0192(4) 0.3729(5) 0.8400(6) 0.0654(18) Uani 0.5 1 d . . P A 1
H23 H -0.020078 0.310633 0.861553 0.078 Uiso 0.5 1 calc R U P A 1
C24 C -0.0243(6) 0.4436(7) 0.8923(7) 0.068(2) Uani 0.5 1 d . . P A 1
H24 H -0.094065 0.429902 0.950797 0.082 Uiso 0.5 1 calc R U P A 1
C25 C 0.0318(6) 0.5333(7) 0.8608(7) 0.0530(17) Uani 0.5 1 d . . P A 1
H25 H 0.001368 0.581095 0.898525 0.064 Uiso 0.5 1 calc R U P A 1
C26 C 0.1319(8) 0.5553(7) 0.7752(10) 0.0319(16) Uani 0.5 1 d . . P A 1
H26 H 0.168478 0.619906 0.752455 0.038 Uiso 0.5 1 calc R U P A 1
C21A C 0.1745(4) 0.4680(4) 0.7059(4) 0.0159(11) Uani 0.5 1 d . U P A 2
C22A C 0.1182(5) 0.3936(5) 0.7066(5) 0.0320(12) Uani 0.5 1 d . . P A 2
H22A H 0.154622 0.353836 0.660915 0.038 Uiso 0.5 1 calc R U P A 2
C23A C 0.0087(4) 0.3752(5) 0.7729(5) 0.0519(13) Uani 0.5 1 d . . P A 2
H23A H -0.028919 0.323699 0.771505 0.062 Uiso 0.5 1 calc R U P A 2
C24A C -0.0449(4) 0.4309(6) 0.8399(6) 0.0553(15) Uani 0.5 1 d . . P A 2
H24A H -0.119899 0.418288 0.884522 0.066 Uiso 0.5 1 calc R U P A 2
C25A C 0.0083(6) 0.5039(8) 0.8432(8) 0.0519(18) Uani 0.5 1 d . . P A 2
H25A H -0.029332 0.542263 0.890156 0.062 Uiso 0.5 1 calc R U P A 2
C26A C 0.1195(9) 0.5229(7) 0.7769(10) 0.0362(18) Uani 0.5 1 d . . P A 2
H26A H 0.157116 0.573029 0.780325 0.043 Uiso 0.5 1 calc R U P A 2
C31 C 0.25536(13) 0.35728(14) 0.43799(14) 0.0217(3) Uani 1 1 d . . . . .
C32 C 0.16551(18) 0.4274(2) 0.4150(3) 0.0566(7) Uani 1 1 d . . . . .
H32 H 0.169406 0.506149 0.386113 0.068 Uiso 1 1 calc R U . . .
C33 C 0.06952(19) 0.3845(3) 0.4335(3) 0.0737(9) Uani 1 1 d . . . . .
H33 H 0.008215 0.433682 0.418599 0.088 Uiso 1 1 calc R U . . .
C34 C 0.06376(18) 0.2717(2) 0.4732(2) 0.0561(7) Uani 1 1 d . . . . .
H34 H -0.001747 0.242264 0.486175 0.067 Uiso 1 1 calc R U . . .
C35 C 0.1515(2) 0.2016(2) 0.49403(18) 0.0509(6) Uani 1 1 d . . . . .
H35 H 0.147481 0.123261 0.520296 0.061 Uiso 1 1 calc R U . . .
C36 C 0.24689(16) 0.24308(15) 0.47736(16) 0.0323(4) Uani 1 1 d . . . . .
H36 H 0.307352 0.192760 0.493081 0.039 Uiso 1 1 calc R U . . .
C41 C 0.34638(13) 0.77415(13) 0.66576(14) 0.0218(3) Uani 1 1 d . . . . .
C42 C 0.34017(16) 0.69693(15) 0.78187(15) 0.0306(4) Uani 1 1 d . . . . .
H42 H 0.372657 0.623476 0.797937 0.037 Uiso 1 1 calc R U . . .
C43 C 0.28736(16) 0.72563(17) 0.87421(16) 0.0353(4) Uani 1 1 d . . . . .
H43 H 0.284315 0.672203 0.952529 0.042 Uiso 1 1 calc R U . . .
C44 C 0.23916(15) 0.83227(17) 0.85188(17) 0.0351(4) Uani 1 1 d . . . . .
H44 H 0.201316 0.851531 0.915048 0.042 Uiso 1 1 calc R U . . .
C45 C 0.24628(15) 0.91048(16) 0.73757(17) 0.0337(4) Uani 1 1 d . . . . .
H45 H 0.214717 0.984194 0.721968 0.040 Uiso 1 1 calc R U . . .
C46 C 0.29924(14) 0.88193(14) 0.64556(16) 0.0269(4) Uani 1 1 d . . . . .
H46 H 0.303614 0.936587 0.567288 0.032 Uiso 1 1 calc R U . . .
C51 C 0.67400(16) 0.16142(17) 0.92990(16) 0.0342(4) Uani 1 1 d . . . . .
H51A H 0.693723 0.232373 0.919375 0.051 Uiso 1 1 calc R U . . .
H51B H 0.733112 0.104494 0.946046 0.051 Uiso 1 1 calc R U . . .
H51C H 0.606678 0.135645 0.996212 0.051 Uiso 1 1 calc R U . . .
C52 C 0.77871(14) 0.23597(14) 0.66836(15) 0.0273(4) Uani 1 1 d . . . . .
H52A H 0.766061 0.252773 0.595328 0.041 Uiso 1 1 calc R U . . .
H52B H 0.837805 0.178289 0.681103 0.041 Uiso 1 1 calc R U . . .
H52C H 0.799178 0.304535 0.662242 0.041 Uiso 1 1 calc R U . . .
C53 C 0.60807(13) 0.05439(13) 0.80801(13) 0.0210(3) Uani 1 1 d . . . . .
C54 C 0.62649(16) -0.04671(15) 0.89035(16) 0.0332(4) Uani 1 1 d . . . . .
H54A H 0.662326 -0.053195 0.942234 0.040 Uiso 1 1 calc R U . . .
H54B H 0.603790 -0.112258 0.897128 0.040 Uiso 1 1 calc R U . . .
C61 C 0.45430(16) 1.06849(14) 0.30008(18) 0.0330(4) Uani 1 1 d . . . . .
H61A H 0.377369 1.093948 0.320289 0.049 Uiso 1 1 calc R U . . .
H61B H 0.495452 1.125674 0.223862 0.049 Uiso 1 1 calc R U . . .
H61C H 0.484351 1.056686 0.360916 0.049 Uiso 1 1 calc R U . . .
C62 C 0.61019(13) 0.88584(14) 0.24423(16) 0.0275(4) Uani 1 1 d . . . . .
H62A H 0.645293 0.874671 0.301016 0.041 Uiso 1 1 calc R U . . .
H62B H 0.648537 0.942747 0.166117 0.041 Uiso 1 1 calc R U . . .
H62C H 0.613152 0.814664 0.240953 0.041 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Si1 O7 1.6009(11) . ?
Si1 O1 1.6165(11) . ?
Si1 O5 1.6281(11) 2_666 ?
Si1 C11 1.8499(16) . ?
Si2 O2 1.6008(11) . ?
Si2 O3 1.6086(11) . ?
Si2 O1 1.6145(11) . ?
Si2 C21 1.837(5) . ?
Si2 C21A 1.870(5) . ?
Si3 O4 1.6130(11) 2_666 ?
Si3 O2 1.6129(11) . ?
Si3 O5 1.6253(11) . ?
Si3 C31 1.8413(16) . ?
Si4 O6 1.6013(11) . ?
Si4 O3 1.6188(11) . ?
Si4 O4 1.6209(12) . ?
Si4 C41 1.8514(16) . ?
Si5 O7 1.6412(11) . ?
Si5 C52 1.8522(17) . ?
Si5 C51 1.8537(17) . ?
Si5 C53 1.8645(17) . ?
Si6 O6 1.6477(11) . ?
Si6 C61 1.8580(17) . ?
Si6 C62 1.8605(17) . ?
Si6 C53 1.8653(17) 2_666 ?
C11 C12 1.394(2) . ?
C11 C16 1.397(2) . ?
C12 C13 1.388(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.374(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(2) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.389(9) . ?
C21 C22 1.399(8) . ?
C22 C23 1.397(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.371(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.364(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(13) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C21A C22A 1.369(8) . ?
C21A C26A 1.402(10) . ?
C22A C23A 1.390(8) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.366(9) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.356(10) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.410(14) . ?
C25A H25A 0.9500 . ?
C26A H26A 0.9500 . ?
C31 C32 1.384(3) . ?
C31 C36 1.389(2) . ?
C32 C33 1.393(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.364(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.357(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.398(2) . ?
C41 C46 1.398(2) . ?
C42 C43 1.389(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.385(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.380(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.384(2) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.333(2) . ?
C54 H54A 0.9500 . ?
C54 H54B 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
O7 Si1 O1 106.78(6) . . ?
O7 Si1 O5 110.38(6) . 2_666 ?
O1 Si1 O5 109.89(6) . 2_666 ?
O7 Si1 C11 111.87(6) . . ?
O1 Si1 C11 109.58(7) . . ?
O5 Si1 C11 108.33(6) 2_666 . ?
O2 Si2 O3 109.49(6) . . ?
O2 Si2 O1 108.13(6) . . ?
O3 Si2 O1 109.58(6) . . ?
O2 Si2 C21 116.61(16) . . ?
O3 Si2 C21 104.23(16) . . ?
O1 Si2 C21 108.63(15) . . ?
O2 Si2 C21A 104.06(15) . . ?
O3 Si2 C21A 112.96(15) . . ?
O1 Si2 C21A 112.35(14) . . ?
O4 Si3 O2 110.42(6) 2_666 . ?
O4 Si3 O5 109.82(6) 2_666 . ?
O2 Si3 O5 107.29(6) . . ?
O4 Si3 C31 108.16(7) 2_666 . ?
O2 Si3 C31 109.32(7) . . ?
O5 Si3 C31 111.84(7) . . ?
O6 Si4 O3 108.81(6) . . ?
O6 Si4 O4 110.25(6) . . ?
O3 Si4 O4 108.93(6) . . ?
O6 Si4 C41 109.15(7) . . ?
O3 Si4 C41 109.12(7) . . ?
O4 Si4 C41 110.54(7) . . ?
O7 Si5 C52 108.65(7) . . ?
O7 Si5 C51 109.23(7) . . ?
C52 Si5 C51 109.15(9) . . ?
O7 Si5 C53 105.80(7) . . ?
C52 Si5 C53 111.31(7) . . ?
C51 Si5 C53 112.57(8) . . ?
O6 Si6 C61 107.77(8) . . ?
O6 Si6 C62 108.71(7) . . ?
C61 Si6 C62 111.44(8) . . ?
O6 Si6 C53 106.10(6) . 2_666 ?
C61 Si6 C53 111.58(8) . 2_666 ?
C62 Si6 C53 110.99(8) . 2_666 ?
Si2 O1 Si1 155.36(8) . . ?
Si2 O2 Si3 164.03(8) . . ?
Si2 O3 Si4 155.00(8) . . ?
Si3 O4 Si4 147.06(8) 2_666 . ?
Si3 O5 Si1 136.06(7) . 2_666 ?
Si4 O6 Si6 148.92(8) . . ?
Si1 O7 Si5 152.72(8) . . ?
C12 C11 C16 117.58(15) . . ?
C12 C11 Si1 120.39(13) . . ?
C16 C11 Si1 122.00(13) . . ?
C13 C12 C11 120.81(18) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 C12 120.76(19) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C15 C14 C13 119.48(18) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 120.21(19) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 121.16(18) . . ?
C15 C16 H16 119.4 . . ?
C11 C16 H16 119.4 . . ?
C26 C21 C22 117.2(6) . . ?
C26 C21 Si2 123.2(5) . . ?
C22 C21 Si2 119.4(4) . . ?
C21 C22 C23 121.1(6) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 119.3(6) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C25 C24 C23 120.4(6) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.6(7) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C25 C26 C21 121.4(7) . . ?
C25 C26 H26 119.3 . . ?
C21 C26 H26 119.3 . . ?
C22A C21A C26A 118.0(5) . . ?
C22A C21A Si2 125.1(4) . . ?
C26A C21A Si2 116.8(5) . . ?
C21A C22A C23A 121.3(5) . . ?
C21A C22A H22A 119.4 . . ?
C23A C22A H22A 119.4 . . ?
C24A C23A C22A 120.3(5) . . ?
C24A C23A H23A 119.8 . . ?
C22A C23A H23A 119.8 . . ?
C25A C24A C23A 120.3(5) . . ?
C25A C24A H24A 119.8 . . ?
C23A C24A H24A 119.8 . . ?
C24A C25A C26A 119.9(6) . . ?
C24A C25A H25A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C21A C26A C25A 120.1(6) . . ?
C21A C26A H26A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C32 C31 C36 117.40(17) . . ?
C32 C31 Si3 121.01(14) . . ?
C36 C31 Si3 121.46(13) . . ?
C31 C32 C33 121.2(2) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C34 C33 C32 119.8(2) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C35 C34 C33 120.06(19) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.6(2) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 120.9(2) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C42 C41 C46 117.63(15) . . ?
C42 C41 Si4 121.01(12) . . ?
C46 C41 Si4 121.32(12) . . ?
C43 C42 C41 121.21(17) . . ?
C43 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
C44 C43 C42 119.88(17) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C45 C44 C43 119.80(17) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 120.26(17) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.18(16) . . ?
C45 C46 H46 119.4 . . ?
C41 C46 H46 119.4 . . ?
Si5 C51 H51A 109.5 . . ?
Si5 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si5 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si5 C52 H52A 109.5 . . ?
Si5 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si5 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 Si5 120.39(14) . . ?
C54 C53 Si6 119.42(13) . 2_666 ?
Si5 C53 Si6 120.17(8) . 2_666 ?
C53 C54 H54A 120.0 . . ?
C53 C54 H54B 120.0 . . ?
H54A C54 H54B 120.0 . . ?
Si6 C61 H61A 109.5 . . ?
Si6 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
Si6 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si6 C62 H62A 109.5 . . ?
Si6 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si6 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?

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
O2 Si2 O1 Si1 141.43(18) . . . . ?
O3 Si2 O1 Si1 22.1(2) . . . . ?
C21 Si2 O1 Si1 -91.1(3) . . . . ?
C21A Si2 O1 Si1 -104.3(2) . . . . ?
O7 Si1 O1 Si2 -162.98(18) . . . . ?
O5 Si1 O1 Si2 -43.2(2) 2_666 . . . ?
C11 Si1 O1 Si2 75.7(2) . . . . ?
O3 Si2 O2 Si3 143.8(3) . . . . ?
O1 Si2 O2 Si3 24.5(3) . . . . ?
C21 Si2 O2 Si3 -98.2(3) . . . . ?
C21A Si2 O2 Si3 -95.2(3) . . . . ?
O4 Si3 O2 Si2 -20.0(3) 2_666 . . . ?
O5 Si3 O2 Si2 -139.7(3) . . . . ?
C31 Si3 O2 Si2 98.9(3) . . . . ?
O2 Si2 O3 Si4 -112.32(18) . . . . ?
O1 Si2 O3 Si4 6.1(2) . . . . ?
C21 Si2 O3 Si4 122.2(2) . . . . ?
C21A Si2 O3 Si4 132.2(2) . . . . ?
O6 Si4 O3 Si2 147.97(17) . . . . ?
O4 Si4 O3 Si2 27.7(2) . . . . ?
C41 Si4 O3 Si2 -93.02(19) . . . . ?
O6 Si4 O4 Si3 -147.53(14) . . . 2_666 ?
O3 Si4 O4 Si3 -28.20(17) . . . 2_666 ?
C41 Si4 O4 Si3 91.70(16) . . . 2_666 ?
O4 Si3 O5 Si1 -81.95(11) 2_666 . . 2_666 ?
O2 Si3 O5 Si1 38.10(12) . . . 2_666 ?
C31 Si3 O5 Si1 157.96(10) . . . 2_666 ?
O3 Si4 O6 Si6 -126.62(14) . . . . ?
O4 Si4 O6 Si6 -7.21(16) . . . . ?
C41 Si4 O6 Si6 114.39(14) . . . . ?
C61 Si6 O6 Si4 -100.63(15) . . . . ?
C62 Si6 O6 Si4 20.29(17) . . . . ?
C53 Si6 O6 Si4 139.73(14) 2_666 . . . ?
O1 Si1 O7 Si5 170.19(16) . . . . ?
O5 Si1 O7 Si5 50.77(18) 2_666 . . . ?
C11 Si1 O7 Si5 -69.94(18) . . . . ?
C52 Si5 O7 Si1 -84.09(18) . . . . ?
C51 Si5 O7 Si1 34.9(2) . . . . ?
C53 Si5 O7 Si1 156.29(16) . . . . ?
O7 Si1 C11 C12 -93.31(14) . . . . ?
O1 Si1 C11 C12 24.91(15) . . . . ?
O5 Si1 C11 C12 144.80(13) 2_666 . . . ?
O7 Si1 C11 C16 84.88(14) . . . . ?
O1 Si1 C11 C16 -156.90(13) . . . . ?
O5 Si1 C11 C16 -37.01(15) 2_666 . . . ?
C16 C11 C12 C13 0.3(3) . . . . ?
Si1 C11 C12 C13 178.54(14) . . . . ?
C11 C12 C13 C14 0.4(3) . . . . ?
C12 C13 C14 C15 -0.7(3) . . . . ?
C13 C14 C15 C16 0.4(3) . . . . ?
C14 C15 C16 C11 0.2(3) . . . . ?
C12 C11 C16 C15 -0.6(3) . . . . ?
Si1 C11 C16 C15 -178.79(14) . . . . ?
O2 Si2 C21 C26 -144.3(6) . . . . ?
O3 Si2 C21 C26 -23.5(7) . . . . ?
O1 Si2 C21 C26 93.2(7) . . . . ?
O2 Si2 C21 C22 40.7(5) . . . . ?
O3 Si2 C21 C22 161.5(4) . . . . ?
O1 Si2 C21 C22 -81.7(4) . . . . ?
C26 C21 C22 C23 -1.0(10) . . . . ?
Si2 C21 C22 C23 174.2(5) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C22 C23 C24 C25 0.4(11) . . . . ?
C23 C24 C25 C26 1.0(12) . . . . ?
C24 C25 C26 C21 -2.4(14) . . . . ?
C22 C21 C26 C25 2.4(13) . . . . ?
Si2 C21 C26 C25 -172.7(7) . . . . ?
O2 Si2 C21A C22A 25.3(5) . . . . ?
O3 Si2 C21A C22A 144.0(4) . . . . ?
O1 Si2 C21A C22A -91.4(4) . . . . ?
O2 Si2 C21A C26A -155.7(6) . . . . ?
O3 Si2 C21A C26A -37.0(6) . . . . ?
O1 Si2 C21A C26A 87.6(6) . . . . ?
C26A C21A C22A C23A 1.9(9) . . . . ?
Si2 C21A C22A C23A -179.2(4) . . . . ?
C21A C22A C23A C24A -0.6(9) . . . . ?
C22A C23A C24A C25A -0.5(11) . . . . ?
C23A C24A C25A C26A 0.2(13) . . . . ?
C22A C21A C26A C25A -2.2(13) . . . . ?
Si2 C21A C26A C25A 178.8(7) . . . . ?
C24A C25A C26A C21A 1.2(15) . . . . ?
O4 Si3 C31 C32 176.95(17) 2_666 . . . ?
O2 Si3 C31 C32 56.67(19) . . . . ?
O5 Si3 C31 C32 -61.99(18) . . . . ?
O4 Si3 C31 C36 1.08(16) 2_666 . . . ?
O2 Si3 C31 C36 -119.19(14) . . . . ?
O5 Si3 C31 C36 122.14(14) . . . . ?
C36 C31 C32 C33 1.5(3) . . . . ?
Si3 C31 C32 C33 -174.5(2) . . . . ?
C31 C32 C33 C34 -1.1(4) . . . . ?
C32 C33 C34 C35 -0.3(4) . . . . ?
C33 C34 C35 C36 1.1(3) . . . . ?
C34 C35 C36 C31 -0.6(3) . . . . ?
C32 C31 C36 C35 -0.7(3) . . . . ?
Si3 C31 C36 C35 175.29(15) . . . . ?
O6 Si4 C41 C42 178.82(13) . . . . ?
O3 Si4 C41 C42 60.03(15) . . . . ?
O4 Si4 C41 C42 -59.76(15) . . . . ?
O6 Si4 C41 C46 1.12(16) . . . . ?
O3 Si4 C41 C46 -117.67(14) . . . . ?
O4 Si4 C41 C46 122.55(13) . . . . ?
C46 C41 C42 C43 1.1(3) . . . . ?
Si4 C41 C42 C43 -176.68(14) . . . . ?
C41 C42 C43 C44 0.4(3) . . . . ?
C42 C43 C44 C45 -1.7(3) . . . . ?
C43 C44 C45 C46 1.5(3) . . . . ?
C44 C45 C46 C41 0.1(3) . . . . ?
C42 C41 C46 C45 -1.3(2) . . . . ?
Si4 C41 C46 C45 176.45(13) . . . . ?
O7 Si5 C53 C54 -139.64(14) . . . . ?
C52 Si5 C53 C54 102.51(15) . . . . ?
C51 Si5 C53 C54 -20.40(17) . . . . ?
O7 Si5 C53 Si6 39.00(10) . . . 2_666 ?
C52 Si5 C53 Si6 -78.85(11) . . . 2_666 ?
C51 Si5 C53 Si6 158.23(9) . . . 2_666 ?

_refine_diff_density_max         0.360
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.043



