# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2184824'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2023-04-14 deposited with the CCDC.	2023-06-12 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            'C72 H108 O14 Si16'
_chemical_formula_weight         1647.02

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      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                   14.3705(4)
_cell_length_b                   14.5795(4)
_cell_length_c                   24.7232(5)
_cell_angle_alpha                91.0701(18)
_cell_angle_beta                 94.006(2)
_cell_angle_gamma                119.020(3)
_cell_volume                     4510.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    25265
_cell_measurement_theta_min      3.4220
_cell_measurement_theta_max      76.2100

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_F_000             1752
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    2.586
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.38992
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.108a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      120(2)
_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 10.5384
_diffrn_reflns_number            40198
_diffrn_reflns_av_unetI/netI     0.0582
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.473
_diffrn_reflns_theta_max         67.500
_diffrn_reflns_theta_full        67.500
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             16071
_reflns_number_gt                14238
_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 1.171.41.108a (Rigaku OD, 2021)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.108a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.108a (Rigaku OD, 2021)'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.0450P)²+22.5109P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16071
_refine_ls_number_parameters     995
_refine_ls_number_restraints     166
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0915
_refine_ls_wR_factor_ref         0.2088
_refine_ls_wR_factor_gt          0.2053
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.062
_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 0.40582(10) 0.84694(10) 0.16083(6) 0.0330(3) Uani 1 1 d . . . . .
O11 O 0.3803(3) 0.7894(3) 0.10233(15) 0.0412(8) Uani 1 1 d . . . . .
Si11 Si 0.31118(12) 0.73877(14) 0.04301(6) 0.0460(4) Uani 1 1 d . . . . .
C11A C 0.3972(5) 0.8079(7) -0.0118(3) 0.080(2) Uani 1 1 d . . . . .
H11A H 0.420323 0.883086 -0.007708 0.120 Uiso 1 1 calc R U . . .
H11B H 0.356614 0.779210 -0.047231 0.120 Uiso 1 1 calc R U . . .
H11C H 0.459945 0.797782 -0.009361 0.120 Uiso 1 1 calc R U . . .
C11B C 0.2698(5) 0.5966(6) 0.0388(3) 0.0680(19) Uani 1 1 d . . . . .
H11D H 0.333320 0.587837 0.042556 0.102 Uiso 1 1 calc R U . . .
H11E H 0.229647 0.564757 0.003609 0.102 Uiso 1 1 calc R U . . .
H11F H 0.224497 0.562121 0.068049 0.102 Uiso 1 1 calc R U . . .
C10 C 0.1903(4) 0.7570(5) 0.0386(2) 0.0482(13) Uani 1 1 d . . . . .
H10A H 0.211811 0.829079 0.052955 0.058 Uiso 1 1 calc R U . . .
H10B H 0.163882 0.750697 -0.000066 0.058 Uiso 1 1 calc R U . . .
C11 C 0.0984(4) 0.6785(4) 0.0697(2) 0.0465(13) Uani 1 1 d . . . . .
H11G H 0.125300 0.683199 0.108225 0.056 Uiso 1 1 calc R U . . .
H11H H 0.075236 0.606520 0.054643 0.056 Uiso 1 1 calc R U . . .
Si12 Si -0.02045(11) 0.69952(12) 0.06703(7) 0.0453(4) Uani 1 1 d . . . . .
H12 H -0.079951 0.639270 0.083421 0.054 Uiso 1 1 d R U . . .
C12 C 0.0140(5) 0.8222(5) 0.1071(3) 0.0565(15) Uani 1 1 d . . . . .
H12A H 0.074781 0.881462 0.092624 0.085 Uiso 1 1 calc R U . . .
H12B H 0.033002 0.815840 0.145163 0.085 Uiso 1 1 calc R U . . .
H12C H -0.047550 0.834256 0.104733 0.085 Uiso 1 1 calc R U . . .
C13 C -0.0658(5) 0.7045(6) -0.0050(3) 0.0592(16) Uani 1 1 d . . . . .
H13A H -0.127240 0.716750 -0.005894 0.089 Uiso 1 1 calc R U . . .
H13B H -0.086633 0.637682 -0.024904 0.089 Uiso 1 1 calc R U . . .
H13C H -0.007471 0.761820 -0.022006 0.089 Uiso 1 1 calc R U . . .
C14 C 0.4599(4) 0.9910(4) 0.1584(2) 0.0368(11) Uani 1 1 d . . . . .
C15 C 0.3913(5) 1.0311(5) 0.1455(3) 0.0508(14) Uani 1 1 d . . . . .
H15 H 0.317333 0.983874 0.136928 0.061 Uiso 1 1 calc R U . . .
C16 C 0.4284(5) 1.1385(5) 0.1449(3) 0.0596(17) Uani 1 1 d . . . . .
H16 H 0.380270 1.164109 0.135802 0.072 Uiso 1 1 calc R U . . .
C17 C 0.5352(5) 1.2074(5) 0.1576(3) 0.0568(15) Uani 1 1 d . . . . .
H17 H 0.560935 1.280987 0.157548 0.068 Uiso 1 1 calc R U . . .
C18 C 0.6051(5) 1.1697(5) 0.1704(3) 0.0541(15) Uani 1 1 d . . . . .
H18 H 0.678873 1.217391 0.179235 0.065 Uiso 1 1 calc R U . . .
C19 C 0.5675(4) 1.0621(4) 0.1705(2) 0.0455(13) Uani 1 1 d . . . . .
H19 H 0.616314 1.036928 0.178978 0.055 Uiso 1 1 calc R U . . .
Si2 Si 0.22740(9) 0.73276(9) 0.23788(5) 0.0301(3) Uani 1 1 d . . . . .
C21 C 0.1169(4) 0.7600(4) 0.2484(2) 0.0342(10) Uani 1 1 d . . . . .
C22 C 0.0105(4) 0.6801(4) 0.2456(2) 0.0449(13) Uani 1 1 d . . . . .
H22 H -0.006844 0.609983 0.235783 0.054 Uiso 1 1 calc R U . . .
C23 C -0.0702(4) 0.7020(5) 0.2572(3) 0.0561(16) Uani 1 1 d . . . . .
H23 H -0.142203 0.647014 0.254667 0.067 Uiso 1 1 calc R U . . .
C24 C -0.0466(5) 0.8019(5) 0.2721(3) 0.0565(16) Uani 1 1 d . . . . .
H24 H -0.102024 0.815921 0.280768 0.068 Uiso 1 1 calc R U . . .
C25 C 0.0567(5) 0.8821(5) 0.2745(3) 0.0537(15) Uani 1 1 d . . . . .
H25 H 0.072490 0.951844 0.284195 0.064 Uiso 1 1 calc R U . . .
C26 C 0.1384(4) 0.8622(4) 0.2629(2) 0.0418(12) Uani 1 1 d . . . . .
H26 H 0.209765 0.918494 0.264836 0.050 Uiso 1 1 calc R U . . .
Si3 Si 0.40776(10) 0.84867(10) 0.33085(6) 0.0322(3) Uani 1 1 d . . . . .
O31 O 0.4120(3) 0.8032(3) 0.38884(15) 0.0398(8) Uani 1 1 d . . . . .
Si31 Si 0.48725(12) 0.81965(12) 0.44511(6) 0.0443(3) Uani 1 1 d . . . . .
C31A C 0.4846(6) 0.6942(5) 0.4594(3) 0.0616(18) Uani 1 1 d . . . . .
H31A H 0.410562 0.639074 0.461515 0.092 Uiso 1 1 calc R U . . .
H31B H 0.526262 0.702675 0.494060 0.092 Uiso 1 1 calc R U . . .
H31C H 0.515529 0.674608 0.430245 0.092 Uiso 1 1 calc R U . . .
C31B C 0.4295(6) 0.8550(6) 0.5019(3) 0.0632(17) Uani 1 1 d . . . . .
H31D H 0.420395 0.915400 0.492656 0.095 Uiso 1 1 calc R U . . .
H31E H 0.477872 0.873062 0.535078 0.095 Uiso 1 1 calc R U . . .
H31F H 0.360003 0.795108 0.507744 0.095 Uiso 1 1 calc R U . . .
C30 C 0.6278(5) 0.9257(5) 0.4338(3) 0.0597(16) Uani 1 1 d . . . . .
H30A H 0.652504 0.900531 0.403375 0.072 Uiso 1 1 calc R U . . .
H30B H 0.624265 0.988645 0.422301 0.072 Uiso 1 1 calc R U . . .
C31 C 0.7102(5) 0.9584(6) 0.4813(3) 0.0691(19) Uani 1 1 d . . . . .
H31G H 0.707251 0.894497 0.496023 0.083 Uiso 1 1 calc R U . . .
H31H H 0.691112 0.992950 0.509955 0.083 Uiso 1 1 calc R U . . .
Si32 Si 0.85005(16) 1.04901(19) 0.46647(10) 0.0741(6) Uani 1 1 d . . . . .
H32 H 0.874250 1.011697 0.441465 0.089 Uiso 1 1 d R U . . .
C32 C 0.8635(8) 1.1659(7) 0.4366(4) 0.103(3) Uani 1 1 d . . . . .
H32A H 0.821696 1.146991 0.401188 0.154 Uiso 1 1 calc R U . . .
H32B H 0.938890 1.213467 0.431857 0.154 Uiso 1 1 calc R U . . .
H32C H 0.837217 1.200988 0.460506 0.154 Uiso 1 1 calc R U . . .
C33 C 0.9456(8) 1.1017(8) 0.5310(5) 0.110(3) Uani 1 1 d . . . . .
H33A H 1.014906 1.158351 0.522209 0.165 Uiso 1 1 calc R U . . .
H33B H 0.954828 1.044931 0.546390 0.165 Uiso 1 1 calc R U . . .
H33C H 0.915962 1.128974 0.557463 0.165 Uiso 1 1 calc R U . . .
C34 C 0.4009(4) 0.9724(4) 0.3378(2) 0.0370(11) Uani 1 1 d . . . . .
C35 C 0.4554(5) 1.0558(4) 0.3064(3) 0.0571(16) Uani 1 1 d . . . . .
H35 H 0.502282 1.052362 0.282163 0.069 Uiso 1 1 calc R U . . .
C36 C 0.4438(6) 1.1446(5) 0.3091(3) 0.073(2) Uani 1 1 d . . . . .
H36 H 0.480796 1.200374 0.286236 0.088 Uiso 1 1 calc R U . . .
C37 C 0.3782(6) 1.1516(5) 0.3452(3) 0.0625(17) Uani 1 1 d . . . . .
H37 H 0.372007 1.213438 0.348333 0.075 Uiso 1 1 calc R U . . .
C38 C 0.3225(6) 1.0699(5) 0.3762(3) 0.0618(17) Uani 1 1 d . . . . .
H38 H 0.275465 1.073505 0.400199 0.074 Uiso 1 1 calc R U . . .
C39 C 0.3343(5) 0.9808(5) 0.3727(3) 0.0553(15) Uani 1 1 d . . . . .
H39 H 0.295453 0.924427 0.394875 0.066 Uiso 1 1 calc R U . . .
Si4 Si 0.55166(9) 0.82558(9) 0.25308(5) 0.0297(3) Uani 1 1 d . . . . .
C41 C 0.6976(3) 0.9099(4) 0.2502(2) 0.0315(10) Uani 1 1 d . . . . .
C42 C 0.7568(4) 0.9944(5) 0.2873(3) 0.0565(16) Uani 1 1 d . . . . .
H42 H 0.722656 1.009175 0.315059 0.068 Uiso 1 1 calc R U . . .
C43 C 0.8668(5) 1.0584(5) 0.2842(3) 0.070(2) Uani 1 1 d . . . . .
H43 H 0.906545 1.116203 0.309902 0.084 Uiso 1 1 calc R U . . .
C44 C 0.9170(4) 1.0385(4) 0.2449(3) 0.0486(14) Uani 1 1 d . . . . .
H44 H 0.991475 1.082575 0.243016 0.058 Uiso 1 1 calc R U . . .
C45 C 0.8607(4) 0.9556(4) 0.2084(3) 0.0524(15) Uani 1 1 d . . . . .
H45 H 0.895953 0.941184 0.181110 0.063 Uiso 1 1 calc R U . . .
C46 C 0.7517(4) 0.8919(4) 0.2110(3) 0.0511(14) Uani 1 1 d . . . . .
H46 H 0.713261 0.834338 0.185054 0.061 Uiso 1 1 calc R U . . .
Si5 Si 0.36123(10) 0.46793(9) 0.18591(5) 0.0313(3) Uani 1 1 d . . . . .
O51 O 0.4346(3) 0.5147(3) 0.13667(15) 0.0401(8) Uani 1 1 d . . . . .
Si51 Si 0.55462(11) 0.56157(11) 0.11565(6) 0.0387(3) Uani 1 1 d D . . . .
C51A C 0.6544(4) 0.5869(5) 0.1739(3) 0.0581(16) Uani 1 1 d D . . . .
H51A H 0.657424 0.641052 0.199221 0.087 Uiso 1 1 calc R U . . .
H51B H 0.724815 0.611111 0.160657 0.087 Uiso 1 1 calc R U . . .
H51C H 0.633617 0.522017 0.192629 0.087 Uiso 1 1 calc R U . . .
C51B C 0.5503(6) 0.4621(5) 0.0662(3) 0.0656(18) Uani 1 1 d D . . . .
H51D H 0.541357 0.400321 0.085142 0.098 Uiso 1 1 calc R U . . .
H51E H 0.617216 0.492089 0.048625 0.098 Uiso 1 1 calc R U . . .
H51F H 0.490193 0.441454 0.038574 0.098 Uiso 1 1 calc R U . . .
C50 C 0.5839(4) 0.6860(4) 0.0826(2) 0.0393(11) Uani 1 1 d D . . . .
H50A H 0.535059 0.668050 0.049134 0.047 Uiso 1 1 calc R U . . .
H50B H 0.567681 0.729476 0.107419 0.047 Uiso 1 1 calc R U . . .
C51 C 0.6996(4) 0.7529(4) 0.0677(2) 0.0447(13) Uani 1 1 d D . . . .
H51G H 0.717263 0.709070 0.043955 0.054 Uiso 1 1 calc R U . . .
H51H H 0.748686 0.774022 0.101282 0.054 Uiso 1 1 calc R U . . .
Si52 Si 0.72351(12) 0.87352(12) 0.03229(7) 0.0498(4) Uani 1 1 d D . . . .
H52 H 0.684713 0.851831 -0.004843 0.060 Uiso 1 1 d R U . . .
C52 C 0.6738(5) 0.9515(5) 0.0696(3) 0.0644(18) Uani 1 1 d D . . . .
H52A H 0.597527 0.907237 0.073844 0.097 Uiso 1 1 calc R U . . .
H52B H 0.684286 1.012127 0.049040 0.097 Uiso 1 1 calc R U . . .
H52C H 0.713428 0.976058 0.105519 0.097 Uiso 1 1 calc R U . . .
C53 C 0.8684(5) 0.9588(5) 0.0253(3) 0.0684(19) Uani 1 1 d D . . . .
H53A H 0.906163 0.988435 0.061249 0.103 Uiso 1 1 calc R U . . .
H53B H 0.878428 1.015977 0.002005 0.103 Uiso 1 1 calc R U . . .
H53C H 0.897123 0.917058 0.009040 0.103 Uiso 1 1 calc R U . . .
C54 C 0.2866(4) 0.3219(4) 0.1803(2) 0.0345(10) Uani 1 1 d . . . . .
C55 C 0.2283(5) 0.2681(4) 0.1316(3) 0.0515(14) Uani 1 1 d . . . . .
H55 H 0.230529 0.306182 0.100484 0.062 Uiso 1 1 calc R U . . .
C56 C 0.1669(5) 0.1590(5) 0.1284(3) 0.0567(16) Uani 1 1 d . . . . .
H56 H 0.127298 0.123137 0.095155 0.068 Uiso 1 1 calc R U . . .
C57 C 0.1633(4) 0.1032(4) 0.1727(3) 0.0538(15) Uani 1 1 d . . . . .
H57 H 0.120947 0.028818 0.170273 0.065 Uiso 1 1 calc R U . . .
C58 C 0.2211(5) 0.1547(4) 0.2209(3) 0.0524(14) Uani 1 1 d . . . . .
H58 H 0.219012 0.115893 0.251642 0.063 Uiso 1 1 calc R U . . .
C59 C 0.2825(4) 0.2637(4) 0.2244(2) 0.0444(12) Uani 1 1 d . . . . .
H59 H 0.322336 0.298700 0.257706 0.053 Uiso 1 1 calc R U . . .
Si6 Si 0.17568(10) 0.49883(9) 0.21508(6) 0.0320(3) Uani 1 1 d . . . . .
C61 C 0.0481(4) 0.4020(4) 0.1772(2) 0.0357(10) Uani 1 1 d . . . . .
C62 C -0.0175(4) 0.4334(4) 0.1483(2) 0.0460(13) Uani 1 1 d . . . . .
H62 H 0.002640 0.505844 0.148668 0.055 Uiso 1 1 calc R U . . .
C63 C -0.1118(5) 0.3605(5) 0.1190(3) 0.0546(15) Uani 1 1 d . . . . .
H63 H -0.154779 0.383320 0.098920 0.066 Uiso 1 1 calc R U . . .
C64 C -0.1427(4) 0.2557(4) 0.1190(2) 0.0470(13) Uani 1 1 d . . . . .
H64 H -0.207555 0.205709 0.099183 0.056 Uiso 1 1 calc R U . . .
C65 C -0.0800(4) 0.2228(4) 0.1476(3) 0.0525(15) Uani 1 1 d . . . . .
H65 H -0.101040 0.150124 0.147122 0.063 Uiso 1 1 calc R U . . .
C66 C 0.0139(4) 0.2952(4) 0.1772(3) 0.0472(13) Uani 1 1 d . . . . .
H66 H 0.055424 0.271260 0.197701 0.057 Uiso 1 1 calc R U . . .
Si7 Si 0.25208(10) 0.49764(10) 0.33387(6) 0.0328(3) Uani 1 1 d . . . . .
O71 O 0.2106(3) 0.5616(3) 0.36912(16) 0.0414(8) Uani 1 1 d . . . . .
Si71 Si 0.11701(12) 0.55426(13) 0.40593(8) 0.0519(4) Uani 1 1 d D U . . .
C71A C 0.1045(13) 0.4728(11) 0.4646(5) 0.045(5) Uani 0.281(9) 1 d D U P A 1
H71A H 0.039416 0.404216 0.460165 0.068 Uiso 0.281(9) 1 d R U P A 1
H71B H 0.103336 0.511426 0.497185 0.068 Uiso 0.281(9) 1 d R U P A 1
H71C H 0.167146 0.462516 0.468445 0.068 Uiso 0.281(9) 1 d R U P A 1
C71B C 0.1624(15) 0.6920(8) 0.4300(8) 0.112(15) Uani 0.281(9) 1 d D U P A 1
H71D H 0.238077 0.724236 0.443355 0.169 Uiso 0.281(9) 1 d R U P A 1
H71E H 0.121447 0.696606 0.458955 0.169 Uiso 0.281(9) 1 d R U P A 1
H71F H 0.154417 0.729156 0.398895 0.169 Uiso 0.281(9) 1 d R U P A 1
C70 C -0.0120(8) 0.4984(6) 0.3621(6) 0.064(6) Uani 0.281(9) 1 d D U P A 1
H70A H -0.064410 0.496901 0.386516 0.077 Uiso 0.281(9) 1 d R U P A 1
H70B H -0.007830 0.545551 0.332916 0.077 Uiso 0.281(9) 1 d R U P A 1
C71 C -0.0586(7) 0.3832(9) 0.3407(6) 0.059(6) Uani 0.281(9) 1 d D U P A 1
H71G H -0.043505 0.340616 0.367003 0.071 Uiso 0.281(9) 1 d R U P A 1
H71H H -0.019675 0.387546 0.308523 0.071 Uiso 0.281(9) 1 d R U P A 1
Si72 Si -0.2054(4) 0.3158(6) 0.3204(3) 0.061(2) Uani 0.281(9) 1 d D U P A 1
H72 H -0.245033 0.297996 0.353665 0.073 Uiso 0.281(9) 1 d R U P A 1
C72 C -0.2528(12) 0.1846(12) 0.2845(12) 0.32(4) Uani 0.281(9) 1 d D U P A 1
H72A H -0.288891 0.185800 0.249616 0.483 Uiso 0.281(9) 1 d R U P A 1
H72B H -0.301711 0.124440 0.303996 0.483 Uiso 0.281(9) 1 d R U P A 1
H72C H -0.189511 0.178310 0.278086 0.483 Uiso 0.281(9) 1 d R U P A 1
C73 C -0.2397(13) 0.3974(14) 0.2750(9) 0.059(7) Uani 0.281(9) 1 d D U P A 1
H73A H -0.209977 0.406879 0.239749 0.089 Uiso 0.281(9) 1 d R U P A 1
H73B H -0.210447 0.465789 0.294919 0.089 Uiso 0.281(9) 1 d R U P A 1
H73C H -0.317647 0.365219 0.269339 0.089 Uiso 0.281(9) 1 d R U P A 1
C71C C 0.1491(10) 0.5211(10) 0.4756(5) 0.074(3) Uani 0.719(9) 1 d . U P A 2
H71I H 0.137692 0.449177 0.475486 0.111 Uiso 0.719(9) 1 d R U P A 2
H71J H 0.105332 0.529707 0.501776 0.111 Uiso 0.719(9) 1 d R U P A 2
H71K H 0.224682 0.570817 0.485876 0.111 Uiso 0.719(9) 1 d R U P A 2
C71D C 0.1261(7) 0.6840(6) 0.4108(4) 0.047(2) Uani 0.719(9) 1 d . U P A 2
H71L H 0.199409 0.737195 0.423421 0.070 Uiso 0.719(9) 1 d R U P A 2
H71M H 0.077269 0.683085 0.436841 0.070 Uiso 0.719(9) 1 d R U P A 2
H71N H 0.106199 0.701015 0.375211 0.070 Uiso 0.719(9) 1 d R U P A 2
C70' C -0.0131(9) 0.4492(9) 0.3826(5) 0.084(3) Uani 0.719(9) 1 d D U P A 2
H70C H -0.004973 0.388839 0.369982 0.100 Uiso 0.719(9) 1 d R U P A 2
H70D H -0.057553 0.427389 0.413712 0.100 Uiso 0.719(9) 1 d R U P A 2
C71' C -0.0701(10) 0.4714(10) 0.3360(5) 0.096(4) Uani 0.719(9) 1 d D U P A 2
H71O H -0.027656 0.488937 0.304220 0.115 Uiso 0.719(9) 1 d R U P A 2
H71P H -0.073776 0.534747 0.347920 0.115 Uiso 0.719(9) 1 d R U P A 2
Si73 Si -0.2118(3) 0.3623(4) 0.3163(2) 0.0950(14) Uani 0.719(9) 1 d . U P A 2
H73 H -0.253143 0.341337 0.349028 0.114 Uiso 0.719(9) 1 d R U P A 2
C72' C -0.2039(16) 0.2547(14) 0.2894(8) 0.139(6) Uani 0.719(9) 1 d . U P A 2
H72D H -0.273548 0.207628 0.269831 0.208 Uiso 0.719(9) 1 d R U P A 2
H72E H -0.188878 0.217458 0.318371 0.208 Uiso 0.719(9) 1 d R U P A 2
H72F H -0.148238 0.277438 0.264141 0.208 Uiso 0.719(9) 1 d R U P A 2
C73' C -0.2740(10) 0.4139(9) 0.2705(7) 0.088(4) Uani 0.719(9) 1 d . . P A 2
H73D H -0.228224 0.445707 0.241027 0.132 Uiso 0.719(9) 1 d R U P A 2
H73E H -0.287664 0.466177 0.288347 0.132 Uiso 0.719(9) 1 d R U P A 2
H73F H -0.341854 0.354157 0.255507 0.132 Uiso 0.719(9) 1 d R U P A 2
C74 C 0.2312(4) 0.3780(4) 0.3686(2) 0.0365(11) Uani 1 1 d . . . . .
C75 C 0.2830(5) 0.3849(5) 0.4195(3) 0.0517(14) Uani 1 1 d . . . . .
H75 H 0.336610 0.451863 0.434690 0.062 Uiso 1 1 calc R U . . .
C76 C 0.2586(5) 0.2972(5) 0.4486(3) 0.0571(16) Uani 1 1 d . . . . .
H76 H 0.295442 0.304104 0.483166 0.069 Uiso 1 1 calc R U . . .
C77 C 0.1815(5) 0.2009(5) 0.4275(3) 0.0580(17) Uani 1 1 d . . . . .
H77 H 0.163318 0.140700 0.447797 0.070 Uiso 1 1 calc R U . . .
C78 C 0.1297(5) 0.1902(5) 0.3770(3) 0.0602(17) Uani 1 1 d . . . . .
H78 H 0.077567 0.122565 0.361926 0.072 Uiso 1 1 calc R U . . .
C79 C 0.1540(4) 0.2788(4) 0.3477(3) 0.0472(13) Uani 1 1 d . . . . .
H79 H 0.117052 0.271188 0.313112 0.057 Uiso 1 1 calc R U . . .
Si8 Si 0.47660(9) 0.59516(9) 0.29214(5) 0.0304(3) Uani 1 1 d . . . . .
C81 C 0.5830(4) 0.5914(4) 0.3373(2) 0.0413(12) Uani 1 1 d . . . . .
C82 C 0.5602(6) 0.5064(6) 0.3683(3) 0.0656(18) Uani 1 1 d . . . . .
H82 H 0.490141 0.447831 0.365059 0.079 Uiso 1 1 calc R U . . .
C83 C 0.6393(7) 0.5057(8) 0.4043(4) 0.094(3) Uani 1 1 d . . . . .
H83 H 0.622032 0.447371 0.425931 0.113 Uiso 1 1 calc R U . . .
C84 C 0.7407(6) 0.5879(9) 0.4086(3) 0.093(3) Uani 1 1 d . . . . .
H84 H 0.794195 0.587115 0.433055 0.111 Uiso 1 1 calc R U . . .
C85 C 0.7644(5) 0.6700(8) 0.3781(3) 0.089(3) Uani 1 1 d . . . . .
H85 H 0.835612 0.726668 0.380466 0.107 Uiso 1 1 calc R U . . .
C86 C 0.6869(5) 0.6735(6) 0.3431(3) 0.0611(17) Uani 1 1 d . . . . .
H86 H 0.705377 0.733580 0.322654 0.073 Uiso 1 1 calc R U . . .
O1 O 0.2959(2) 0.8020(3) 0.19038(15) 0.0393(8) Uani 1 1 d . . . . .
O2 O 0.3053(2) 0.7604(2) 0.29339(14) 0.0338(7) Uani 1 1 d . . . . .
O3 O 0.5144(2) 0.8751(3) 0.30090(15) 0.0388(8) Uani 1 1 d . . . . .
O4 O 0.4908(3) 0.8213(3) 0.19487(14) 0.0369(8) Uani 1 1 d . . . . .
O5 O 0.1772(3) 0.6102(2) 0.21985(16) 0.0398(8) Uani 1 1 d . . . . .
O6 O 0.5241(2) 0.7076(2) 0.26563(15) 0.0378(8) Uani 1 1 d . . . . .
O7 O 0.2780(2) 0.5139(2) 0.18430(14) 0.0356(7) Uani 1 1 d . . . . .
O8 O 0.1855(3) 0.4585(3) 0.27440(15) 0.0385(8) Uani 1 1 d . . . . .
O9 O 0.3776(2) 0.5757(3) 0.32641(14) 0.0366(7) Uani 1 1 d . . . . .
O10 O 0.4328(2) 0.5040(2) 0.24402(14) 0.0341(7) 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 O11 1.585(4) . ?
Si1 O1 1.622(3) . ?
Si1 O4 1.628(3) . ?
Si1 C14 1.857(5) . ?
O11 Si11 1.651(4) . ?
Si11 C11A 1.859(7) . ?
Si11 C11B 1.857(7) . ?
Si11 C10 1.877(5) . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C11A H11C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C10 C11 1.534(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 Si12 1.873(5) . ?
C11 H11G 0.9900 . ?
C11 H11H 0.9900 . ?
Si12 C12 1.853(6) . ?
Si12 C13 1.869(7) . ?
Si12 H12 0.9999 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.387(7) . ?
C14 C15 1.392(7) . ?
C15 C16 1.388(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(8) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
Si2 O5 1.608(3) . ?
Si2 O1 1.615(4) . ?
Si2 O2 1.620(3) . ?
Si2 C21 1.847(5) . ?
C21 C22 1.398(7) . ?
C21 C26 1.401(7) . ?
C22 C23 1.389(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.361(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.371(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
Si3 O31 1.600(4) . ?
Si3 O2 1.615(3) . ?
Si3 O3 1.625(4) . ?
Si3 C34 1.859(5) . ?
O31 Si31 1.640(4) . ?
Si31 C31B 1.864(7) . ?
Si31 C31A 1.851(6) . ?
Si31 C30 1.901(7) . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
C31B H31D 0.9800 . ?
C31B H31E 0.9800 . ?
C31B H31F 0.9800 . ?
C30 C31 1.497(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 Si32 1.861(7) . ?
C31 H31G 0.9900 . ?
C31 H31H 0.9900 . ?
Si32 C32 1.799(10) . ?
Si32 C33 1.909(11) . ?
Si32 H32 0.9999 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.376(8) . ?
C34 C39 1.379(8) . ?
C35 C36 1.385(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.357(9) . ?
C37 H37 0.9500 . ?
C38 C39 1.390(8) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
Si4 O6 1.609(3) . ?
Si4 O4 1.615(3) . ?
Si4 O3 1.624(4) . ?
Si4 C41 1.854(5) . ?
C41 C42 1.384(7) . ?
C41 C46 1.381(8) . ?
C42 C43 1.401(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.355(9) . ?
C43 H43 0.9500 . ?
C44 C45 1.355(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.387(7) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
Si5 O51 1.604(4) . ?
Si5 O10 1.625(3) . ?
Si5 O7 1.629(3) . ?
Si5 C54 1.859(5) . ?
O51 Si51 1.645(4) . ?
Si51 C51A 1.856(6) . ?
Si51 C51B 1.854(6) . ?
Si51 C50 1.870(5) . ?
C51A H51A 0.9800 . ?
C51A H51B 0.9800 . ?
C51A H51C 0.9800 . ?
C51B H51D 0.9800 . ?
C51B H51E 0.9800 . ?
C51B H51F 0.9800 . ?
C50 C51 1.542(6) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 Si52 1.868(5) . ?
C51 H51G 0.9900 . ?
C51 H51H 0.9900 . ?
Si52 C53 1.860(6) . ?
Si52 C52 1.870(7) . ?
Si52 H52 1.0001 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C59 1.380(7) . ?
C54 C55 1.399(8) . ?
C55 C56 1.392(8) . ?
C55 H55 0.9500 . ?
C56 C57 1.366(9) . ?
C56 H56 0.9500 . ?
C57 C58 1.376(9) . ?
C57 H57 0.9500 . ?
C58 C59 1.391(7) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
Si6 O5 1.615(3) . ?
Si6 O8 1.613(4) . ?
Si6 O7 1.624(3) . ?
Si6 C61 1.852(5) . ?
C61 C66 1.386(7) . ?
C61 C62 1.396(7) . ?
C62 C63 1.388(8) . ?
C62 H62 0.9500 . ?
C63 C64 1.368(8) . ?
C63 H63 0.9500 . ?
C64 C65 1.373(8) . ?
C64 H64 0.9500 . ?
C65 C66 1.385(7) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
Si7 O71 1.601(4) . ?
Si7 O8 1.626(4) . ?
Si7 O9 1.627(3) . ?
Si7 C74 1.859(5) . ?
O71 Si71 1.638(4) . ?
Si71 C70' 1.793(12) . ?
Si71 C71D 1.833(8) . ?
Si71 C71A 1.856(6) . ?
Si71 C71B 1.855(7) . ?
Si71 C70 1.871(5) . ?
Si71 C71C 1.884(11) . ?
C71A H71A 0.9800 . ?
C71A H71B 0.9800 . ?
C71A H71C 0.9799 . ?
C71B H71D 0.9799 . ?
C71B H71E 0.9799 . ?
C71B H71F 0.9801 . ?
C70 C71 1.542(7) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9897 . ?
C71 Si72 1.868(5) . ?
C71 H71G 0.9899 . ?
C71 H71H 0.9901 . ?
Si72 C73 1.859(6) . ?
Si72 C72 1.870(7) . ?
Si72 H72 1.0000 . ?
C72 H72A 0.9801 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9801 . ?
C73 H73B 0.9799 . ?
C73 H73C 0.9800 . ?
C71C H71I 0.9800 . ?
C71C H71J 0.9799 . ?
C71C H71K 0.9800 . ?
C71D H71L 0.9800 . ?
C71D H71M 0.9799 . ?
C71D H71N 0.9800 . ?
C70' C71' 1.498(9) . ?
C70' H70C 0.9900 . ?
C70' H70D 0.9899 . ?
C71' Si73 1.898(13) . ?
C71' H71O 0.9899 . ?
C71' H71P 0.9900 . ?
Si73 C72' 1.750(18) . ?
Si73 C73' 1.786(13) . ?
Si73 H73 0.9999 . ?
C72' H72D 0.9801 . ?
C72' H72E 0.9800 . ?
C72' H72F 0.9799 . ?
C73' H73D 0.9801 . ?
C73' H73E 0.9800 . ?
C73' H73F 0.9800 . ?
C74 C79 1.387(7) . ?
C74 C75 1.393(8) . ?
C75 C76 1.382(8) . ?
C75 H75 0.9500 . ?
C76 C77 1.363(9) . ?
C76 H76 0.9500 . ?
C77 C78 1.374(10) . ?
C77 H77 0.9500 . ?
C78 C79 1.395(8) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
Si8 O6 1.612(3) . ?
Si8 O9 1.615(3) . ?
Si8 O10 1.614(3) . ?
Si8 C81 1.853(5) . ?
C81 C86 1.383(8) . ?
C81 C82 1.379(8) . ?
C82 C83 1.398(9) . ?
C82 H82 0.9500 . ?
C83 C84 1.360(13) . ?
C83 H83 0.9500 . ?
C84 C85 1.337(12) . ?
C84 H84 0.9500 . ?
C85 C86 1.384(9) . ?
C85 H85 0.9500 . ?
C86 H86 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
O11 Si1 O1 108.9(2) . . ?
O11 Si1 O4 107.41(19) . . ?
O1 Si1 O4 110.39(18) . . ?
O11 Si1 C14 112.8(2) . . ?
O1 Si1 C14 106.7(2) . . ?
O4 Si1 C14 110.6(2) . . ?
Si1 O11 Si11 155.8(2) . . ?
O11 Si11 C11A 108.7(3) . . ?
O11 Si11 C11B 107.7(3) . . ?
C11A Si11 C11B 111.2(4) . . ?
O11 Si11 C10 109.1(2) . . ?
C11A Si11 C10 109.9(3) . . ?
C11B Si11 C10 110.1(3) . . ?
Si11 C11A H11A 109.5 . . ?
Si11 C11A H11B 109.5 . . ?
H11A C11A H11B 109.5 . . ?
Si11 C11A H11C 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
Si11 C11B H11D 109.5 . . ?
Si11 C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
Si11 C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C11 C10 Si11 114.4(4) . . ?
C11 C10 H10A 108.7 . . ?
Si11 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
Si11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 Si12 114.2(4) . . ?
C10 C11 H11G 108.7 . . ?
Si12 C11 H11G 108.7 . . ?
C10 C11 H11H 108.7 . . ?
Si12 C11 H11H 108.7 . . ?
H11G C11 H11H 107.6 . . ?
C12 Si12 C13 111.0(3) . . ?
C12 Si12 C11 109.6(3) . . ?
C13 Si12 C11 110.2(3) . . ?
C12 Si12 H12 108.6 . . ?
C13 Si12 H12 108.5 . . ?
C11 Si12 H12 108.8 . . ?
Si12 C12 H12A 109.5 . . ?
Si12 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si12 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si12 C13 H13A 109.5 . . ?
Si12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 117.7(5) . . ?
C19 C14 Si1 122.3(4) . . ?
C15 C14 Si1 120.0(4) . . ?
C16 C15 C14 121.6(5) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C17 C16 C15 119.7(5) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.0(5) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 120.1(6) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C14 121.0(5) . . ?
C18 C19 H19 119.5 . . ?
C14 C19 H19 119.5 . . ?
O5 Si2 O1 108.9(2) . . ?
O5 Si2 O2 109.60(18) . . ?
O1 Si2 O2 109.26(18) . . ?
O5 Si2 C21 108.5(2) . . ?
O1 Si2 C21 110.08(19) . . ?
O2 Si2 C21 110.5(2) . . ?
C22 C21 C26 117.4(5) . . ?
C22 C21 Si2 122.1(4) . . ?
C26 C21 Si2 120.4(4) . . ?
C21 C22 C23 120.8(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 120.4(5) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.2(5) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.4(5) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C21 120.7(5) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
O31 Si3 O2 108.61(18) . . ?
O31 Si3 O3 110.54(19) . . ?
O2 Si3 O3 108.27(18) . . ?
O31 Si3 C34 111.2(2) . . ?
O2 Si3 C34 110.7(2) . . ?
O3 Si3 C34 107.5(2) . . ?
Si3 O31 Si31 144.6(2) . . ?
O31 Si31 C31B 108.3(2) . . ?
O31 Si31 C31A 109.2(2) . . ?
C31B Si31 C31A 108.1(3) . . ?
O31 Si31 C30 106.9(3) . . ?
C31B Si31 C30 113.4(3) . . ?
C31A Si31 C30 110.8(3) . . ?
Si31 C31A H31A 109.5 . . ?
Si31 C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
Si31 C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
Si31 C31B H31D 109.5 . . ?
Si31 C31B H31E 109.5 . . ?
H31D C31B H31E 109.5 . . ?
Si31 C31B H31F 109.5 . . ?
H31D C31B H31F 109.5 . . ?
H31E C31B H31F 109.5 . . ?
C31 C30 Si31 116.6(5) . . ?
C31 C30 H30A 108.1 . . ?
Si31 C30 H30A 108.1 . . ?
C31 C30 H30B 108.1 . . ?
Si31 C30 H30B 108.1 . . ?
H30A C30 H30B 107.3 . . ?
C30 C31 Si32 115.4(5) . . ?
C30 C31 H31G 108.4 . . ?
Si32 C31 H31G 108.4 . . ?
C30 C31 H31H 108.4 . . ?
Si32 C31 H31H 108.4 . . ?
H31G C31 H31H 107.5 . . ?
C32 Si32 C31 112.2(4) . . ?
C32 Si32 C33 103.5(5) . . ?
C31 Si32 C33 112.1(4) . . ?
C32 Si32 H32 109.6 . . ?
C31 Si32 H32 109.5 . . ?
C33 Si32 H32 109.9 . . ?
Si32 C32 H32A 109.5 . . ?
Si32 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si32 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si32 C33 H33A 109.5 . . ?
Si32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C39 117.2(5) . . ?
C35 C34 Si3 122.2(4) . . ?
C39 C34 Si3 120.4(4) . . ?
C34 C35 C36 121.8(6) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C37 C36 C35 119.6(6) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
C38 C37 C36 119.8(6) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C37 C38 C39 120.0(6) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C34 C39 C38 121.6(6) . . ?
C34 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
O6 Si4 O4 107.98(19) . . ?
O6 Si4 O3 109.97(19) . . ?
O4 Si4 O3 111.20(18) . . ?
O6 Si4 C41 110.36(18) . . ?
O4 Si4 C41 109.2(2) . . ?
O3 Si4 C41 108.1(2) . . ?
C42 C41 C46 117.1(5) . . ?
C42 C41 Si4 121.0(4) . . ?
C46 C41 Si4 121.8(4) . . ?
C41 C42 C43 120.5(6) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C44 C43 C42 120.6(6) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 119.9(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C46 119.9(6) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C41 121.9(5) . . ?
C45 C46 H46 119.1 . . ?
C41 C46 H46 119.1 . . ?
O51 Si5 O10 111.14(18) . . ?
O51 Si5 O7 107.50(18) . . ?
O10 Si5 O7 108.95(18) . . ?
O51 Si5 C54 111.7(2) . . ?
O10 Si5 C54 107.5(2) . . ?
O7 Si5 C54 110.08(19) . . ?
Si5 O51 Si51 146.7(2) . . ?
O51 Si51 C51A 110.2(2) . . ?
O51 Si51 C51B 107.5(3) . . ?
C51A Si51 C51B 110.2(3) . . ?
O51 Si51 C50 106.5(2) . . ?
C51A Si51 C50 111.0(3) . . ?
C51B Si51 C50 111.2(3) . . ?
Si51 C51A H51A 109.5 . . ?
Si51 C51A H51B 109.5 . . ?
H51A C51A H51B 109.5 . . ?
Si51 C51A H51C 109.5 . . ?
H51A C51A H51C 109.5 . . ?
H51B C51A H51C 109.5 . . ?
Si51 C51B H51D 109.5 . . ?
Si51 C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
Si51 C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
C51 C50 Si51 115.5(3) . . ?
C51 C50 H50A 108.4 . . ?
Si51 C50 H50A 108.4 . . ?
C51 C50 H50B 108.4 . . ?
Si51 C50 H50B 108.4 . . ?
H50A C50 H50B 107.5 . . ?
C50 C51 Si52 113.9(3) . . ?
C50 C51 H51G 108.8 . . ?
Si52 C51 H51G 108.8 . . ?
C50 C51 H51H 108.8 . . ?
Si52 C51 H51H 108.8 . . ?
H51G C51 H51H 107.7 . . ?
C53 Si52 C52 108.6(3) . . ?
C53 Si52 C51 110.7(3) . . ?
C52 Si52 C51 111.7(3) . . ?
C53 Si52 H52 108.6 . . ?
C52 Si52 H52 108.6 . . ?
C51 Si52 H52 108.6 . . ?
Si52 C52 H52A 109.5 . . ?
Si52 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si52 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Si52 C53 H53A 109.5 . . ?
Si52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
Si52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C59 C54 C55 118.1(5) . . ?
C59 C54 Si5 121.5(4) . . ?
C55 C54 Si5 120.3(4) . . ?
C56 C55 C54 120.3(6) . . ?
C56 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C57 C56 C55 120.5(6) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C58 C57 C56 120.0(5) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 119.8(6) . . ?
C57 C58 H58 120.1 . . ?
C59 C58 H58 120.1 . . ?
C54 C59 C58 121.2(6) . . ?
C54 C59 H59 119.4 . . ?
C58 C59 H59 119.4 . . ?
O5 Si6 O8 110.9(2) . . ?
O5 Si6 O7 108.89(18) . . ?
O8 Si6 O7 107.59(18) . . ?
O5 Si6 C61 108.3(2) . . ?
O8 Si6 C61 109.6(2) . . ?
O7 Si6 C61 111.6(2) . . ?
C66 C61 C62 117.6(5) . . ?
C66 C61 Si6 121.0(4) . . ?
C62 C61 Si6 121.4(4) . . ?
C63 C62 C61 121.1(5) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C64 C63 C62 120.0(5) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 C65 119.9(5) . . ?
C63 C64 H64 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 C66 120.3(5) . . ?
C64 C65 H65 119.9 . . ?
C66 C65 H65 119.9 . . ?
C65 C66 C61 121.1(5) . . ?
C65 C66 H66 119.5 . . ?
C61 C66 H66 119.5 . . ?
O71 Si7 O8 111.23(19) . . ?
O71 Si7 O9 107.75(18) . . ?
O8 Si7 O9 109.32(19) . . ?
O71 Si7 C74 109.6(2) . . ?
O8 Si7 C74 107.0(2) . . ?
O9 Si7 C74 111.9(2) . . ?
Si7 O71 Si71 146.1(2) . . ?
O71 Si71 C70' 113.0(5) . . ?
O71 Si71 C71D 108.4(3) . . ?
C70' Si71 C71D 114.3(5) . . ?
O71 Si71 C71A 110.7(7) . . ?
O71 Si71 C71B 104.8(8) . . ?
C71A Si71 C71B 110.2(4) . . ?
O71 Si71 C70 108.9(6) . . ?
C71A Si71 C70 110.9(3) . . ?
C71B Si71 C70 111.1(3) . . ?
O71 Si71 C71C 106.0(4) . . ?
C70' Si71 C71C 105.9(5) . . ?
C71D Si71 C71C 108.9(5) . . ?
Si71 C71A H71A 112.2 . . ?
Si71 C71A H71B 107.8 . . ?
H71A C71A H71B 109.5 . . ?
Si71 C71A H71C 108.4 . . ?
H71A C71A H71C 109.5 . . ?
H71B C71A H71C 109.5 . . ?
Si71 C71B H71D 108.1 . . ?
Si71 C71B H71E 112.4 . . ?
H71D C71B H71E 109.5 . . ?
Si71 C71B H71F 107.9 . . ?
H71D C71B H71F 109.5 . . ?
H71E C71B H71F 109.5 . . ?
C71 C70 Si71 115.6(4) . . ?
C71 C70 H70A 104.4 . . ?
Si71 C70 H70A 104.7 . . ?
C71 C70 H70B 112.7 . . ?
Si71 C70 H70B 111.1 . . ?
H70A C70 H70B 107.4 . . ?
C70 C71 Si72 113.8(4) . . ?
C70 C71 H71G 112.4 . . ?
Si72 C71 H71G 108.8 . . ?
C70 C71 H71H 104.2 . . ?
Si72 C71 H71H 109.6 . . ?
H71G C71 H71H 107.7 . . ?
C73 Si72 C72 108.7(4) . . ?
C73 Si72 C71 110.7(3) . . ?
C72 Si72 C71 111.7(3) . . ?
C73 Si72 H72 112.9 . . ?
C72 Si72 H72 103.4 . . ?
C71 Si72 H72 109.3 . . ?
Si72 C72 H72A 106.0 . . ?
Si72 C72 H72B 114.8 . . ?
H72A C72 H72B 109.5 . . ?
Si72 C72 H72C 107.5 . . ?
H72A C72 H72C 109.4 . . ?
H72B C72 H72C 109.5 . . ?
Si72 C73 H73A 114.1 . . ?
Si72 C73 H73B 105.4 . . ?
H73A C73 H73B 109.5 . . ?
Si72 C73 H73C 108.8 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
Si71 C71C H71I 111.5 . . ?
Si71 C71C H71J 110.5 . . ?
H71I C71C H71J 109.5 . . ?
Si71 C71C H71K 106.4 . . ?
H71I C71C H71K 109.5 . . ?
H71J C71C H71K 109.5 . . ?
Si71 C71D H71L 109.6 . . ?
Si71 C71D H71M 108.9 . . ?
H71L C71D H71M 109.5 . . ?
Si71 C71D H71N 109.9 . . ?
H71L C71D H71N 109.5 . . ?
H71M C71D H71N 109.5 . . ?
C71' C70' Si71 115.9(9) . . ?
C71' C70' H70C 106.3 . . ?
Si71 C70' H70C 107.8 . . ?
C71' C70' H70D 110.1 . . ?
Si71 C70' H70D 108.7 . . ?
H70C C70' H70D 107.8 . . ?
C70' C71' Si73 114.5(9) . . ?
C70' C71' H71O 110.0 . . ?
Si73 C71' H71O 110.4 . . ?
C70' C71' H71P 106.0 . . ?
Si73 C71' H71P 107.9 . . ?
H71O C71' H71P 107.7 . . ?
C72' Si73 C73' 114.7(8) . . ?
C72' Si73 C71' 107.5(8) . . ?
C73' Si73 C71' 107.3(6) . . ?
C72' Si73 H73 109.2 . . ?
C73' Si73 H73 107.8 . . ?
C71' Si73 H73 110.3 . . ?
Si73 C72' H72D 106.8 . . ?
Si73 C72' H72E 110.9 . . ?
H72D C72' H72E 109.5 . . ?
Si73 C72' H72F 110.7 . . ?
H72D C72' H72F 109.5 . . ?
H72E C72' H72F 109.5 . . ?
Si73 C73' H73D 109.2 . . ?
Si73 C73' H73E 112.6 . . ?
H73D C73' H73E 109.5 . . ?
Si73 C73' H73F 106.6 . . ?
H73D C73' H73F 109.5 . . ?
H73E C73' H73F 109.5 . . ?
C79 C74 C75 117.3(5) . . ?
C79 C74 Si7 120.9(4) . . ?
C75 C74 Si7 121.3(4) . . ?
C76 C75 C74 121.8(6) . . ?
C76 C75 H75 119.1 . . ?
C74 C75 H75 119.1 . . ?
C77 C76 C75 119.7(6) . . ?
C77 C76 H76 120.2 . . ?
C75 C76 H76 120.2 . . ?
C76 C77 C78 120.4(6) . . ?
C76 C77 H77 119.8 . . ?
C78 C77 H77 119.8 . . ?
C77 C78 C79 119.9(6) . . ?
C77 C78 H78 120.1 . . ?
C79 C78 H78 120.1 . . ?
C74 C79 C78 120.9(6) . . ?
C74 C79 H79 119.6 . . ?
C78 C79 H79 119.6 . . ?
O6 Si8 O9 110.24(18) . . ?
O6 Si8 O10 108.84(19) . . ?
O9 Si8 O10 108.04(18) . . ?
O6 Si8 C81 109.4(2) . . ?
O9 Si8 C81 109.8(2) . . ?
O10 Si8 C81 110.5(2) . . ?
C86 C81 C82 117.0(5) . . ?
C86 C81 Si8 122.3(4) . . ?
C82 C81 Si8 120.7(4) . . ?
C81 C82 C83 120.7(7) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C84 C83 C82 120.5(8) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C85 C84 C83 119.5(6) . . ?
C85 C84 H84 120.2 . . ?
C83 C84 H84 120.2 . . ?
C84 C85 C86 121.0(7) . . ?
C84 C85 H85 119.5 . . ?
C86 C85 H85 119.5 . . ?
C81 C86 C85 121.3(7) . . ?
C81 C86 H86 119.3 . . ?
C85 C86 H86 119.3 . . ?
Si2 O1 Si1 147.0(2) . . ?
Si3 O2 Si2 147.1(2) . . ?
Si4 O3 Si3 139.5(2) . . ?
Si4 O4 Si1 147.3(2) . . ?
Si6 O5 Si2 155.2(2) . . ?
Si4 O6 Si8 162.4(3) . . ?
Si6 O7 Si5 138.5(2) . . ?
Si6 O8 Si7 142.4(2) . . ?
Si8 O9 Si7 145.1(2) . . ?
Si8 O10 Si5 140.9(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
O1 Si1 O11 Si11 41.9(7) . . . . ?
O4 Si1 O11 Si11 161.4(6) . . . . ?
C14 Si1 O11 Si11 -76.5(7) . . . . ?
Si1 O11 Si11 C11A 120.3(7) . . . . ?
Si1 O11 Si11 C11B -119.1(6) . . . . ?
Si1 O11 Si11 C10 0.4(7) . . . . ?
O11 Si11 C10 C11 -78.3(5) . . . . ?
C11A Si11 C10 C11 162.5(5) . . . . ?
C11B Si11 C10 C11 39.7(5) . . . . ?
Si11 C10 C11 Si12 178.2(3) . . . . ?
C10 C11 Si12 C12 -69.6(5) . . . . ?
C10 C11 Si12 C13 52.8(5) . . . . ?
O11 Si1 C14 C19 -103.6(5) . . . . ?
O1 Si1 C14 C19 136.8(5) . . . . ?
O4 Si1 C14 C19 16.7(5) . . . . ?
O11 Si1 C14 C15 78.1(5) . . . . ?
O1 Si1 C14 C15 -41.5(5) . . . . ?
O4 Si1 C14 C15 -161.6(4) . . . . ?
C19 C14 C15 C16 -0.3(9) . . . . ?
Si1 C14 C15 C16 178.0(5) . . . . ?
C14 C15 C16 C17 -0.4(11) . . . . ?
C15 C16 C17 C18 0.5(11) . . . . ?
C16 C17 C18 C19 0.0(10) . . . . ?
C17 C18 C19 C14 -0.7(10) . . . . ?
C15 C14 C19 C18 0.9(9) . . . . ?
Si1 C14 C19 C18 -177.5(5) . . . . ?
O5 Si2 C21 C22 5.9(5) . . . . ?
O1 Si2 C21 C22 125.0(4) . . . . ?
O2 Si2 C21 C22 -114.3(5) . . . . ?
O5 Si2 C21 C26 -178.2(4) . . . . ?
O1 Si2 C21 C26 -59.1(5) . . . . ?
O2 Si2 C21 C26 61.6(5) . . . . ?
C26 C21 C22 C23 -0.2(8) . . . . ?
Si2 C21 C22 C23 175.8(5) . . . . ?
C21 C22 C23 C24 -0.8(10) . . . . ?
C22 C23 C24 C25 1.6(11) . . . . ?
C23 C24 C25 C26 -1.3(10) . . . . ?
C24 C25 C26 C21 0.2(10) . . . . ?
C22 C21 C26 C25 0.6(8) . . . . ?
Si2 C21 C26 C25 -175.5(5) . . . . ?
O2 Si3 O31 Si31 164.8(4) . . . . ?
O3 Si3 O31 Si31 46.1(5) . . . . ?
C34 Si3 O31 Si31 -73.2(5) . . . . ?
Si3 O31 Si31 C31B 113.6(5) . . . . ?
Si3 O31 Si31 C31A -128.9(5) . . . . ?
Si3 O31 Si31 C30 -8.9(5) . . . . ?
Si31 C30 C31 Si32 172.3(4) . . . . ?
C30 C31 Si32 C32 55.7(7) . . . . ?
C30 C31 Si32 C33 171.6(6) . . . . ?
O31 Si3 C34 C35 141.0(5) . . . . ?
O2 Si3 C34 C35 -98.1(5) . . . . ?
O3 Si3 C34 C35 19.9(5) . . . . ?
O31 Si3 C34 C39 -43.5(5) . . . . ?
O2 Si3 C34 C39 77.4(5) . . . . ?
O3 Si3 C34 C39 -164.6(5) . . . . ?
C39 C34 C35 C36 -0.4(10) . . . . ?
Si3 C34 C35 C36 175.2(6) . . . . ?
C34 C35 C36 C37 1.7(12) . . . . ?
C35 C36 C37 C38 -2.5(12) . . . . ?
C36 C37 C38 C39 2.0(12) . . . . ?
C35 C34 C39 C38 -0.1(10) . . . . ?
Si3 C34 C39 C38 -175.8(5) . . . . ?
C37 C38 C39 C34 -0.7(11) . . . . ?
O6 Si4 C41 C42 -116.5(5) . . . . ?
O4 Si4 C41 C42 125.0(5) . . . . ?
O3 Si4 C41 C42 3.9(5) . . . . ?
O6 Si4 C41 C46 64.1(5) . . . . ?
O4 Si4 C41 C46 -54.5(5) . . . . ?
O3 Si4 C41 C46 -175.6(4) . . . . ?
C46 C41 C42 C43 0.4(9) . . . . ?
Si4 C41 C42 C43 -179.1(6) . . . . ?
C41 C42 C43 C44 -0.1(11) . . . . ?
C42 C43 C44 C45 -0.5(11) . . . . ?
C43 C44 C45 C46 0.6(10) . . . . ?
C44 C45 C46 C41 -0.3(10) . . . . ?
C42 C41 C46 C45 -0.2(9) . . . . ?
Si4 C41 C46 C45 179.3(5) . . . . ?
O10 Si5 O51 Si51 22.8(5) . . . . ?
O7 Si5 O51 Si51 142.0(4) . . . . ?
C54 Si5 O51 Si51 -97.2(5) . . . . ?
Si5 O51 Si51 C51A -10.9(5) . . . . ?
Si5 O51 Si51 C51B 109.4(5) . . . . ?
Si5 O51 Si51 C50 -131.3(4) . . . . ?
O51 Si51 C50 C51 170.9(4) . . . . ?
C51A Si51 C50 C51 50.9(5) . . . . ?
C51B Si51 C50 C51 -72.2(5) . . . . ?
Si51 C50 C51 Si52 177.6(3) . . . . ?
C50 C51 Si52 C53 171.4(4) . . . . ?
C50 C51 Si52 C52 50.3(5) . . . . ?
O51 Si5 C54 C59 133.4(4) . . . . ?
O10 Si5 C54 C59 11.2(5) . . . . ?
O7 Si5 C54 C59 -107.3(4) . . . . ?
O51 Si5 C54 C55 -49.8(5) . . . . ?
O10 Si5 C54 C55 -172.0(4) . . . . ?
O7 Si5 C54 C55 69.5(5) . . . . ?
C59 C54 C55 C56 0.9(8) . . . . ?
Si5 C54 C55 C56 -175.9(5) . . . . ?
C54 C55 C56 C57 -0.3(9) . . . . ?
C55 C56 C57 C58 -0.4(9) . . . . ?
C56 C57 C58 C59 0.4(9) . . . . ?
C55 C54 C59 C58 -0.9(8) . . . . ?
Si5 C54 C59 C58 176.0(4) . . . . ?
C57 C58 C59 C54 0.2(9) . . . . ?
O5 Si6 C61 C66 -165.6(5) . . . . ?
O8 Si6 C61 C66 -44.5(5) . . . . ?
O7 Si6 C61 C66 74.6(5) . . . . ?
O5 Si6 C61 C62 13.7(5) . . . . ?
O8 Si6 C61 C62 134.8(5) . . . . ?
O7 Si6 C61 C62 -106.1(5) . . . . ?
C66 C61 C62 C63 -2.2(9) . . . . ?
Si6 C61 C62 C63 178.5(5) . . . . ?
C61 C62 C63 C64 1.3(10) . . . . ?
C62 C63 C64 C65 -0.6(10) . . . . ?
C63 C64 C65 C66 0.9(10) . . . . ?
C64 C65 C66 C61 -2.0(10) . . . . ?
C62 C61 C66 C65 2.6(9) . . . . ?
Si6 C61 C66 C65 -178.1(5) . . . . ?
O8 Si7 O71 Si71 76.7(5) . . . . ?
O9 Si7 O71 Si71 -163.5(4) . . . . ?
C74 Si7 O71 Si71 -41.5(5) . . . . ?
Si7 O71 Si71 C70' -34.1(6) . . . . ?
Si7 O71 Si71 C71D -161.9(5) . . . . ?
Si7 O71 Si71 C71A 58.7(7) . . . . ?
Si7 O71 Si71 C71B 177.5(6) . . . . ?
Si7 O71 Si71 C70 -63.6(5) . . . . ?
Si7 O71 Si71 C71C 81.4(6) . . . . ?
O71 Si71 C70 C71 66.3(13) . . . . ?
C71A Si71 C70 C71 -55.8(15) . . . . ?
C71B Si71 C70 C71 -178.8(15) . . . . ?
Si71 C70 C71 Si72 158.3(9) . . . . ?
C70 C71 Si72 C73 49.4(15) . . . . ?
C70 C71 Si72 C72 170.7(15) . . . . ?
O71 Si71 C70' C71' -81.7(10) . . . . ?
C71D Si71 C70' C71' 42.9(12) . . . . ?
C71C Si71 C70' C71' 162.7(10) . . . . ?
Si71 C70' C71' Si73 -175.3(7) . . . . ?
C70' C71' Si73 C72' -67.7(13) . . . . ?
C70' C71' Si73 C73' 168.5(11) . . . . ?
O71 Si7 C74 C79 109.2(5) . . . . ?
O8 Si7 C74 C79 -11.5(5) . . . . ?
O9 Si7 C74 C79 -131.3(4) . . . . ?
O71 Si7 C74 C75 -63.0(5) . . . . ?
O8 Si7 C74 C75 176.2(4) . . . . ?
O9 Si7 C74 C75 56.5(5) . . . . ?
C79 C74 C75 C76 -0.4(9) . . . . ?
Si7 C74 C75 C76 172.1(5) . . . . ?
C74 C75 C76 C77 -0.4(10) . . . . ?
C75 C76 C77 C78 1.6(10) . . . . ?
C76 C77 C78 C79 -1.9(10) . . . . ?
C75 C74 C79 C78 0.0(8) . . . . ?
Si7 C74 C79 C78 -172.5(5) . . . . ?
C77 C78 C79 C74 1.1(10) . . . . ?
O6 Si8 C81 C86 -3.1(6) . . . . ?
O9 Si8 C81 C86 -124.2(5) . . . . ?
O10 Si8 C81 C86 116.8(5) . . . . ?
O6 Si8 C81 C82 174.8(5) . . . . ?
O9 Si8 C81 C82 53.7(6) . . . . ?
O10 Si8 C81 C82 -65.4(6) . . . . ?
C86 C81 C82 C83 1.1(11) . . . . ?
Si8 C81 C82 C83 -176.9(7) . . . . ?
C81 C82 C83 C84 -1.4(14) . . . . ?
C82 C83 C84 C85 0.1(15) . . . . ?
C83 C84 C85 C86 1.4(15) . . . . ?
C82 C81 C86 C85 0.5(11) . . . . ?
Si8 C81 C86 C85 178.4(6) . . . . ?
C84 C85 C86 C81 -1.8(14) . . . . ?
O5 Si2 O1 Si1 -76.4(5) . . . . ?
O2 Si2 O1 Si1 43.3(5) . . . . ?
C21 Si2 O1 Si1 164.7(4) . . . . ?
O11 Si1 O1 Si2 110.1(5) . . . . ?
O4 Si1 O1 Si2 -7.6(5) . . . . ?
C14 Si1 O1 Si2 -127.9(5) . . . . ?
O31 Si3 O2 Si2 168.9(4) . . . . ?
O3 Si3 O2 Si2 -71.1(4) . . . . ?
C34 Si3 O2 Si2 46.5(5) . . . . ?
O5 Si2 O2 Si3 152.8(4) . . . . ?
O1 Si2 O2 Si3 33.5(5) . . . . ?
C21 Si2 O2 Si3 -87.7(4) . . . . ?
O6 Si4 O3 Si3 -55.4(4) . . . . ?
O4 Si4 O3 Si3 64.1(4) . . . . ?
C41 Si4 O3 Si3 -176.0(3) . . . . ?
O31 Si3 O3 Si4 102.5(4) . . . . ?
O2 Si3 O3 Si4 -16.3(4) . . . . ?
C34 Si3 O3 Si4 -136.0(4) . . . . ?
O6 Si4 O4 Si1 122.0(4) . . . . ?
O3 Si4 O4 Si1 1.3(5) . . . . ?
C41 Si4 O4 Si1 -118.0(4) . . . . ?
O11 Si1 O4 Si4 -168.5(4) . . . . ?
O1 Si1 O4 Si4 -49.9(5) . . . . ?
C14 Si1 O4 Si4 68.0(5) . . . . ?
O8 Si6 O5 Si2 60.1(7) . . . . ?
O7 Si6 O5 Si2 -58.1(7) . . . . ?
C61 Si6 O5 Si2 -179.6(6) . . . . ?
O1 Si2 O5 Si6 89.6(7) . . . . ?
O2 Si2 O5 Si6 -29.9(7) . . . . ?
C21 Si2 O5 Si6 -150.5(6) . . . . ?
O4 Si4 O6 Si8 -110.8(8) . . . . ?
O3 Si4 O6 Si8 10.7(9) . . . . ?
C41 Si4 O6 Si8 129.9(8) . . . . ?
O9 Si8 O6 Si4 18.0(9) . . . . ?
O10 Si8 O6 Si4 136.3(8) . . . . ?
C81 Si8 O6 Si4 -102.9(8) . . . . ?
O5 Si6 O7 Si5 145.8(3) . . . . ?
O8 Si6 O7 Si5 25.5(4) . . . . ?
C61 Si6 O7 Si5 -94.7(4) . . . . ?
O51 Si5 O7 Si6 173.8(3) . . . . ?
O10 Si5 O7 Si6 -65.6(4) . . . . ?
C54 Si5 O7 Si6 52.0(4) . . . . ?
O5 Si6 O8 Si7 -45.6(4) . . . . ?
O7 Si6 O8 Si7 73.4(4) . . . . ?
C61 Si6 O8 Si7 -165.1(4) . . . . ?
O71 Si7 O8 Si6 78.6(4) . . . . ?
O9 Si7 O8 Si6 -40.3(4) . . . . ?
C74 Si7 O8 Si6 -161.7(4) . . . . ?
O6 Si8 O9 Si7 123.4(4) . . . . ?
O10 Si8 O9 Si7 4.5(4) . . . . ?
C81 Si8 O9 Si7 -116.0(4) . . . . ?
O71 Si7 O9 Si8 -163.3(4) . . . . ?
O8 Si7 O9 Si8 -42.2(4) . . . . ?
C74 Si7 O9 Si8 76.2(4) . . . . ?
O6 Si8 O10 Si5 -46.0(4) . . . . ?
O9 Si8 O10 Si5 73.7(4) . . . . ?
C81 Si8 O10 Si5 -166.2(3) . . . . ?
O51 Si5 O10 Si8 92.3(4) . . . . ?
O7 Si5 O10 Si8 -26.0(4) . . . . ?
C54 Si5 O10 Si8 -145.2(3) . . . . ?

_refine_diff_density_max         1.973
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.113

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2184825'
loop_
_audit_author_name
_audit_author_address
'Maciej Kubicki'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2023-06-12 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            'C56 H64 O14 Si12'
_chemical_formula_weight         1298.15

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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.1660(3)
_cell_length_b                   26.3663(7)
_cell_length_c                   24.1387(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6470.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    7069
_cell_measurement_theta_min      3.3830
_cell_measurement_theta_max      26.7220

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             2720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    0.300
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.93825
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
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            16025
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.178
_diffrn_reflns_theta_max         26.996
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6519
_reflns_number_gt                5289
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_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)+(0.0670P)²+81.5219P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     .
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6519
_refine_ls_number_parameters     378
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1125
_refine_ls_R_factor_gt           0.0949
_refine_ls_wR_factor_ref         0.2470
_refine_ls_wR_factor_gt          0.2372
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_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 0.68013(15) 0.50918(6) 0.60583(6) 0.0169(3) Uani 1 1 d . . . . .
O11 O 0.7686(5) 0.46005(17) 0.59463(17) 0.0273(10) Uani 1 1 d . . . . .
Si11 Si 0.85904(17) 0.42456(7) 0.55446(7) 0.0248(4) Uani 1 1 d . . . . .
C10 C 1.0303(7) 0.4461(4) 0.5594(3) 0.048(2) Uani 1 1 d . . . . .
H10A H 1.035484 0.481969 0.548858 0.072 Uiso 1 1 calc R U . . .
H10B H 1.085284 0.425941 0.534357 0.072 Uiso 1 1 calc R U . . .
H10C H 1.061502 0.441975 0.597510 0.072 Uiso 1 1 calc R U . . .
C11 C 0.8308(9) 0.3579(3) 0.5763(3) 0.046(2) Uani 1 1 d . . . . .
H11A H 0.734952 0.351119 0.576373 0.055 Uiso 1 1 calc R U . . .
H11B H 0.871538 0.334928 0.548713 0.055 Uiso 1 1 calc R U . . .
C12 C 0.8862(10) 0.3455(3) 0.6334(4) 0.053(2) Uani 1 1 d . . . . .
H12A H 0.853237 0.370841 0.660374 0.064 Uiso 1 1 calc R U . . .
H12B H 0.983256 0.348385 0.632232 0.064 Uiso 1 1 calc R U . . .
Si12 Si 0.8404(3) 0.28035(9) 0.65798(11) 0.0535(7) Uani 1 1 d . . . . .
H12C H 0.867(9) 0.239(3) 0.621(4) 0.064 Uiso 1 1 d . U . . .
H12D H 0.898(9) 0.267(3) 0.712(4) 0.064 Uiso 1 1 d . U . . .
C13 C 0.6642(11) 0.2709(4) 0.6700(5) 0.074(3) Uani 1 1 d . . . . .
H13A H 0.618037 0.269573 0.634408 0.111 Uiso 1 1 calc R U . . .
H13B H 0.629633 0.299080 0.692138 0.111 Uiso 1 1 calc R U . . .
H13C H 0.650525 0.238953 0.689991 0.111 Uiso 1 1 calc R U . . .
C14 C 0.7556(6) 0.5499(2) 0.6592(2) 0.0203(12) Uani 1 1 d . . . . .
C15 C 0.8698(7) 0.5358(3) 0.6877(3) 0.0308(15) Uani 1 1 d . . . . .
H15 H 0.913409 0.505068 0.678303 0.037 Uiso 1 1 calc R U . . .
C16 C 0.9200(8) 0.5665(3) 0.7297(3) 0.0436(19) Uani 1 1 d . . . . .
H16 H 0.998131 0.556818 0.748607 0.052 Uiso 1 1 calc R U . . .
C17 C 0.8557(8) 0.6113(3) 0.7441(3) 0.0410(18) Uani 1 1 d . . . . .
H17 H 0.888925 0.631619 0.773476 0.049 Uiso 1 1 calc R U . . .
C18 C 0.7450(8) 0.6264(3) 0.7161(3) 0.0388(17) Uani 1 1 d . . . . .
H18 H 0.702289 0.657217 0.725640 0.047 Uiso 1 1 calc R U . . .
C19 C 0.6953(7) 0.5958(3) 0.6734(3) 0.0300(14) Uani 1 1 d . . . . .
H19 H 0.619322 0.606549 0.653633 0.036 Uiso 1 1 calc R U . . .
Si2 Si 0.59409(16) 0.58130(6) 0.50770(6) 0.0170(3) Uani 1 1 d . . . . .
C21 C 0.6838(6) 0.6420(2) 0.5091(2) 0.0224(12) Uani 1 1 d . . . . .
C22 C 0.8020(7) 0.6484(3) 0.5375(3) 0.0323(15) Uani 1 1 d . . . . .
H22 H 0.835926 0.621407 0.559297 0.039 Uiso 1 1 calc R U . . .
C23 C 0.8705(8) 0.6938(3) 0.5343(3) 0.044(2) Uani 1 1 d . . . . .
H23 H 0.951251 0.697502 0.553698 0.053 Uiso 1 1 calc R U . . .
C24 C 0.8223(8) 0.7338(3) 0.5032(3) 0.0431(19) Uani 1 1 d . . . . .
H24 H 0.870285 0.764633 0.500977 0.052 Uiso 1 1 calc R U . . .
C25 C 0.7053(8) 0.7287(3) 0.4756(3) 0.0361(16) Uani 1 1 d . . . . .
H25 H 0.671551 0.756287 0.454632 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6351(6) 0.6830(2) 0.4781(3) 0.0279(14) Uani 1 1 d . . . . .
H26 H 0.554078 0.679774 0.458850 0.034 Uiso 1 1 calc R U . . .
Si3 Si 0.30374(16) 0.57932(6) 0.55440(6) 0.0184(4) Uani 1 1 d . . . . .
C31 C 0.2607(6) 0.6329(2) 0.5998(2) 0.0218(12) Uani 1 1 d . . . . .
C32 C 0.3466(7) 0.6730(2) 0.6104(3) 0.0302(14) Uani 1 1 d . . . . .
H32 H 0.431048 0.673052 0.593536 0.036 Uiso 1 1 calc R U . . .
C33 C 0.3120(9) 0.7126(3) 0.6447(3) 0.044(2) Uani 1 1 d . . . . .
H33 H 0.373072 0.738925 0.652496 0.053 Uiso 1 1 calc R U . . .
C34 C 0.1848(9) 0.7136(3) 0.6682(3) 0.043(2) Uani 1 1 d . . . . .
H34 H 0.158814 0.741581 0.690490 0.051 Uiso 1 1 calc R U . . .
C35 C 0.0993(8) 0.6750(3) 0.6592(3) 0.0429(19) Uani 1 1 d . . . . .
H35 H 0.014719 0.675301 0.675871 0.051 Uiso 1 1 calc R U . . .
C36 C 0.1371(7) 0.6344(3) 0.6248(3) 0.0307(15) Uani 1 1 d . . . . .
H36 H 0.077098 0.607357 0.618496 0.037 Uiso 1 1 calc R U . . .
Si4 Si 0.60935(16) 0.52290(6) 0.39252(6) 0.0181(4) Uani 1 1 d . . . . .
C41 C 0.7027(6) 0.5562(2) 0.3377(2) 0.0219(13) Uani 1 1 d . . . . .
C42 C 0.7001(7) 0.6083(3) 0.3326(3) 0.0371(17) Uani 1 1 d . . . . .
H42 H 0.645028 0.627482 0.356521 0.045 Uiso 1 1 calc R U . . .
C43 C 0.7765(9) 0.6334(3) 0.2933(4) 0.053(2) Uani 1 1 d . . . . .
H43 H 0.775091 0.669369 0.291057 0.064 Uiso 1 1 calc R U . . .
C44 C 0.8536(8) 0.6058(3) 0.2577(3) 0.047(2) Uani 1 1 d . . . . .
H44 H 0.903695 0.622732 0.230144 0.056 Uiso 1 1 calc R U . . .
C45 C 0.8591(7) 0.5538(3) 0.2616(3) 0.0368(17) Uani 1 1 d . . . . .
H45 H 0.914454 0.534946 0.237437 0.044 Uiso 1 1 calc R U . . .
C46 C 0.7829(7) 0.5289(3) 0.3012(3) 0.0306(15) Uani 1 1 d . . . . .
H46 H 0.785381 0.492959 0.303419 0.037 Uiso 1 1 calc R U . . .
O1 O 0.5377(4) 0.49162(17) 0.62860(17) 0.0264(10) Uani 1 1 d . . . . .
O2 O 0.6605(4) 0.54008(16) 0.54843(16) 0.0237(9) Uani 1 1 d . . . . .
O3 O 0.4432(4) 0.59125(16) 0.52512(18) 0.0241(9) Uani 1 1 d . . . . .
O4 O 0.1906(4) 0.56958(19) 0.50923(19) 0.0329(11) Uani 1 1 d . . . . .
O5 O 0.5932(4) 0.55944(15) 0.44539(16) 0.0221(9) Uani 1 1 d . . . . .
O6 O 0.6856(4) 0.47173(16) 0.40866(19) 0.0285(10) 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 O11 1.600(4) . ?
Si1 O1 1.617(4) . ?
Si1 O2 1.619(4) . ?
Si1 C14 1.845(6) . ?
O11 Si11 1.631(5) . ?
Si11 O4 1.625(5) 5_666 ?
Si11 C10 1.835(8) . ?
Si11 C11 1.858(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.525(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 Si12 1.877(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
Si12 C13 1.832(11) . ?
Si12 H12C 1.43(9) . ?
Si12 H12D 1.46(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.400(9) . ?
C14 C15 1.400(9) . ?
C15 C16 1.395(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.371(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.403(10) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
Si2 O3 1.612(4) . ?
Si2 O5 1.611(4) . ?
Si2 O2 1.614(4) . ?
Si2 C21 1.843(6) . ?
C21 C22 1.394(9) . ?
C21 C26 1.404(9) . ?
C22 C23 1.387(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.371(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.401(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
Si3 O4 1.606(5) . ?
Si3 O3 1.615(4) . ?
Si3 O6 1.618(5) 5_666 ?
Si3 C31 1.841(6) . ?
C31 C32 1.395(9) . ?
C31 C36 1.395(9) . ?
C32 C33 1.378(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.413(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.357(12) . ?
C34 H34 0.9500 . ?
C35 C36 1.408(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
Si4 O6 1.604(5) . ?
Si4 O5 1.607(4) . ?
Si4 O1 1.625(4) 5_666 ?
Si4 C41 1.849(6) . ?
C41 C42 1.379(10) . ?
C41 C46 1.399(9) . ?
C42 C43 1.395(10) . ?
C42 H42 0.9500 . ?
C43 C44 1.371(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.375(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(10) . ?
C45 H45 0.9500 . ?
C46 H46 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
O11 Si1 O1 109.2(3) . . ?
O11 Si1 O2 109.4(2) . . ?
O1 Si1 O2 108.9(2) . . ?
O11 Si1 C14 110.8(3) . . ?
O1 Si1 C14 107.5(2) . . ?
O2 Si1 C14 110.9(3) . . ?
Si1 O11 Si11 151.8(3) . . ?
O4 Si11 O11 109.4(2) 5_666 . ?
O4 Si11 C10 109.0(3) 5_666 . ?
O11 Si11 C10 108.6(3) . . ?
O4 Si11 C11 108.1(3) 5_666 . ?
O11 Si11 C11 106.7(3) . . ?
C10 Si11 C11 114.9(4) . . ?
Si11 C10 H10A 109.5 . . ?
Si11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Si11 113.6(6) . . ?
C12 C11 H11A 108.8 . . ?
Si11 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
Si11 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 Si12 112.9(6) . . ?
C11 C12 H12A 109.0 . . ?
Si12 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
Si12 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C13 Si12 C12 114.7(5) . . ?
C13 Si12 H12C 100(4) . . ?
C12 Si12 H12C 117(4) . . ?
C13 Si12 H12D 102(4) . . ?
C12 Si12 H12D 114(4) . . ?
H12C Si12 H12D 107(5) . . ?
Si12 C13 H13A 109.5 . . ?
Si12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 118.4(6) . . ?
C19 C14 Si1 119.4(5) . . ?
C15 C14 Si1 122.2(5) . . ?
C16 C15 C14 120.4(7) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.1(7) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.5(7) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.5(7) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C14 C19 C18 121.2(7) . . ?
C14 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
O3 Si2 O5 107.3(2) . . ?
O3 Si2 O2 110.4(2) . . ?
O5 Si2 O2 109.3(2) . . ?
O3 Si2 C21 109.0(3) . . ?
O5 Si2 C21 109.3(3) . . ?
O2 Si2 C21 111.5(3) . . ?
C22 C21 C26 118.2(6) . . ?
C22 C21 Si2 122.7(5) . . ?
C26 C21 Si2 119.0(5) . . ?
C23 C22 C21 120.6(7) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.7(7) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C25 C24 C23 119.8(7) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 120.3(7) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.4(6) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
O4 Si3 O3 111.3(3) . . ?
O4 Si3 O6 106.8(3) . 5_666 ?
O3 Si3 O6 110.2(2) . 5_666 ?
O4 Si3 C31 110.9(3) . . ?
O3 Si3 C31 108.6(3) . . ?
O6 Si3 C31 109.1(3) 5_666 . ?
C32 C31 C36 117.6(6) . . ?
C32 C31 Si3 122.9(5) . . ?
C36 C31 Si3 119.5(5) . . ?
C33 C32 C31 121.7(7) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C34 119.3(7) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 119.4(7) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C31 C36 C35 121.5(7) . . ?
C31 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
O6 Si4 O5 111.1(2) . . ?
O6 Si4 O1 108.8(3) . 5_666 ?
O5 Si4 O1 107.3(2) . 5_666 ?
O6 Si4 C41 108.9(3) . . ?
O5 Si4 C41 109.6(3) . . ?
O1 Si4 C41 111.1(2) 5_666 . ?
C42 C41 C46 117.8(6) . . ?
C42 C41 Si4 121.7(5) . . ?
C46 C41 Si4 120.4(5) . . ?
C41 C42 C43 121.5(7) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 H42 119.2 . . ?
C44 C43 C42 119.5(8) . . ?
C44 C43 H43 120.3 . . ?
C42 C43 H43 120.3 . . ?
C43 C44 C45 120.7(7) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
C44 C45 C46 119.5(7) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C45 C46 C41 121.0(7) . . ?
C45 C46 H46 119.5 . . ?
C41 C46 H46 119.5 . . ?
Si1 O1 Si4 141.7(3) . 5_666 ?
Si2 O2 Si1 155.7(3) . . ?
Si2 O3 Si3 156.6(3) . . ?
Si3 O4 Si11 148.2(4) . 5_666 ?
Si4 O5 Si2 162.8(3) . . ?
Si4 O6 Si3 150.0(3) . 5_666 ?

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 O11 Si11 124.5(7) . . . . ?
O2 Si1 O11 Si11 5.4(8) . . . . ?
C14 Si1 O11 Si11 -117.2(7) . . . . ?
Si1 O11 Si11 O4 -30.1(8) . . . 5_666 ?
Si1 O11 Si11 C10 88.8(8) . . . . ?
Si1 O11 Si11 C11 -146.8(7) . . . . ?
O4 Si11 C11 C12 174.0(6) 5_666 . . . ?
O11 Si11 C11 C12 -68.5(7) . . . . ?
C10 Si11 C11 C12 52.0(8) . . . . ?
Si11 C11 C12 Si12 173.6(5) . . . . ?
C11 C12 Si12 C13 -65.2(8) . . . . ?
O11 Si1 C14 C19 177.6(5) . . . . ?
O1 Si1 C14 C19 -63.1(5) . . . . ?
O2 Si1 C14 C19 55.9(5) . . . . ?
O11 Si1 C14 C15 -4.4(6) . . . . ?
O1 Si1 C14 C15 114.9(5) . . . . ?
O2 Si1 C14 C15 -126.1(5) . . . . ?
C19 C14 C15 C16 1.2(10) . . . . ?
Si1 C14 C15 C16 -176.8(6) . . . . ?
C14 C15 C16 C17 0.7(11) . . . . ?
C15 C16 C17 C18 -1.8(12) . . . . ?
C16 C17 C18 C19 1.0(11) . . . . ?
C15 C14 C19 C18 -2.0(9) . . . . ?
Si1 C14 C19 C18 176.0(5) . . . . ?
C17 C18 C19 C14 0.9(11) . . . . ?
O3 Si2 C21 C22 128.6(5) . . . . ?
O5 Si2 C21 C22 -114.5(5) . . . . ?
O2 Si2 C21 C22 6.4(6) . . . . ?
O3 Si2 C21 C26 -54.5(6) . . . . ?
O5 Si2 C21 C26 62.4(6) . . . . ?
O2 Si2 C21 C26 -176.7(5) . . . . ?
C26 C21 C22 C23 -1.3(10) . . . . ?
Si2 C21 C22 C23 175.7(6) . . . . ?
C21 C22 C23 C24 0.5(12) . . . . ?
C22 C23 C24 C25 0.6(13) . . . . ?
C23 C24 C25 C26 -0.9(12) . . . . ?
C24 C25 C26 C21 0.1(11) . . . . ?
C22 C21 C26 C25 0.9(10) . . . . ?
Si2 C21 C26 C25 -176.1(5) . . . . ?
O4 Si3 C31 C32 -129.7(5) . . . . ?
O3 Si3 C31 C32 -7.1(6) . . . . ?
O6 Si3 C31 C32 113.0(5) 5_666 . . . ?
O4 Si3 C31 C36 50.0(6) . . . . ?
O3 Si3 C31 C36 172.6(5) . . . . ?
O6 Si3 C31 C36 -67.4(5) 5_666 . . . ?
C36 C31 C32 C33 0.6(10) . . . . ?
Si3 C31 C32 C33 -179.8(5) . . . . ?
C31 C32 C33 C34 -2.3(11) . . . . ?
C32 C33 C34 C35 2.9(12) . . . . ?
C33 C34 C35 C36 -1.8(12) . . . . ?
C32 C31 C36 C35 0.6(10) . . . . ?
Si3 C31 C36 C35 -179.1(5) . . . . ?
C34 C35 C36 C31 0.0(11) . . . . ?
O6 Si4 C41 C42 -150.2(6) . . . . ?
O5 Si4 C41 C42 -28.4(6) . . . . ?
O1 Si4 C41 C42 90.0(6) 5_666 . . . ?
O6 Si4 C41 C46 27.4(6) . . . . ?
O5 Si4 C41 C46 149.2(5) . . . . ?
O1 Si4 C41 C46 -92.5(5) 5_666 . . . ?
C46 C41 C42 C43 -1.3(11) . . . . ?
Si4 C41 C42 C43 176.3(7) . . . . ?
C41 C42 C43 C44 1.7(14) . . . . ?
C42 C43 C44 C45 -1.8(14) . . . . ?
C43 C44 C45 C46 1.6(13) . . . . ?
C44 C45 C46 C41 -1.2(11) . . . . ?
C42 C41 C46 C45 1.0(10) . . . . ?
Si4 C41 C46 C45 -176.6(5) . . . . ?
O11 Si1 O1 Si4 -91.4(5) . . . 5_666 ?
O2 Si1 O1 Si4 28.0(6) . . . 5_666 ?
C14 Si1 O1 Si4 148.2(5) . . . 5_666 ?
O3 Si2 O2 Si1 -27.4(8) . . . . ?
O5 Si2 O2 Si1 -145.1(7) . . . . ?
C21 Si2 O2 Si1 93.9(8) . . . . ?
O11 Si1 O2 Si2 165.2(7) . . . . ?
O1 Si1 O2 Si2 45.9(8) . . . . ?
C14 Si1 O2 Si2 -72.3(8) . . . . ?
O5 Si2 O3 Si3 99.4(8) . . . . ?
O2 Si2 O3 Si3 -19.6(9) . . . . ?
C21 Si2 O3 Si3 -142.4(8) . . . . ?
O4 Si3 O3 Si2 -113.2(8) . . . . ?
O6 Si3 O3 Si2 5.1(9) 5_666 . . . ?
C31 Si3 O3 Si2 124.5(8) . . . . ?
O3 Si3 O4 Si11 -17.8(7) . . . 5_666 ?
O6 Si3 O4 Si11 -138.0(6) 5_666 . . 5_666 ?
C31 Si3 O4 Si11 103.3(6) . . . 5_666 ?
O6 Si4 O5 Si2 -8.3(11) . . . . ?
O1 Si4 O5 Si2 110.5(11) 5_666 . . . ?
C41 Si4 O5 Si2 -128.8(10) . . . . ?
O3 Si2 O5 Si4 -114.8(10) . . . . ?
O2 Si2 O5 Si4 5.0(11) . . . . ?
C21 Si2 O5 Si4 127.2(10) . . . . ?
O5 Si4 O6 Si3 58.5(7) . . . 5_666 ?
O1 Si4 O6 Si3 -59.4(7) 5_666 . . 5_666 ?
C41 Si4 O6 Si3 179.3(6) . . . 5_666 ?

_refine_diff_density_max         1.026
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.115

