# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 1503391'
_audit_update_record             
;
2016-09-08 deposited with the CCDC.
2017-09-06 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 H68 O14 Si12'
_chemical_formula_sum            'C56 H68 O14 Si12'
_chemical_formula_weight         1302.18

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                   12.6679(11)
_cell_length_b                   12.7069(10)
_cell_length_c                   13.3265(10)
_cell_angle_alpha                77.041(6)
_cell_angle_beta                 62.164(8)
_cell_angle_gamma                62.244(8)
_cell_volume                     1678.6(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    324
_cell_measurement_theta_min      4.6440
_cell_measurement_theta_max      27.6980

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             684
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.290
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_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_measurement_method       'ω scan'
_diffrn_reflns_number            12905
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.148
_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             5893
_reflns_number_gt                4650
_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       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Mercur (MacRae, 2007)'
_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)+(0.0545P)²+0.3785P] 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         5893
_refine_ls_number_parameters     380
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0416
_refine_ls_wR_factor_ref         0.1107
_refine_ls_wR_factor_gt          0.1024
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_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 0.49459(7) 0.63650(6) 0.26048(6) 0.02051(18) Uani 1 1 d . . . . .
O14 O 0.56126(17) 0.68297(15) 0.30968(15) 0.0256(4) Uani 1 1 d . . . . .
O15 O 0.35083(16) 0.74028(15) 0.28018(14) 0.0251(4) Uani 1 1 d . . . . .
C11 C 0.6009(2) 0.6018(2) 0.1089(2) 0.0237(6) Uani 1 1 d . . . . .
C12 C 0.6824(3) 0.6598(3) 0.0420(2) 0.0323(7) Uani 1 1 d . . . . .
H12 H 0.6817 0.7188 0.0756 0.039 Uiso 1 1 calc R U . . .
C13 C 0.7635(3) 0.6337(3) -0.0711(2) 0.0397(7) Uani 1 1 d . . . . .
H13 H 0.8171 0.6750 -0.1150 0.048 Uiso 1 1 calc R U . . .
C14 C 0.7664(3) 0.5468(3) -0.1203(2) 0.0429(8) Uani 1 1 d . . . . .
H14 H 0.8230 0.5277 -0.1980 0.052 Uiso 1 1 calc R U . . .
C15 C 0.6874(3) 0.4878(3) -0.0570(2) 0.0410(8) Uani 1 1 d . . . . .
H15 H 0.6895 0.4283 -0.0911 0.049 Uiso 1 1 calc R U . . .
C16 C 0.6053(3) 0.5152(2) 0.0560(2) 0.0317(7) Uani 1 1 d . . . . .
H16 H 0.5506 0.4746 0.0987 0.038 Uiso 1 1 calc R U . . .
O12 O 0.47614(16) 0.51958(14) 0.32961(14) 0.0232(4) Uani 1 1 d . . . . .
Si2 Si 0.53925(6) 0.38254(6) 0.36789(5) 0.01816(17) Uani 1 1 d . . . . .
C21 C 0.5706(2) 0.2801(2) 0.2682(2) 0.0236(6) Uani 1 1 d . . . . .
C22 C 0.4669(3) 0.2615(3) 0.2770(3) 0.0446(9) Uani 1 1 d . . . . .
H22 H 0.3821 0.2984 0.3363 0.053 Uiso 1 1 calc R U . . .
C23 C 0.4855(3) 0.1896(3) 0.2001(3) 0.0629(12) Uani 1 1 d . . . . .
H23 H 0.4137 0.1776 0.2074 0.075 Uiso 1 1 calc R U . . .
C24 C 0.6067(3) 0.1363(3) 0.1142(3) 0.0574(10) Uani 1 1 d . . . . .
H24 H 0.6190 0.0872 0.0619 0.069 Uiso 1 1 calc R U . . .
C25 C 0.7105(3) 0.1536(3) 0.1035(3) 0.0430(8) Uani 1 1 d . . . . .
H25 H 0.7949 0.1163 0.0438 0.052 Uiso 1 1 calc R U . . .
C26 C 0.6924(3) 0.2258(2) 0.1800(2) 0.0307(7) Uani 1 1 d . . . . .
H26 H 0.7647 0.2380 0.1716 0.037 Uiso 1 1 calc R U . . .
Si5 Si 0.27747(8) 0.88576(7) 0.28818(7) 0.0327(2) Uani 1 1 d . . . . .
H5 H 0.163(3) 0.922(2) 0.268(2) 0.039 Uiso 1 1 d . U . . .
C51 C 0.2262(3) 0.9304(3) 0.4328(3) 0.0526(9) Uani 1 1 d . . . . .
H51A H 0.1690 0.8933 0.4888 0.079 Uiso 1 1 calc R U . . .
H51B H 0.1783 1.0171 0.4392 0.079 Uiso 1 1 calc R U . . .
H51C H 0.3042 0.9045 0.4468 0.079 Uiso 1 1 calc R U . . .
C52 C 0.3887(3) 0.9515(3) 0.1791(3) 0.0433(8) Uani 1 1 d . . . . .
H52A H 0.4612 0.9335 0.1984 0.065 Uiso 1 1 calc R U . . .
H52B H 0.3397 1.0379 0.1764 0.065 Uiso 1 1 calc R U . . .
H52C H 0.4241 0.9178 0.1048 0.065 Uiso 1 1 calc R U . . .
Si3 Si 0.80574(7) 0.37126(6) 0.33917(6) 0.02058(18) Uani 1 1 d . . . . .
O36 O 0.86137(17) 0.30523(15) 0.43323(14) 0.0271(4) Uani 1 1 d . . . . .
C31 C 0.9284(2) 0.3043(2) 0.1989(2) 0.0216(6) Uani 1 1 d . . . . .
C32 C 0.9346(3) 0.3693(2) 0.0985(2) 0.0274(6) Uani 1 1 d . . . . .
H32 H 0.8785 0.4518 0.1023 0.033 Uiso 1 1 calc R U . . .
C33 C 1.0203(3) 0.3165(3) -0.0063(2) 0.0348(7) Uani 1 1 d . . . . .
H33 H 1.0234 0.3625 -0.0736 0.042 Uiso 1 1 calc R U . . .
C34 C 1.1020(3) 0.1960(3) -0.0129(2) 0.0342(7) Uani 1 1 d . . . . .
H34 H 1.1602 0.1592 -0.0848 0.041 Uiso 1 1 calc R U . . .
C35 C 1.0988(3) 0.1296(3) 0.0850(2) 0.0331(7) Uani 1 1 d . . . . .
H35 H 1.1554 0.0472 0.0804 0.040 Uiso 1 1 calc R U . . .
C36 C 1.0127(3) 0.1836(2) 0.1905(2) 0.0288(6) Uani 1 1 d . . . . .
H36 H 1.0113 0.1375 0.2576 0.035 Uiso 1 1 calc R U . . .
O34 O 0.77195(16) 0.51177(15) 0.33179(15) 0.0259(4) Uani 1 1 d . . . . .
Si4 Si 0.65351(6) 0.64112(6) 0.37618(5) 0.01874(17) Uani 1 1 d . . . . .
O4 O 0.56657(16) 0.63401(15) 0.50949(14) 0.0260(4) Uani 1 1 d . . . . .
C41 C 0.7249(2) 0.7479(2) 0.3489(2) 0.0214(5) Uani 1 1 d . . . . .
C42 C 0.6450(3) 0.8687(2) 0.3701(3) 0.0391(8) Uani 1 1 d . . . . .
H42 H 0.5524 0.8960 0.3992 0.047 Uiso 1 1 calc R U . . .
C43 C 0.6973(4) 0.9504(3) 0.3496(3) 0.0488(9) Uani 1 1 d . . . . .
H43 H 0.6412 1.0325 0.3645 0.059 Uiso 1 1 calc R U . . .
C44 C 0.8318(3) 0.9108(3) 0.3072(3) 0.0438(8) Uani 1 1 d . . . . .
H44 H 0.8685 0.9658 0.2933 0.053 Uiso 1 1 calc R U . . .
C45 C 0.9127(3) 0.7927(3) 0.2853(2) 0.0360(7) Uani 1 1 d . . . . .
H45 H 1.0052 0.7663 0.2554 0.043 Uiso 1 1 calc R U . . .
C46 C 0.8601(3) 0.7112(2) 0.3064(2) 0.0271(6) Uani 1 1 d . . . . .
H46 H 0.9172 0.6293 0.2916 0.033 Uiso 1 1 calc R U . . .
Si6 Si 0.94435(7) 0.29805(7) 0.50085(6) 0.02457(19) Uani 1 1 d . . . . .
H6 H 0.947(2) 0.194(2) 0.572(2) 0.029 Uiso 1 1 d . U . . .
C61 C 1.1150(3) 0.2739(3) 0.3985(2) 0.0368(7) Uani 1 1 d . . . . .
H61A H 1.1516 0.2091 0.3472 0.055 Uiso 1 1 calc R U . . .
H61B H 1.1690 0.2530 0.4399 0.055 Uiso 1 1 calc R U . . .
H61C H 1.1145 0.3469 0.3543 0.055 Uiso 1 1 calc R U . . .
C62 C 0.8612(3) 0.4358(3) 0.5818(2) 0.0367(7) Uani 1 1 d . . . . .
H62A H 0.8461 0.5048 0.5311 0.055 Uiso 1 1 calc R U . . .
H62B H 0.9166 0.4354 0.6144 0.055 Uiso 1 1 calc R U . . .
H62C H 0.7768 0.4405 0.6430 0.055 Uiso 1 1 calc R U . . .
O23 O 0.67251(15) 0.35560(14) 0.37621(14) 0.0226(4) 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 O15 1.6113(18) . ?
Si1 O12 1.6184(17) . ?
Si1 O14 1.6269(17) . ?
Si1 C11 1.843(3) . ?
O14 Si4 1.6159(18) . ?
O15 Si5 1.6394(18) . ?
C11 C12 1.399(3) . ?
C11 C16 1.401(3) . ?
C12 C13 1.378(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
O12 Si2 1.6179(18) . ?
Si2 O4 1.6044(16) 2_666 ?
Si2 O23 1.6121(17) . ?
Si2 C21 1.849(2) . ?
C21 C26 1.385(4) . ?
C21 C22 1.389(3) . ?
C22 C23 1.390(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.371(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
Si5 C51 1.853(3) . ?
Si5 C52 1.853(3) . ?
Si5 H5 1.45(3) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
Si3 O36 1.6045(19) . ?
Si3 O23 1.6194(16) . ?
Si3 O34 1.6216(17) . ?
Si3 C31 1.844(3) . ?
O36 Si6 1.6381(18) . ?
C31 C36 1.395(4) . ?
C31 C32 1.395(4) . ?
C32 C33 1.379(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.393(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
O34 Si4 1.6164(18) . ?
Si4 O4 1.6033(17) . ?
Si4 C41 1.845(2) . ?
O4 Si2 1.6044(16) 2_666 ?
C41 C46 1.393(3) . ?
C41 C42 1.394(4) . ?
C42 C43 1.392(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.380(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.368(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.391(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
Si6 C62 1.846(3) . ?
Si6 C61 1.856(3) . ?
Si6 H6 1.44(3) . ?
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
O15 Si1 O12 107.92(9) . . ?
O15 Si1 O14 107.65(9) . . ?
O12 Si1 O14 110.55(9) . . ?
O15 Si1 C11 111.83(11) . . ?
O12 Si1 C11 110.04(10) . . ?
O14 Si1 C11 108.84(10) . . ?
Si4 O14 Si1 143.48(12) . . ?
Si1 O15 Si5 137.75(11) . . ?
C12 C11 C16 117.2(2) . . ?
C12 C11 Si1 121.15(19) . . ?
C16 C11 Si1 121.66(19) . . ?
C13 C12 C11 121.7(3) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
C12 C13 C14 119.6(3) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.0(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 121.3(2) . . ?
C15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
Si2 O12 Si1 149.90(11) . . ?
O4 Si2 O23 109.74(9) 2_666 . ?
O4 Si2 O12 107.15(9) 2_666 . ?
O23 Si2 O12 109.41(9) . . ?
O4 Si2 C21 108.38(10) 2_666 . ?
O23 Si2 C21 111.14(10) . . ?
O12 Si2 C21 110.93(11) . . ?
C26 C21 C22 117.9(2) . . ?
C26 C21 Si2 122.70(18) . . ?
C22 C21 Si2 119.32(19) . . ?
C21 C22 C23 120.9(3) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.0(3) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 121.0(3) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
O15 Si5 C51 109.16(13) . . ?
O15 Si5 C52 110.20(12) . . ?
C51 Si5 C52 111.10(14) . . ?
O15 Si5 H5 106.5(10) . . ?
C51 Si5 H5 109.7(11) . . ?
C52 Si5 H5 110.2(11) . . ?
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 . . ?
O36 Si3 O23 107.56(9) . . ?
O36 Si3 O34 111.00(9) . . ?
O23 Si3 O34 109.22(9) . . ?
O36 Si3 C31 110.02(11) . . ?
O23 Si3 C31 110.20(9) . . ?
O34 Si3 C31 108.84(10) . . ?
Si3 O36 Si6 147.74(12) . . ?
C36 C31 C32 117.9(2) . . ?
C36 C31 Si3 120.1(2) . . ?
C32 C31 Si3 121.9(2) . . ?
C33 C32 C31 121.5(3) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C34 119.8(3) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C35 C34 C33 120.1(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.9(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.9(3) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
Si4 O34 Si3 143.05(11) . . ?
O4 Si4 O14 108.99(9) . . ?
O4 Si4 O34 109.59(10) . . ?
O14 Si4 O34 109.67(9) . . ?
O4 Si4 C41 110.03(10) . . ?
O14 Si4 C41 109.94(11) . . ?
O34 Si4 C41 108.62(10) . . ?
Si4 O4 Si2 165.76(12) . 2_666 ?
C46 C41 C42 117.5(2) . . ?
C46 C41 Si4 121.52(19) . . ?
C42 C41 Si4 120.9(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 120.4(3) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C45 C46 C41 120.9(3) . . ?
C45 C46 H46 119.5 . . ?
C41 C46 H46 119.5 . . ?
O36 Si6 C62 109.82(12) . . ?
O36 Si6 C61 109.90(12) . . ?
C62 Si6 C61 110.92(13) . . ?
O36 Si6 H6 103.7(9) . . ?
C62 Si6 H6 113.2(10) . . ?
C61 Si6 H6 109.0(10) . . ?
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 . . ?
Si2 O23 Si3 154.42(12) . . ?

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
O15 Si1 O14 Si4 142.63(18) . . . . ?
O12 Si1 O14 Si4 25.0(2) . . . . ?
C11 Si1 O14 Si4 -96.0(2) . . . . ?
O12 Si1 O15 Si5 148.67(16) . . . . ?
O14 Si1 O15 Si5 29.3(2) . . . . ?
C11 Si1 O15 Si5 -90.17(19) . . . . ?
O15 Si1 C11 C12 91.1(2) . . . . ?
O12 Si1 C11 C12 -149.0(2) . . . . ?
O14 Si1 C11 C12 -27.7(3) . . . . ?
O15 Si1 C11 C16 -89.9(2) . . . . ?
O12 Si1 C11 C16 30.1(3) . . . . ?
O14 Si1 C11 C16 151.3(2) . . . . ?
C16 C11 C12 C13 0.1(4) . . . . ?
Si1 C11 C12 C13 179.2(2) . . . . ?
C11 C12 C13 C14 -0.8(5) . . . . ?
C12 C13 C14 C15 0.9(5) . . . . ?
C13 C14 C15 C16 -0.2(5) . . . . ?
C14 C15 C16 C11 -0.6(5) . . . . ?
C12 C11 C16 C15 0.6(4) . . . . ?
Si1 C11 C16 C15 -178.5(2) . . . . ?
O15 Si1 O12 Si2 -179.9(2) . . . . ?
O14 Si1 O12 Si2 -62.4(2) . . . . ?
C11 Si1 O12 Si2 57.9(3) . . . . ?
Si1 O12 Si2 O4 149.9(2) . . . 2_666 ?
Si1 O12 Si2 O23 31.0(3) . . . . ?
Si1 O12 Si2 C21 -92.0(2) . . . . ?
O4 Si2 C21 C26 -146.0(2) 2_666 . . . ?
O23 Si2 C21 C26 -25.3(3) . . . . ?
O12 Si2 C21 C26 96.6(2) . . . . ?
O4 Si2 C21 C22 38.0(3) 2_666 . . . ?
O23 Si2 C21 C22 158.6(2) . . . . ?
O12 Si2 C21 C22 -79.4(2) . . . . ?
C26 C21 C22 C23 0.6(5) . . . . ?
Si2 C21 C22 C23 176.9(3) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
C22 C23 C24 C25 -0.1(6) . . . . ?
C23 C24 C25 C26 -0.1(6) . . . . ?
C22 C21 C26 C25 -0.8(4) . . . . ?
Si2 C21 C26 C25 -176.9(2) . . . . ?
C24 C25 C26 C21 0.6(5) . . . . ?
Si1 O15 Si5 C51 -81.4(2) . . . . ?
Si1 O15 Si5 C52 40.9(2) . . . . ?
O23 Si3 O36 Si6 -150.8(2) . . . . ?
O34 Si3 O36 Si6 -31.4(3) . . . . ?
C31 Si3 O36 Si6 89.2(2) . . . . ?
O36 Si3 C31 C36 32.1(2) . . . . ?
O23 Si3 C31 C36 -86.4(2) . . . . ?
O34 Si3 C31 C36 153.90(18) . . . . ?
O36 Si3 C31 C32 -152.29(19) . . . . ?
O23 Si3 C31 C32 89.3(2) . . . . ?
O34 Si3 C31 C32 -30.5(2) . . . . ?
C36 C31 C32 C33 0.4(4) . . . . ?
Si3 C31 C32 C33 -175.3(2) . . . . ?
C31 C32 C33 C34 0.5(4) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C33 C34 C35 C36 0.5(4) . . . . ?
C34 C35 C36 C31 0.4(4) . . . . ?
C32 C31 C36 C35 -0.8(4) . . . . ?
Si3 C31 C36 C35 175.0(2) . . . . ?
O36 Si3 O34 Si4 -96.3(2) . . . . ?
O23 Si3 O34 Si4 22.1(2) . . . . ?
C31 Si3 O34 Si4 142.48(19) . . . . ?
Si1 O14 Si4 O4 -80.0(2) . . . . ?
Si1 O14 Si4 O34 39.9(2) . . . . ?
Si1 O14 Si4 C41 159.28(19) . . . . ?
Si3 O34 Si4 O4 44.5(2) . . . . ?
Si3 O34 Si4 O14 -75.1(2) . . . . ?
Si3 O34 Si4 C41 164.74(19) . . . . ?
O14 Si4 O4 Si2 32.9(6) . . . 2_666 ?
O34 Si4 O4 Si2 -87.1(5) . . . 2_666 ?
C41 Si4 O4 Si2 153.5(5) . . . 2_666 ?
O4 Si4 C41 C46 114.7(2) . . . . ?
O14 Si4 C41 C46 -125.3(2) . . . . ?
O34 Si4 C41 C46 -5.3(2) . . . . ?
O4 Si4 C41 C42 -65.5(2) . . . . ?
O14 Si4 C41 C42 54.6(2) . . . . ?
O34 Si4 C41 C42 174.6(2) . . . . ?
C46 C41 C42 C43 0.1(4) . . . . ?
Si4 C41 C42 C43 -179.8(2) . . . . ?
C41 C42 C43 C44 0.0(5) . . . . ?
C42 C43 C44 C45 0.3(5) . . . . ?
C43 C44 C45 C46 -0.6(4) . . . . ?
C44 C45 C46 C41 0.7(4) . . . . ?
C42 C41 C46 C45 -0.4(4) . . . . ?
Si4 C41 C46 C45 179.4(2) . . . . ?
Si3 O36 Si6 C62 62.2(3) . . . . ?
Si3 O36 Si6 C61 -60.1(3) . . . . ?
O4 Si2 O23 Si3 -150.2(2) 2_666 . . . ?
O12 Si2 O23 Si3 -32.9(3) . . . . ?
C21 Si2 O23 Si3 90.0(3) . . . . ?
O36 Si3 O23 Si2 169.7(2) . . . . ?
O34 Si3 O23 Si2 49.2(3) . . . . ?
C31 Si3 O23 Si2 -70.3(3) . . . . ?

_refine_diff_density_max         0.439
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.061



