# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

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

data_19mk10
_database_code_depnum_ccdc_archive 'CCDC 2002789'
loop_
_audit_author_name
_audit_author_address
'Nobuhiro Takeda'
;Gunma University
Japan
;
_audit_update_record             
;
2020-05-09 deposited with the CCDC.	2021-02-24 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         'C60 H68 O14 S4 Si10'
_chemical_formula_sum            'C60 H68 O14 S4 Si10'
_chemical_formula_weight         1422.28

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.0930(11)
_cell_length_b                   13.1385(11)
_cell_length_c                   20.1689(18)
_cell_angle_alpha                89.636(3)
_cell_angle_beta                 86.119(3)
_cell_angle_gamma                89.734(3)
_cell_volume                     3461.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    130

_cell_measurement_reflns_used    10799

_cell_measurement_theta_min      2.5

_cell_measurement_theta_max      27.5


_exptl_crystal_description       Prism

_exptl_crystal_colour            Colorless

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_F_000             1488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32

_exptl_crystal_size_mid          0.10

_exptl_crystal_size_min          0.03

_exptl_absorpt_coefficient_mu    0.371
_shelx_estimated_absorpt_T_min   0.891
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   Numerical

_exptl_absorpt_correction_T_min  0.910

_exptl_absorpt_correction_T_max  0.986

_exptl_absorpt_process_details   'CrystalClear; Rigaku, 2013'

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130

_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  
;
Rigaku CrystalClear-SM Expert 2.1 b29
;

_diffrn_measurement_method       'profile data from ω-scans'

_diffrn_detector_area_resol_mean 5.8140

_diffrn_reflns_number            57655
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.542
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             15743
_reflns_number_gt                12685
_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       
;
Rigaku CrystalClear-SM Expert 2.1 b29
;
_computing_cell_refinement       
;
Rigaku CrystalClear-SM Expert 2.1 b29
;
_computing_data_reduction        
;
Rigaku CrystalClear-SM Expert 2.1 b29
;
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'

_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'

_computing_publication_material  
;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;

_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)+(0.0748P)²+2.1347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    ?

_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15743
_refine_ls_number_parameters     797
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1363
_refine_ls_wR_factor_gt          0.1300
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_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 0.12619(4) 0.71921(4) 0.51027(3) 0.01555(13) Uani 1 1 d . . . . .
O1 O 0.08245(12) 0.69621(12) 0.43876(8) 0.0236(3) Uani 1 1 d . . . . .
O2 O 0.06144(12) 0.65480(12) 0.56683(8) 0.0217(3) Uani 1 1 d . . . . .
Si2 Si -0.03208(4) 0.59741(4) 0.60673(3) 0.01510(12) Uani 1 1 d . . . . .
O3 O -0.01205(13) 0.47671(12) 0.60585(8) 0.0244(4) Uani 1 1 d . . . . .
Si3 Si 0.00792(4) 0.35585(4) 0.60027(3) 0.01617(13) Uani 1 1 d . . . . .
O4 O 0.11654(12) 0.33706(12) 0.55854(8) 0.0233(3) Uani 1 1 d . . . . .
Si4 Si 0.19456(4) 0.37401(4) 0.49766(3) 0.01576(13) Uani 1 1 d . . . . .
O5 O 0.13658(12) 0.37938(14) 0.42942(8) 0.0278(4) Uani 1 1 d . . . . .
O6 O 0.23414(13) 0.48533(12) 0.51455(9) 0.0277(4) Uani 1 1 d . . . . .
Si5 Si 0.31159(4) 0.58129(5) 0.51946(3) 0.01937(14) Uani 1 1 d . . . . .
O7 O 0.24471(12) 0.68433(12) 0.50789(9) 0.0238(4) Uani 1 1 d . . . . .
C1 C 0.12163(17) 0.85623(16) 0.53014(11) 0.0183(4) Uani 1 1 d . . . . .
C2 C 0.20309(19) 0.91935(17) 0.50867(12) 0.0245(5) Uani 1 1 d . . . . .
H1 H 0.2596 0.8916 0.4826 0.029 Uiso 1 1 calc R U . . .
C3 C 0.2028(2) 1.02201(18) 0.52481(14) 0.0314(6) Uani 1 1 d . . . . .
H2 H 0.2585 1.0639 0.5095 0.038 Uiso 1 1 calc R U . . .
C4 C 0.1214(2) 1.06325(18) 0.56311(14) 0.0330(6) Uani 1 1 d . . . . .
H3 H 0.1216 1.1332 0.5746 0.040 Uiso 1 1 calc R U . . .
C5 C 0.0401(2) 1.0022(2) 0.58447(14) 0.0329(6) Uani 1 1 d . . . . .
H4 H -0.0160 1.0305 0.6106 0.040 Uiso 1 1 calc R U . . .
C6 C 0.03954(18) 0.89974(18) 0.56800(13) 0.0249(5) Uani 1 1 d . . . . .
H5 H -0.0173 0.8588 0.5826 0.030 Uiso 1 1 calc R U . . .
C7 C -0.04300(17) 0.64546(17) 0.69262(11) 0.0198(4) Uani 1 1 d . . . . .
C8 C 0.01796(19) 0.72581(18) 0.71226(13) 0.0254(5) Uani 1 1 d . . . . .
H6 H 0.0662 0.7558 0.6808 0.030 Uiso 1 1 calc R U . . .
C9 C 0.0092(2) 0.7623(2) 0.77672(14) 0.0331(6) Uani 1 1 d . . . . .
H7 H 0.0513 0.8167 0.7892 0.040 Uiso 1 1 calc R U . . .
C10 C -0.0612(2) 0.7191(2) 0.82280(13) 0.0334(6) Uani 1 1 d . . . . .
H8 H -0.0673 0.7438 0.8671 0.040 Uiso 1 1 calc R U . . .
C11 C -0.1222(2) 0.6405(2) 0.80464(13) 0.0334(6) Uani 1 1 d . . . . .
H9 H -0.1706 0.6114 0.8364 0.040 Uiso 1 1 calc R U . . .
C12 C -0.1132(2) 0.6035(2) 0.73998(13) 0.0291(5) Uani 1 1 d . . . . .
H10 H -0.1555 0.5489 0.7280 0.035 Uiso 1 1 calc R U . . .
C13 C 0.00690(18) 0.29577(17) 0.68345(12) 0.0216(5) Uani 1 1 d . . . . .
C14 C 0.0670(3) 0.3344(3) 0.73231(15) 0.0451(8) Uani 1 1 d . . . . .
H11 H 0.1100 0.3913 0.7225 0.054 Uiso 1 1 calc R U . . .
C15 C 0.0642(3) 0.2898(3) 0.79530(16) 0.0561(9) Uani 1 1 d . . . . .
H12 H 0.1055 0.3163 0.8280 0.067 Uiso 1 1 calc R U . . .
C16 C 0.0023(3) 0.2081(2) 0.81038(15) 0.0453(8) Uani 1 1 d . . . . .
H13 H 0.0005 0.1784 0.8535 0.054 Uiso 1 1 calc R U . . .
C17 C -0.0573(3) 0.1689(2) 0.76292(15) 0.0405(7) Uani 1 1 d . . . . .
H14 H -0.1000 0.1120 0.7733 0.049 Uiso 1 1 calc R U . . .
C18 C -0.0549(2) 0.21266(19) 0.70010(13) 0.0295(5) Uani 1 1 d . . . . .
H15 H -0.0964 0.1852 0.6678 0.035 Uiso 1 1 calc R U . . .
C19 C 0.30220(16) 0.28290(16) 0.48597(13) 0.0227(5) Uani 1 1 d . . . . .
C20 C 0.3561(2) 0.2512(2) 0.53933(16) 0.0378(7) Uani 1 1 d . . . . .
H16 H 0.3364 0.2754 0.5826 0.045 Uiso 1 1 calc R U . . .
C21 C 0.4391(2) 0.1839(2) 0.5303(2) 0.0514(9) Uani 1 1 d . . . . .
H17 H 0.4750 0.1624 0.5673 0.062 Uiso 1 1 calc R U . . .
C22 C 0.4686(2) 0.1491(2) 0.4679(2) 0.0548(10) Uani 1 1 d . . . . .
H18 H 0.5256 0.1043 0.4617 0.066 Uiso 1 1 calc R U . . .
C23 C 0.4161(3) 0.1787(2) 0.4146(2) 0.0535(9) Uani 1 1 d . . . . .
H19 H 0.4365 0.1540 0.3715 0.064 Uiso 1 1 calc R U . . .
C24 C 0.3328(2) 0.2452(2) 0.42310(15) 0.0369(6) Uani 1 1 d . . . . .
H20 H 0.2965 0.2650 0.3858 0.044 Uiso 1 1 calc R U . . .
C25 C 0.35901(19) 0.5831(2) 0.60403(14) 0.0342(6) Uani 1 1 d . . . . .
H41 H 0.4056 0.5244 0.6086 0.041 Uiso 1 1 calc R U . . .
H42 H 0.3996 0.6458 0.6086 0.041 Uiso 1 1 calc R U . . .
C26 C 0.2759(2) 0.5792(2) 0.66089(13) 0.0355(6) Uani 1 1 d . . . . .
H43 H 0.2286 0.6377 0.6568 0.043 Uiso 1 1 calc R U . . .
H44 H 0.2358 0.5160 0.6575 0.043 Uiso 1 1 calc R U . . .
C27 C 0.3204(2) 0.5824(3) 0.72796(15) 0.0439(7) Uani 1 1 d . . . . .
H45 H 0.3527 0.6496 0.7330 0.053 Uiso 1 1 calc R U . . .
H46 H 0.3750 0.5302 0.7290 0.053 Uiso 1 1 calc R U . . .
S1 S 0.22906(7) 0.56120(8) 0.79845(4) 0.0523(2) Uani 1 1 d . . . . .
H1A H 0.2737 0.5344 0.8456 0.078 Uiso 1 1 calc R U . . .
C28 C 0.41691(19) 0.5756(2) 0.45364(13) 0.0301(6) Uani 1 1 d . . . . .
H47 H 0.4780 0.6072 0.4711 0.036 Uiso 1 1 calc R U . . .
H48 H 0.4336 0.5031 0.4452 0.036 Uiso 1 1 calc R U . . .
C29 C 0.3988(2) 0.6262(2) 0.38716(15) 0.0353(6) Uani 1 1 d . . . . .
H49 H 0.3793 0.6982 0.3949 0.042 Uiso 1 1 calc R U . . .
H50 H 0.4634 0.6251 0.3587 0.042 Uiso 1 1 calc R U . . .
C30 C 0.3163(2) 0.5745(2) 0.35112(14) 0.0357(6) Uani 1 1 d . . . . .
H51 H 0.2502 0.5825 0.3774 0.043 Uiso 1 1 calc R U . . .
H52 H 0.3319 0.5008 0.3482 0.043 Uiso 1 1 calc R U . . .
S2 S 0.30297(6) 0.62462(6) 0.26740(4) 0.04209(18) Uani 1 1 d . . . . .
H2A H 0.2740 0.7113 0.2707 0.063 Uiso 1 1 calc R U . . .
Si6 Si 0.72233(4) -0.12899(4) -0.00404(3) 0.01542(13) Uani 1 1 d . . . . .
O8 O 0.68881(12) -0.05814(12) 0.05894(8) 0.0220(3) Uani 1 1 d . . . . .
Si7 Si 0.62486(4) 0.03231(4) 0.09639(3) 0.01509(12) Uani 1 1 d . . . . .
O9 O 0.63846(13) 0.13578(12) 0.05252(8) 0.0239(3) Uani 1 1 d . . . . .
O10 O 0.50508(11) 0.00344(12) 0.10412(8) 0.0210(3) Uani 1 1 d . . . . .
Si8 Si 0.38186(4) -0.00242(4) 0.11009(3) 0.01521(12) Uani 1 1 d . . . . .
O11 O 0.33496(11) 0.08990(12) 0.06827(8) 0.0202(3) Uani 1 1 d . . . . .
O12 O 0.34755(11) -0.10934(12) 0.07838(8) 0.0209(3) Uani 1 1 d . . . . .
Si9 Si 0.37373(4) -0.18948(4) 0.01903(3) 0.01571(13) Uani 1 1 d . . . . .
O13 O 0.49072(12) -0.22520(13) 0.02250(9) 0.0263(4) Uani 1 1 d . . . . .
Si10 Si 0.58274(4) -0.30904(4) 0.02209(3) 0.01836(13) Uani 1 1 d . . . . .
O14 O 0.68963(11) -0.24540(12) 0.01249(8) 0.0215(3) Uani 1 1 d . . . . .
C31 C 0.86257(15) -0.12778(17) -0.02217(11) 0.0183(4) Uani 1 1 d . . . . .
C32 C 0.92384(17) -0.20218(19) 0.00543(12) 0.0234(5) Uani 1 1 d . . . . .
H21 H 0.8933 -0.2516 0.0350 0.028 Uiso 1 1 calc R U . . .
C33 C 1.02935(18) -0.2046(2) -0.01007(14) 0.0303(6) Uani 1 1 d . . . . .
H22 H 1.0703 -0.2551 0.0093 0.036 Uiso 1 1 calc R U . . .
C34 C 1.07411(18) -0.1340(2) -0.05346(14) 0.0317(6) Uani 1 1 d . . . . .
H23 H 1.1457 -0.1366 -0.0646 0.038 Uiso 1 1 calc R U . . .
C35 C 1.01473(18) -0.0590(2) -0.08097(14) 0.0293(5) Uani 1 1 d . . . . .
H24 H 1.0457 -0.0098 -0.1105 0.035 Uiso 1 1 calc R U . . .
C36 C 0.90958(17) -0.05617(18) -0.06512(12) 0.0232(5) Uani 1 1 d . . . . .
H25 H 0.8693 -0.0045 -0.0839 0.028 Uiso 1 1 calc R U . . .
C37 C 0.67547(16) 0.04975(17) 0.17869(11) 0.0196(4) Uani 1 1 d . . . . .
C38 C 0.76230(18) -0.0032(2) 0.19683(13) 0.0268(5) Uani 1 1 d . . . . .
H26 H 0.7962 -0.0487 0.1662 0.032 Uiso 1 1 calc R U . . .
C39 C 0.7999(2) 0.0100(2) 0.25921(14) 0.0355(6) Uani 1 1 d . . . . .
H27 H 0.8590 -0.0265 0.2707 0.043 Uiso 1 1 calc R U . . .
C40 C 0.7518(2) 0.0755(2) 0.30411(14) 0.0390(7) Uani 1 1 d . . . . .
H28 H 0.7779 0.0849 0.3465 0.047 Uiso 1 1 calc R U . . .
C41 C 0.6652(2) 0.1276(2) 0.28732(15) 0.0422(7) Uani 1 1 d . . . . .
H29 H 0.6312 0.1721 0.3186 0.051 Uiso 1 1 calc R U . . .
C42 C 0.6273(2) 0.1155(2) 0.22534(14) 0.0340(6) Uani 1 1 d . . . . .
H30 H 0.5680 0.1522 0.2144 0.041 Uiso 1 1 calc R U . . .
C43 C 0.33003(17) 0.00646(17) 0.19710(12) 0.0207(5) Uani 1 1 d . . . . .
C44 C 0.3662(2) -0.0566(2) 0.24663(14) 0.0414(7) Uani 1 1 d . . . . .
H31 H 0.4197 -0.1038 0.2355 0.050 Uiso 1 1 calc R U . . .
C45 C 0.3252(3) -0.0513(3) 0.31151(15) 0.0507(8) Uani 1 1 d . . . . .
H32 H 0.3507 -0.0948 0.3444 0.061 Uiso 1 1 calc R U . . .
C46 C 0.2478(2) 0.0165(3) 0.32858(15) 0.0433(7) Uani 1 1 d . . . . .
H33 H 0.2199 0.0198 0.3732 0.052 Uiso 1 1 calc R U . . .
C47 C 0.2107(2) 0.0794(2) 0.28113(14) 0.0386(7) Uani 1 1 d . . . . .
H34 H 0.1574 0.1265 0.2930 0.046 Uiso 1 1 calc R U . . .
C48 C 0.25091(19) 0.0744(2) 0.21587(13) 0.0289(5) Uani 1 1 d . . . . .
H35 H 0.2242 0.1178 0.1833 0.035 Uiso 1 1 calc R U . . .
C49 C 0.28410(16) -0.29810(16) 0.02969(12) 0.0184(4) Uani 1 1 d . . . . .
C50 C 0.23608(19) -0.32102(19) 0.09171(13) 0.0263(5) Uani 1 1 d . . . . .
H36 H 0.2489 -0.2798 0.1287 0.032 Uiso 1 1 calc R U . . .
C51 C 0.1696(2) -0.4031(2) 0.10044(14) 0.0343(6) Uani 1 1 d . . . . .
H37 H 0.1378 -0.4177 0.1432 0.041 Uiso 1 1 calc R U . . .
C52 C 0.1500(2) -0.4634(2) 0.04688(15) 0.0359(6) Uani 1 1 d . . . . .
H38 H 0.1045 -0.5193 0.0527 0.043 Uiso 1 1 calc R U . . .
C53 C 0.1965(2) -0.4423(2) -0.01505(14) 0.0312(6) Uani 1 1 d . . . . .
H39 H 0.1831 -0.4840 -0.0518 0.037 Uiso 1 1 calc R U . . .
C54 C 0.26283(18) -0.36030(18) -0.02387(13) 0.0239(5) Uani 1 1 d . . . . .
H40 H 0.2942 -0.3462 -0.0668 0.029 Uiso 1 1 calc R U . . .
C55 C 0.5793(2) -0.3722(2) 0.10403(14) 0.0379(6) Uani 1 1 d . . . . .
H53 H 0.5142 -0.4096 0.1123 0.046 Uiso 1 1 calc R U . . .
H54 H 0.6365 -0.4215 0.1054 0.046 Uiso 1 1 calc R U . . .
C56 C 0.5894(4) -0.2852(4) 0.1607(2) 0.0866(15) Uani 1 1 d . . . . .
H55 H 0.6484 -0.2414 0.1468 0.104 Uiso 1 1 calc R U . . .
H56 H 0.5272 -0.2419 0.1617 0.104 Uiso 1 1 calc R U . . .
C57 C 0.6019(4) -0.3195(4) 0.2253(2) 0.0819(13) Uani 1 1 d . . . . .
H57 H 0.6666 -0.3588 0.2254 0.098 Uiso 1 1 calc R U . . .
H58 H 0.5451 -0.3663 0.2388 0.098 Uiso 1 1 calc R U . . .
S3 S 0.60471(9) -0.22213(8) 0.28399(5) 0.0639(3) Uani 1 1 d . . . . .
H3A H 0.6880 -0.1840 0.2807 0.096 Uiso 1 1 calc R U . . .
C58 C 0.57251(19) -0.39268(18) -0.05051(13) 0.0270(5) Uani 1 1 d . . . . .
H59 H 0.6270 -0.4452 -0.0508 0.032 Uiso 1 1 calc R U . . .
H60 H 0.5056 -0.4278 -0.0466 0.032 Uiso 1 1 calc R U . . .
C59 C 0.5825(2) -0.33187(19) -0.11694(13) 0.0314(6) Uani 1 1 d . . . . .
H61 H 0.5283 -0.2790 -0.1163 0.038 Uiso 1 1 calc R U . . .
H62 H 0.6495 -0.2970 -0.1207 0.038 Uiso 1 1 calc R U . . .
C60 C 0.5739(2) -0.3983(2) -0.17688(14) 0.0353(6) Uani 1 1 d . . . . .
H63 H 0.5070 -0.4334 -0.1728 0.042 Uiso 1 1 calc R U . . .
H64 H 0.6281 -0.4511 -0.1773 0.042 Uiso 1 1 calc R U . . .
S4 S 0.58496(6) -0.32983(6) -0.25503(4) 0.03904(17) Uani 1 1 d . . . . .
H4A H 0.6679 -0.2912 -0.2622 0.059 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 O2 1.6123(17) . ?
Si1 O7 1.6136(16) . ?
Si1 O1 1.6182(17) . ?
Si1 C1 1.847(2) . ?
O1 Si3 1.6212(16) 2_566 ?
O2 Si2 1.6071(17) . ?
Si2 O3 1.6062(16) . ?
Si2 O5 1.6201(16) 2_566 ?
Si2 C7 1.844(2) . ?
O3 Si3 1.6116(16) . ?
Si3 O1 1.6211(16) 2_566 ?
Si3 O4 1.6215(17) . ?
Si3 C13 1.849(2) . ?
O4 Si4 1.6167(17) . ?
Si4 O6 1.6003(17) . ?
Si4 O5 1.6173(17) . ?
Si4 C19 1.849(2) . ?
O5 Si2 1.6201(16) 2_566 ?
O6 Si5 1.6294(17) . ?
Si5 O7 1.6329(16) . ?
Si5 C28 1.850(3) . ?
Si5 C25 1.855(3) . ?
C1 C2 1.398(3) . ?
C1 C6 1.398(3) . ?
C2 C3 1.389(3) . ?
C2 H1 0.9500 . ?
C3 C4 1.383(4) . ?
C3 H2 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H3 0.9500 . ?
C5 C6 1.389(3) . ?
C5 H4 0.9500 . ?
C6 H5 0.9500 . ?
C7 C12 1.393(4) . ?
C7 C8 1.402(3) . ?
C8 C9 1.386(4) . ?
C8 H6 0.9500 . ?
C9 C10 1.385(4) . ?
C9 H7 0.9500 . ?
C10 C11 1.375(4) . ?
C10 H8 0.9500 . ?
C11 C12 1.392(4) . ?
C11 H9 0.9500 . ?
C12 H10 0.9500 . ?
C13 C18 1.388(3) . ?
C13 C14 1.401(4) . ?
C14 C15 1.394(4) . ?
C14 H11 0.9500 . ?
C15 C16 1.368(5) . ?
C15 H12 0.9500 . ?
C16 C17 1.379(5) . ?
C16 H13 0.9500 . ?
C17 C18 1.386(4) . ?
C17 H14 0.9500 . ?
C18 H15 0.9500 . ?
C19 C20 1.387(4) . ?
C19 C24 1.397(4) . ?
C20 C21 1.401(4) . ?
C20 H16 0.9500 . ?
C21 C22 1.371(6) . ?
C21 H17 0.9500 . ?
C22 C23 1.369(5) . ?
C22 H18 0.9500 . ?
C23 C24 1.397(4) . ?
C23 H19 0.9500 . ?
C24 H20 0.9500 . ?
C25 C26 1.528(4) . ?
C25 H41 0.9900 . ?
C25 H42 0.9900 . ?
C26 C27 1.510(4) . ?
C26 H43 0.9900 . ?
C26 H44 0.9900 . ?
C27 S1 1.816(3) . ?
C27 H45 0.9900 . ?
C27 H46 0.9900 . ?
S1 H1A 1.2000 . ?
C28 C29 1.525(4) . ?
C28 H47 0.9900 . ?
C28 H48 0.9900 . ?
C29 C30 1.508(4) . ?
C29 H49 0.9900 . ?
C29 H50 0.9900 . ?
C30 S2 1.827(3) . ?
C30 H51 0.9900 . ?
C30 H52 0.9900 . ?
S2 H2A 1.2000 . ?
Si6 O8 1.6150(16) . ?
Si6 O14 1.6167(17) . ?
Si6 O11 1.6199(16) 2_655 ?
Si6 C31 1.848(2) . ?
O8 Si7 1.6125(16) . ?
Si7 O10 1.6123(16) . ?
Si7 O9 1.6213(17) . ?
Si7 C37 1.844(2) . ?
O9 Si9 1.6196(17) 2_655 ?
O10 Si8 1.6118(15) . ?
Si8 O11 1.6156(16) . ?
Si8 O12 1.6249(16) . ?
Si8 C43 1.842(2) . ?
O11 Si6 1.6200(16) 2_655 ?
O12 Si9 1.6174(16) . ?
Si9 O13 1.6058(16) . ?
Si9 O9 1.6196(17) 2_655 ?
Si9 C49 1.854(2) . ?
O13 Si10 1.6284(16) . ?
Si10 O14 1.6333(16) . ?
Si10 C55 1.842(3) . ?
Si10 C58 1.849(2) . ?
C31 C36 1.392(3) . ?
C31 C32 1.398(3) . ?
C32 C33 1.396(3) . ?
C32 H21 0.9500 . ?
C33 C34 1.377(4) . ?
C33 H22 0.9500 . ?
C34 C35 1.388(4) . ?
C34 H23 0.9500 . ?
C35 C36 1.392(3) . ?
C35 H24 0.9500 . ?
C36 H25 0.9500 . ?
C37 C42 1.397(3) . ?
C37 C38 1.398(3) . ?
C38 C39 1.394(3) . ?
C38 H26 0.9500 . ?
C39 C40 1.373(4) . ?
C39 H27 0.9500 . ?
C40 C41 1.382(4) . ?
C40 H28 0.9500 . ?
C41 C42 1.386(4) . ?
C41 H29 0.9500 . ?
C42 H30 0.9500 . ?
C43 C48 1.398(3) . ?
C43 C44 1.399(4) . ?
C44 C45 1.382(4) . ?
C44 H31 0.9500 . ?
C45 C46 1.374(5) . ?
C45 H32 0.9500 . ?
C46 C47 1.372(4) . ?
C46 H33 0.9500 . ?
C47 C48 1.386(4) . ?
C47 H34 0.9500 . ?
C48 H35 0.9500 . ?
C49 C50 1.393(3) . ?
C49 C54 1.402(3) . ?
C50 C51 1.392(4) . ?
C50 H36 0.9500 . ?
C51 C52 1.382(4) . ?
C51 H37 0.9500 . ?
C52 C53 1.379(4) . ?
C52 H38 0.9500 . ?
C53 C54 1.390(3) . ?
C53 H39 0.9500 . ?
C54 H40 0.9500 . ?
C55 C56 1.634(6) . ?
C55 H53 0.9900 . ?
C55 H54 0.9900 . ?
C56 C57 1.395(6) . ?
C56 H55 0.9900 . ?
C56 H56 0.9900 . ?
C57 S3 1.751(5) . ?
C57 H57 0.9900 . ?
C57 H58 0.9900 . ?
S3 H3A 1.2000 . ?
C58 C59 1.554(4) . ?
C58 H59 0.9900 . ?
C58 H60 0.9900 . ?
C59 C60 1.506(4) . ?
C59 H61 0.9900 . ?
C59 H62 0.9900 . ?
C60 S4 1.807(3) . ?
C60 H63 0.9900 . ?
C60 H64 0.9900 . ?
S4 H4A 1.2000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Si1 O7 109.47(9) . . ?
O2 Si1 O1 109.16(9) . . ?
O7 Si1 O1 108.46(9) . . ?
O2 Si1 C1 110.43(10) . . ?
O7 Si1 C1 107.24(9) . . ?
O1 Si1 C1 112.00(9) . . ?
Si1 O1 Si3 146.08(12) . 2_566 ?
Si2 O2 Si1 161.09(11) . . ?
O3 Si2 O2 109.84(9) . . ?
O3 Si2 O5 108.44(9) . 2_566 ?
O2 Si2 O5 109.11(9) . 2_566 ?
O3 Si2 C7 110.85(10) . . ?
O2 Si2 C7 108.37(10) . . ?
O5 Si2 C7 110.22(9) 2_566 . ?
Si2 O3 Si3 176.62(12) . . ?
O3 Si3 O1 109.61(9) . 2_566 ?
O3 Si3 O4 108.54(9) . . ?
O1 Si3 O4 109.05(9) 2_566 . ?
O3 Si3 C13 111.12(10) . . ?
O1 Si3 C13 107.42(10) 2_566 . ?
O4 Si3 C13 111.07(10) . . ?
Si4 O4 Si3 146.71(11) . . ?
O6 Si4 O4 108.00(9) . . ?
O6 Si4 O5 109.00(10) . . ?
O4 Si4 O5 110.38(9) . . ?
O6 Si4 C19 111.30(10) . . ?
O4 Si4 C19 109.97(10) . . ?
O5 Si4 C19 108.21(10) . . ?
Si4 O5 Si2 148.09(12) . 2_566 ?
Si4 O6 Si5 159.59(12) . . ?
O6 Si5 O7 106.91(9) . . ?
O6 Si5 C28 111.16(11) . . ?
O7 Si5 C28 108.22(11) . . ?
O6 Si5 C25 108.68(12) . . ?
O7 Si5 C25 109.31(11) . . ?
C28 Si5 C25 112.41(12) . . ?
Si1 O7 Si5 138.65(11) . . ?
C2 C1 C6 117.9(2) . . ?
C2 C1 Si1 120.04(17) . . ?
C6 C1 Si1 122.01(18) . . ?
C3 C2 C1 121.0(2) . . ?
C3 C2 H1 119.5 . . ?
C1 C2 H1 119.5 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H2 119.9 . . ?
C2 C3 H2 119.9 . . ?
C5 C4 C3 119.7(2) . . ?
C5 C4 H3 120.2 . . ?
C3 C4 H3 120.2 . . ?
C4 C5 C6 120.5(2) . . ?
C4 C5 H4 119.8 . . ?
C6 C5 H4 119.8 . . ?
C5 C6 C1 120.8(2) . . ?
C5 C6 H5 119.6 . . ?
C1 C6 H5 119.6 . . ?
C12 C7 C8 117.9(2) . . ?
C12 C7 Si2 120.82(17) . . ?
C8 C7 Si2 121.32(19) . . ?
C9 C8 C7 121.3(2) . . ?
C9 C8 H6 119.4 . . ?
C7 C8 H6 119.4 . . ?
C10 C9 C8 119.7(2) . . ?
C10 C9 H7 120.2 . . ?
C8 C9 H7 120.2 . . ?
C11 C10 C9 120.1(2) . . ?
C11 C10 H8 119.9 . . ?
C9 C10 H8 119.9 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H9 119.9 . . ?
C12 C11 H9 119.9 . . ?
C11 C12 C7 120.8(2) . . ?
C11 C12 H10 119.6 . . ?
C7 C12 H10 119.6 . . ?
C18 C13 C14 117.8(2) . . ?
C18 C13 Si3 121.31(19) . . ?
C14 C13 Si3 120.9(2) . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H11 119.8 . . ?
C13 C14 H11 119.8 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H12 119.8 . . ?
C14 C15 H12 119.8 . . ?
C15 C16 C17 119.9(3) . . ?
C15 C16 H13 120.0 . . ?
C17 C16 H13 120.0 . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 H14 120.0 . . ?
C18 C17 H14 120.0 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H15 119.3 . . ?
C13 C18 H15 119.3 . . ?
C20 C19 C24 118.0(2) . . ?
C20 C19 Si4 120.9(2) . . ?
C24 C19 Si4 121.08(19) . . ?
C19 C20 C21 120.9(3) . . ?
C19 C20 H16 119.5 . . ?
C21 C20 H16 119.5 . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H17 120.0 . . ?
C20 C21 H17 120.0 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H18 119.9 . . ?
C21 C22 H18 119.9 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H19 119.8 . . ?
C24 C23 H19 119.8 . . ?
C19 C24 C23 120.6(3) . . ?
C19 C24 H20 119.7 . . ?
C23 C24 H20 119.7 . . ?
C26 C25 Si5 115.08(17) . . ?
C26 C25 H41 108.5 . . ?
Si5 C25 H41 108.5 . . ?
C26 C25 H42 108.5 . . ?
Si5 C25 H42 108.5 . . ?
H41 C25 H42 107.5 . . ?
C27 C26 C25 111.9(2) . . ?
C27 C26 H43 109.2 . . ?
C25 C26 H43 109.2 . . ?
C27 C26 H44 109.2 . . ?
C25 C26 H44 109.2 . . ?
H43 C26 H44 107.9 . . ?
C26 C27 S1 115.0(2) . . ?
C26 C27 H45 108.5 . . ?
S1 C27 H45 108.5 . . ?
C26 C27 H46 108.5 . . ?
S1 C27 H46 108.5 . . ?
H45 C27 H46 107.5 . . ?
C27 S1 H1A 109.5 . . ?
C29 C28 Si5 117.42(17) . . ?
C29 C28 H47 107.9 . . ?
Si5 C28 H47 107.9 . . ?
C29 C28 H48 107.9 . . ?
Si5 C28 H48 107.9 . . ?
H47 C28 H48 107.2 . . ?
C30 C29 C28 112.8(2) . . ?
C30 C29 H49 109.0 . . ?
C28 C29 H49 109.0 . . ?
C30 C29 H50 109.0 . . ?
C28 C29 H50 109.0 . . ?
H49 C29 H50 107.8 . . ?
C29 C30 S2 113.6(2) . . ?
C29 C30 H51 108.8 . . ?
S2 C30 H51 108.8 . . ?
C29 C30 H52 108.8 . . ?
S2 C30 H52 108.8 . . ?
H51 C30 H52 107.7 . . ?
C30 S2 H2A 109.5 . . ?
O8 Si6 O14 109.42(9) . . ?
O8 Si6 O11 109.47(8) . 2_655 ?
O14 Si6 O11 109.12(9) . 2_655 ?
O8 Si6 C31 111.23(9) . . ?
O14 Si6 C31 107.33(9) . . ?
O11 Si6 C31 110.23(10) 2_655 . ?
Si7 O8 Si6 154.30(11) . . ?
O10 Si7 O8 109.86(9) . . ?
O10 Si7 O9 108.84(9) . . ?
O8 Si7 O9 109.04(9) . . ?
O10 Si7 C37 110.53(10) . . ?
O8 Si7 C37 108.17(9) . . ?
O9 Si7 C37 110.38(10) . . ?
Si9 O9 Si7 146.23(11) 2_655 . ?
Si8 O10 Si7 169.05(12) . . ?
O10 Si8 O11 109.64(9) . . ?
O10 Si8 O12 108.52(8) . . ?
O11 Si8 O12 108.49(9) . . ?
O10 Si8 C43 111.71(9) . . ?
O11 Si8 C43 108.56(10) . . ?
O12 Si8 C43 109.87(10) . . ?
Si8 O11 Si6 149.48(11) . 2_655 ?
Si9 O12 Si8 144.04(11) . . ?
O13 Si9 O12 108.12(9) . . ?
O13 Si9 O9 108.30(10) . 2_655 ?
O12 Si9 O9 110.46(9) . 2_655 ?
O13 Si9 C49 111.79(9) . . ?
O12 Si9 C49 108.59(10) . . ?
O9 Si9 C49 109.58(9) 2_655 . ?
Si9 O13 Si10 154.28(12) . . ?
O13 Si10 O14 106.35(9) . . ?
O13 Si10 C55 108.78(12) . . ?
O14 Si10 C55 107.71(12) . . ?
O13 Si10 C58 108.32(10) . . ?
O14 Si10 C58 108.82(11) . . ?
C55 Si10 C58 116.42(13) . . ?
Si6 O14 Si10 136.44(10) . . ?
C36 C31 C32 118.3(2) . . ?
C36 C31 Si6 121.52(16) . . ?
C32 C31 Si6 120.14(18) . . ?
C33 C32 C31 120.7(2) . . ?
C33 C32 H21 119.7 . . ?
C31 C32 H21 119.7 . . ?
C34 C33 C32 120.1(2) . . ?
C34 C33 H22 120.0 . . ?
C32 C33 H22 120.0 . . ?
C33 C34 C35 120.1(2) . . ?
C33 C34 H23 119.9 . . ?
C35 C34 H23 119.9 . . ?
C34 C35 C36 119.8(2) . . ?
C34 C35 H24 120.1 . . ?
C36 C35 H24 120.1 . . ?
C31 C36 C35 121.0(2) . . ?
C31 C36 H25 119.5 . . ?
C35 C36 H25 119.5 . . ?
C42 C37 C38 117.8(2) . . ?
C42 C37 Si7 120.96(17) . . ?
C38 C37 Si7 121.25(18) . . ?
C39 C38 C37 121.0(2) . . ?
C39 C38 H26 119.5 . . ?
C37 C38 H26 119.5 . . ?
C40 C39 C38 120.3(2) . . ?
C40 C39 H27 119.9 . . ?
C38 C39 H27 119.9 . . ?
C39 C40 C41 119.6(2) . . ?
C39 C40 H28 120.2 . . ?
C41 C40 H28 120.2 . . ?
C40 C41 C42 120.7(3) . . ?
C40 C41 H29 119.7 . . ?
C42 C41 H29 119.7 . . ?
C41 C42 C37 120.7(2) . . ?
C41 C42 H30 119.6 . . ?
C37 C42 H30 119.6 . . ?
C48 C43 C44 117.4(2) . . ?
C48 C43 Si8 121.29(19) . . ?
C44 C43 Si8 121.32(19) . . ?
C45 C44 C43 121.0(3) . . ?
C45 C44 H31 119.5 . . ?
C43 C44 H31 119.5 . . ?
C46 C45 C44 120.3(3) . . ?
C46 C45 H32 119.8 . . ?
C44 C45 H32 119.8 . . ?
C47 C46 C45 120.0(3) . . ?
C47 C46 H33 120.0 . . ?
C45 C46 H33 120.0 . . ?
C46 C47 C48 120.1(3) . . ?
C46 C47 H34 119.9 . . ?
C48 C47 H34 119.9 . . ?
C47 C48 C43 121.1(3) . . ?
C47 C48 H35 119.4 . . ?
C43 C48 H35 119.4 . . ?
C50 C49 C54 117.7(2) . . ?
C50 C49 Si9 120.78(17) . . ?
C54 C49 Si9 121.48(18) . . ?
C51 C50 C49 121.3(2) . . ?
C51 C50 H36 119.4 . . ?
C49 C50 H36 119.4 . . ?
C52 C51 C50 119.9(3) . . ?
C52 C51 H37 120.1 . . ?
C50 C51 H37 120.1 . . ?
C53 C52 C51 120.0(2) . . ?
C53 C52 H38 120.0 . . ?
C51 C52 H38 120.0 . . ?
C52 C53 C54 120.2(2) . . ?
C52 C53 H39 119.9 . . ?
C54 C53 H39 119.9 . . ?
C53 C54 C49 120.9(2) . . ?
C53 C54 H40 119.5 . . ?
C49 C54 H40 119.5 . . ?
C56 C55 Si10 108.4(2) . . ?
C56 C55 H53 110.0 . . ?
Si10 C55 H53 110.0 . . ?
C56 C55 H54 110.0 . . ?
Si10 C55 H54 110.0 . . ?
H53 C55 H54 108.4 . . ?
C57 C56 C55 116.8(4) . . ?
C57 C56 H55 108.1 . . ?
C55 C56 H55 108.1 . . ?
C57 C56 H56 108.1 . . ?
C55 C56 H56 108.1 . . ?
H55 C56 H56 107.3 . . ?
C56 C57 S3 114.1(4) . . ?
C56 C57 H57 108.7 . . ?
S3 C57 H57 108.7 . . ?
C56 C57 H58 108.7 . . ?
S3 C57 H58 108.7 . . ?
H57 C57 H58 107.6 . . ?
C57 S3 H3A 109.5 . . ?
C59 C58 Si10 111.79(17) . . ?
C59 C58 H59 109.3 . . ?
Si10 C58 H59 109.3 . . ?
C59 C58 H60 109.3 . . ?
Si10 C58 H60 109.3 . . ?
H59 C58 H60 107.9 . . ?
C60 C59 C58 112.8(2) . . ?
C60 C59 H61 109.0 . . ?
C58 C59 H61 109.0 . . ?
C60 C59 H62 109.0 . . ?
C58 C59 H62 109.0 . . ?
H61 C59 H62 107.8 . . ?
C59 C60 S4 114.0(2) . . ?
C59 C60 H63 108.8 . . ?
S4 C60 H63 108.8 . . ?
C59 C60 H64 108.8 . . ?
S4 C60 H64 108.8 . . ?
H63 C60 H64 107.7 . . ?
C60 S4 H4A 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Si1 O1 Si3 10.0(2) . . . 2_566 ?
O7 Si1 O1 Si3 129.3(2) . . . 2_566 ?
C1 Si1 O1 Si3 -112.6(2) . . . 2_566 ?
O7 Si1 O2 Si2 -150.8(3) . . . . ?
O1 Si1 O2 Si2 -32.2(4) . . . . ?
C1 Si1 O2 Si2 91.3(4) . . . . ?
Si1 O2 Si2 O3 111.0(3) . . . . ?
Si1 O2 Si2 O5 -7.7(4) . . . 2_566 ?
Si1 O2 Si2 C7 -127.7(3) . . . . ?
O3 Si3 O4 Si4 -37.0(2) . . . . ?
O1 Si3 O4 Si4 82.3(2) 2_566 . . . ?
C13 Si3 O4 Si4 -159.48(19) . . . . ?
Si3 O4 Si4 O6 64.8(2) . . . . ?
Si3 O4 Si4 O5 -54.3(2) . . . . ?
Si3 O4 Si4 C19 -173.58(19) . . . . ?
O6 Si4 O5 Si2 -84.1(3) . . . 2_566 ?
O4 Si4 O5 Si2 34.4(3) . . . 2_566 ?
C19 Si4 O5 Si2 154.7(2) . . . 2_566 ?
O4 Si4 O6 Si5 141.6(4) . . . . ?
O5 Si4 O6 Si5 -98.5(4) . . . . ?
C19 Si4 O6 Si5 20.8(4) . . . . ?
Si4 O6 Si5 O7 143.8(4) . . . . ?
Si4 O6 Si5 C28 25.9(4) . . . . ?
Si4 O6 Si5 C25 -98.3(4) . . . . ?
O2 Si1 O7 Si5 33.1(2) . . . . ?
O1 Si1 O7 Si5 -85.88(19) . . . . ?
C1 Si1 O7 Si5 152.98(17) . . . . ?
O6 Si5 O7 Si1 18.3(2) . . . . ?
C28 Si5 O7 Si1 138.08(18) . . . . ?
C25 Si5 O7 Si1 -99.20(19) . . . . ?
O2 Si1 C1 C2 150.93(18) . . . . ?
O7 Si1 C1 C2 31.7(2) . . . . ?
O1 Si1 C1 C2 -87.17(19) . . . . ?
O2 Si1 C1 C6 -27.3(2) . . . . ?
O7 Si1 C1 C6 -146.57(19) . . . . ?
O1 Si1 C1 C6 94.5(2) . . . . ?
C6 C1 C2 C3 0.4(4) . . . . ?
Si1 C1 C2 C3 -177.96(19) . . . . ?
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C3 C4 C5 -0.8(4) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C2 C1 C6 C5 -1.0(3) . . . . ?
Si1 C1 C6 C5 177.36(19) . . . . ?
O3 Si2 C7 C12 -54.6(2) . . . . ?
O2 Si2 C7 C12 -175.23(18) . . . . ?
O5 Si2 C7 C12 65.4(2) 2_566 . . . ?
O3 Si2 C7 C8 126.07(19) . . . . ?
O2 Si2 C7 C8 5.5(2) . . . . ?
O5 Si2 C7 C8 -113.87(19) 2_566 . . . ?
C12 C7 C8 C9 0.2(4) . . . . ?
Si2 C7 C8 C9 179.57(19) . . . . ?
C7 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C11 -0.1(4) . . . . ?
C9 C10 C11 C12 0.4(4) . . . . ?
C10 C11 C12 C7 -0.3(4) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
Si2 C7 C12 C11 -179.3(2) . . . . ?
O3 Si3 C13 C18 127.3(2) . . . . ?
O1 Si3 C13 C18 7.4(2) 2_566 . . . ?
O4 Si3 C13 C18 -111.8(2) . . . . ?
O3 Si3 C13 C14 -51.2(3) . . . . ?
O1 Si3 C13 C14 -171.1(2) 2_566 . . . ?
O4 Si3 C13 C14 69.7(2) . . . . ?
C18 C13 C14 C15 0.2(5) . . . . ?
Si3 C13 C14 C15 178.7(3) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C15 C16 C17 C18 -0.3(5) . . . . ?
C16 C17 C18 C13 0.1(4) . . . . ?
C14 C13 C18 C17 -0.1(4) . . . . ?
Si3 C13 C18 C17 -178.6(2) . . . . ?
O6 Si4 C19 C20 70.1(2) . . . . ?
O4 Si4 C19 C20 -49.5(2) . . . . ?
O5 Si4 C19 C20 -170.1(2) . . . . ?
O6 Si4 C19 C24 -108.8(2) . . . . ?
O4 Si4 C19 C24 131.5(2) . . . . ?
O5 Si4 C19 C24 10.9(2) . . . . ?
C24 C19 C20 C21 0.4(4) . . . . ?
Si4 C19 C20 C21 -178.5(2) . . . . ?
C19 C20 C21 C22 0.5(5) . . . . ?
C20 C21 C22 C23 -1.0(5) . . . . ?
C21 C22 C23 C24 0.5(5) . . . . ?
C20 C19 C24 C23 -0.9(4) . . . . ?
Si4 C19 C24 C23 178.1(2) . . . . ?
C22 C23 C24 C19 0.4(5) . . . . ?
O6 Si5 C25 C26 -51.9(2) . . . . ?
O7 Si5 C25 C26 64.5(2) . . . . ?
C28 Si5 C25 C26 -175.3(2) . . . . ?
Si5 C25 C26 C27 -179.3(2) . . . . ?
C25 C26 C27 S1 -172.2(2) . . . . ?
O6 Si5 C28 C29 88.6(2) . . . . ?
O7 Si5 C28 C29 -28.5(2) . . . . ?
C25 Si5 C28 C29 -149.3(2) . . . . ?
Si5 C28 C29 C30 -65.7(3) . . . . ?
C28 C29 C30 S2 -173.54(19) . . . . ?
O14 Si6 O8 Si7 -116.0(3) . . . . ?
O11 Si6 O8 Si7 3.5(3) 2_655 . . . ?
C31 Si6 O8 Si7 125.6(3) . . . . ?
Si6 O8 Si7 O10 67.2(3) . . . . ?
Si6 O8 Si7 O9 -52.0(3) . . . . ?
Si6 O8 Si7 C37 -172.1(3) . . . . ?
O10 Si7 O9 Si9 -63.7(2) . . . 2_655 ?
O8 Si7 O9 Si9 56.2(2) . . . 2_655 ?
C37 Si7 O9 Si9 174.86(19) . . . 2_655 ?
O8 Si7 O10 Si8 -146.2(6) . . . . ?
O9 Si7 O10 Si8 -26.9(6) . . . . ?
C37 Si7 O10 Si8 94.5(6) . . . . ?
Si7 O10 Si8 O11 28.5(6) . . . . ?
Si7 O10 Si8 O12 146.8(6) . . . . ?
Si7 O10 Si8 C43 -91.9(6) . . . . ?
O10 Si8 O11 Si6 108.3(2) . . . 2_655 ?
O12 Si8 O11 Si6 -10.1(2) . . . 2_655 ?
C43 Si8 O11 Si6 -129.5(2) . . . 2_655 ?
O10 Si8 O12 Si9 -37.9(2) . . . . ?
O11 Si8 O12 Si9 81.13(19) . . . . ?
C43 Si8 O12 Si9 -160.33(17) . . . . ?
Si8 O12 Si9 O13 56.4(2) . . . . ?
Si8 O12 Si9 O9 -62.0(2) . . . 2_655 ?
Si8 O12 Si9 C49 177.85(17) . . . . ?
O12 Si9 O13 Si10 133.5(3) . . . . ?
O9 Si9 O13 Si10 -106.8(3) 2_655 . . . ?
C49 Si9 O13 Si10 14.0(3) . . . . ?
Si9 O13 Si10 O14 166.7(3) . . . . ?
Si9 O13 Si10 C55 -77.6(3) . . . . ?
Si9 O13 Si10 C58 49.9(3) . . . . ?
O8 Si6 O14 Si10 70.19(18) . . . . ?
O11 Si6 O14 Si10 -49.57(18) 2_655 . . . ?
C31 Si6 O14 Si10 -169.00(15) . . . . ?
O13 Si10 O14 Si6 -8.40(19) . . . . ?
C55 Si10 O14 Si6 -124.87(17) . . . . ?
C58 Si10 O14 Si6 108.10(17) . . . . ?
O8 Si6 C31 C36 -89.6(2) . . . . ?
O14 Si6 C31 C36 150.74(18) . . . . ?
O11 Si6 C31 C36 32.0(2) 2_655 . . . ?
O8 Si6 C31 C32 92.87(19) . . . . ?
O14 Si6 C31 C32 -26.8(2) . . . . ?
O11 Si6 C31 C32 -145.52(18) 2_655 . . . ?
C36 C31 C32 C33 -0.3(3) . . . . ?
Si6 C31 C32 C33 177.30(18) . . . . ?
C31 C32 C33 C34 -0.6(4) . . . . ?
C32 C33 C34 C35 1.2(4) . . . . ?
C33 C34 C35 C36 -0.7(4) . . . . ?
C32 C31 C36 C35 0.8(3) . . . . ?
Si6 C31 C36 C35 -176.81(18) . . . . ?
C34 C35 C36 C31 -0.3(4) . . . . ?
O10 Si7 C37 C42 -52.5(2) . . . . ?
O8 Si7 C37 C42 -172.8(2) . . . . ?
O9 Si7 C37 C42 67.9(2) . . . . ?
O10 Si7 C37 C38 126.7(2) . . . . ?
O8 Si7 C37 C38 6.3(2) . . . . ?
O9 Si7 C37 C38 -112.9(2) . . . . ?
C42 C37 C38 C39 -0.5(4) . . . . ?
Si7 C37 C38 C39 -179.7(2) . . . . ?
C37 C38 C39 C40 0.1(4) . . . . ?
C38 C39 C40 C41 0.7(5) . . . . ?
C39 C40 C41 C42 -0.9(5) . . . . ?
C40 C41 C42 C37 0.5(5) . . . . ?
C38 C37 C42 C41 0.2(4) . . . . ?
Si7 C37 C42 C41 179.4(2) . . . . ?
O10 Si8 C43 C48 130.4(2) . . . . ?
O11 Si8 C43 C48 9.4(2) . . . . ?
O12 Si8 C43 C48 -109.1(2) . . . . ?
O10 Si8 C43 C44 -51.6(2) . . . . ?
O11 Si8 C43 C44 -172.6(2) . . . . ?
O12 Si8 C43 C44 68.9(2) . . . . ?
C48 C43 C44 C45 -0.3(4) . . . . ?
Si8 C43 C44 C45 -178.4(3) . . . . ?
C43 C44 C45 C46 0.0(5) . . . . ?
C44 C45 C46 C47 0.0(5) . . . . ?
C45 C46 C47 C48 0.3(5) . . . . ?
C46 C47 C48 C43 -0.6(4) . . . . ?
C44 C43 C48 C47 0.6(4) . . . . ?
Si8 C43 C48 C47 178.7(2) . . . . ?
O13 Si9 C49 C50 96.03(19) . . . . ?
O12 Si9 C49 C50 -23.2(2) . . . . ?
O9 Si9 C49 C50 -143.90(18) 2_655 . . . ?
O13 Si9 C49 C54 -83.5(2) . . . . ?
O12 Si9 C49 C54 157.31(17) . . . . ?
O9 Si9 C49 C54 36.6(2) 2_655 . . . ?
C54 C49 C50 C51 0.3(4) . . . . ?
Si9 C49 C50 C51 -179.2(2) . . . . ?
C49 C50 C51 C52 -0.2(4) . . . . ?
C50 C51 C52 C53 0.2(4) . . . . ?
C51 C52 C53 C54 -0.2(4) . . . . ?
C52 C53 C54 C49 0.3(4) . . . . ?
C50 C49 C54 C53 -0.4(3) . . . . ?
Si9 C49 C54 C53 179.16(18) . . . . ?
O13 Si10 C55 C56 -57.3(3) . . . . ?
O14 Si10 C55 C56 57.5(3) . . . . ?
C58 Si10 C55 C56 180.0(3) . . . . ?
Si10 C55 C56 C57 -171.8(4) . . . . ?
C55 C56 C57 S3 -176.5(3) . . . . ?
O13 Si10 C58 C59 60.4(2) . . . . ?
O14 Si10 C58 C59 -54.9(2) . . . . ?
C55 Si10 C58 C59 -176.75(18) . . . . ?
Si10 C58 C59 C60 -179.71(19) . . . . ?
C58 C59 C60 S4 179.89(18) . . . . ?

_refine_diff_density_max         1.303
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.078



_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_diffrn_radiation_source         ?
_diffrn_radiation_monochromator  Confocal
_chemical_absolute_configuration ?
