 
data_s93
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C24 H36 O18 Si12'
_chemical_formula_weight          949.61
 
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'
 
_symmetry_cell_setting            orthorhombic
_symmetry_space_group_name_H-M    Pbca
_symmetry_space_group_name_hall   '-P 2ac 2ab'
 
loop_
 _symmetry_equiv_pos_as_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                    17.4597(7)
_cell_length_b                    17.3538(7)
_cell_length_c                    28.3363(14)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      8585.7(6)
_cell_formula_units_Z             8
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     9118
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Block
_exptl_crystal_colour             Colourless
_exptl_crystal_size_max           0.25
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.10
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.469
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              3936
_exptl_absorpt_coefficient_mu     0.429
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9003
_exptl_absorpt_correction_T_max   0.9584
_exptl_absorpt_process_details    'SORTAV (R.H>Blessing, 1995, 1997)'
 
_exptl_special_details
;
 PLEASE NOTE cell_measurement_ fields are not relevant to area detector data,
 the entire data set is used to refine the cell, which is indexed from all
 observed reflections in a 10 degree phi range.
;
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'φ and ω scans to fill Ewald Sphere'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             35359
_diffrn_reflns_av_R_equivalents   0.3375
_diffrn_reflns_av_sigmaI/netI     0.3341
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_l_min        -28
_diffrn_reflns_limit_l_max        33
_diffrn_reflns_theta_min          3.40
_diffrn_reflns_theta_max          25.02
_reflns_number_total              7552
_reflns_number_gt                 3039
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection
' DENZO (Otwinowski and Minor, 1997)'
_computing_cell_refinement        
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction         
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'PLATON (Spek, 1990)'
_computing_publication_material   ? 
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0808P)²+250.3985P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          7552
_refine_ls_number_parameters      487
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.3015
_refine_ls_R_factor_gt            0.1434
_refine_ls_wR_factor_ref          0.3783
_refine_ls_wR_factor_gt           0.3186
_refine_ls_goodness_of_fit_ref    1.037
_refine_ls_restrained_S_all       1.037
_refine_ls_shift/su_max           0.020
_refine_ls_shift/su_mean          0.001
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Si1 Si 0.0535(3) 0.5808(3) 0.07210(17) 0.0299(12) Uani 1 1 d . . .
Si4 Si -0.1486(2) 0.6978(3) 0.17573(16) 0.0269(11) Uani 1 1 d . . .
Si2 Si 0.1366(3) 0.6084(3) 0.16860(17) 0.0312(12) Uani 1 1 d . . .
Si6 Si -0.0887(2) 0.7584(3) 0.01047(18) 0.0343(13) Uani 1 1 d . . .
Si3 Si -0.0045(3) 0.6450(3) 0.23338(17) 0.0298(12) Uani 1 1 d . . .
Si10 Si 0.0496(3) 0.8188(3) 0.24160(18) 0.0332(12) Uani 1 1 d . . .
Si9 Si 0.1755(3) 0.7819(3) 0.16672(18) 0.0308(12) Uani 1 1 d . . .
Si7 Si 0.0806(3) 0.7061(3) -0.00337(18) 0.0342(13) Uani 1 1 d . . .
Si11 Si -0.0859(3) 0.8704(3) 0.17801(18) 0.0320(12) Uani 1 1 d . . .
Si8 Si 0.1317(3) 0.8384(3) 0.06531(17) 0.0309(12) Uani 1 1 d . . .
Si12 Si -0.0357(3) 0.8973(3) 0.07334(18) 0.0337(13) Uani 1 1 d . . .
Si5 Si -0.1190(3) 0.6244(3) 0.07704(16) 0.0310(12) Uani 1 1 d . . .
O1 O 0.1130(6) 0.5962(6) 0.1141(4) 0.033(3) Uani 1 1 d . . .
O12 O 0.1272(6) 0.7702(6) 0.0262(4) 0.036(3) Uani 1 1 d . . .
O6 O -0.1289(6) 0.6845(7) 0.0343(4) 0.041(3) Uani 1 1 d . . .
O4 O -0.1576(5) 0.6607(7) 0.1240(4) 0.033(3) Uani 1 1 d . . .
O14 O 0.1253(6) 0.8190(7) 0.2073(5) 0.044(3) Uani 1 1 d . . .
O11 O -0.0074(6) 0.7340(7) -0.0111(4) 0.042(3) Uani 1 1 d . . .
O10 O -0.1240(6) 0.7852(6) 0.1699(4) 0.037(3) Uani 1 1 d . . .
O13 O 0.1362(6) 0.7987(7) 0.1167(4) 0.038(3) Uani 1 1 d . . .
O3 O -0.0831(6) 0.6512(7) 0.2039(4) 0.043(3) Uani 1 1 d . . .
O8 O 0.1782(6) 0.6896(6) 0.1734(4) 0.034(3) Uani 1 1 d . . .
O5 O -0.0278(6) 0.6177(7) 0.0880(4) 0.036(3) Uani 1 1 d . . .
O7 O 0.0812(6) 0.6272(7) 0.0264(4) 0.043(3) Uani 1 1 d . . .
O9 O 0.0230(6) 0.7300(6) 0.2502(4) 0.038(3) Uani 1 1 d . . .
O15 O -0.0189(6) 0.8643(6) 0.2169(4) 0.036(3) Uani 1 1 d . . .
O2 O 0.0619(6) 0.6058(7) 0.1994(4) 0.038(3) Uani 1 1 d . . .
O16 O -0.0488(6) 0.9002(6) 0.1292(4) 0.036(3) Uani 1 1 d . . .
O17 O 0.0547(6) 0.8955(7) 0.0628(4) 0.037(3) Uani 1 1 d . . .
C7 C -0.2410(9) 0.6864(10) 0.2055(6) 0.035(5) Uani 1 1 d . . .
H7 H -0.2431 0.7005 0.2378 0.042 Uiso 1 1 calc R . .
O18 O -0.0755(7) 0.8234(7) 0.0509(4) 0.047(3) Uani 1 1 d . . .
C2 C 0.0831(10) 0.4242(12) 0.0837(7) 0.048(5) Uani 1 1 d . . .
H2A H 0.1160 0.4378 0.1091 0.057 Uiso 1 1 calc R . .
H2B H 0.0766 0.3716 0.0753 0.057 Uiso 1 1 calc R . .
C5 C -0.0217(9) 0.5855(11) 0.2857(8) 0.044(5) Uani 1 1 d . . .
H5 H -0.0349 0.5329 0.2809 0.053 Uiso 1 1 calc R . .
C13 C 0.1287(11) 0.6916(11) -0.0611(7) 0.046(5) Uani 1 1 d . . .
H13 H 0.1069 0.6564 -0.0830 0.055 Uiso 1 1 calc R . .
C24 C -0.1028(10) 1.0431(11) 0.0687(8) 0.050(5) Uani 1 1 d . . .
H24A H -0.1072 1.0399 0.1020 0.060 Uiso 1 1 calc R . .
H24B H -0.1207 1.0876 0.0526 0.060 Uiso 1 1 calc R . .
C17 C 0.2719(9) 0.8222(10) 0.1676(7) 0.040(5) Uani 1 1 d . . .
H17 H 0.2779 0.8751 0.1597 0.048 Uiso 1 1 calc R . .
C1 C 0.0475(9) 0.4769(11) 0.0607(7) 0.037(5) Uani 1 1 d . . .
H1 H 0.0153 0.4607 0.0356 0.044 Uiso 1 1 calc R . .
C8 C -0.3043(10) 0.6609(11) 0.1867(8) 0.049(6) Uani 1 1 d . . .
H8A H -0.3052 0.6460 0.1545 0.059 Uiso 1 1 calc R . .
H8B H -0.3494 0.6571 0.2053 0.059 Uiso 1 1 calc R . .
C3 C 0.2039(12) 0.5319(11) 0.1875(6) 0.046(5) Uani 1 1 d . . .
H3 H 0.1809 0.4848 0.1971 0.056 Uiso 1 1 calc R . .
C6 C -0.0172(11) 0.6098(13) 0.3284(8) 0.058(6) Uani 1 1 d . . .
H6A H -0.0042 0.6620 0.3346 0.070 Uiso 1 1 calc R . .
H6B H -0.0270 0.5756 0.3539 0.070 Uiso 1 1 calc R . .
C21 C -0.1584(11) 0.9406(11) 0.1987(6) 0.044(5) Uani 1 1 d . . .
H21 H -0.1442 0.9922 0.2059 0.053 Uiso 1 1 calc R . .
C14 C 0.1910(12) 0.7276(12) -0.0726(7) 0.060(6) Uani 1 1 d . . .
H14A H 0.2135 0.7630 -0.0511 0.072 Uiso 1 1 calc R . .
H14B H 0.2140 0.7187 -0.1024 0.072 Uiso 1 1 calc R . .
C11 C -0.1564(16) 0.7979(17) -0.0359(7) 0.072(8) Uani 1 1 d D . .
H11 H -0.2090 0.8033 -0.0280 0.086 Uiso 1 1 calc R . .
C23 C -0.0721(9) 0.9863(12) 0.0449(7) 0.043(5) Uani 1 1 d . . .
H23 H -0.0684 0.9908 0.0116 0.052 Uiso 1 1 calc R . .
C18 C 0.3344(11) 0.7821(13) 0.1785(7) 0.057(6) Uani 1 1 d . . .
H18A H 0.3303 0.7292 0.1866 0.068 Uiso 1 1 calc R . .
H18B H 0.3831 0.8065 0.1783 0.068 Uiso 1 1 calc R . .
C16 C 0.2151(10) 0.9758(13) 0.0575(7) 0.050(6) Uani 1 1 d . . .
H16A H 0.1704 1.0011 0.0687 0.060 Uiso 1 1 calc R . .
H16B H 0.2596 1.0048 0.0501 0.060 Uiso 1 1 calc R . .
C22 C -0.2299(9) 0.9176(13) 0.2033(7) 0.053(6) Uani 1 1 d . . .
H22A H -0.2434 0.8659 0.1960 0.064 Uiso 1 1 calc R . .
H22B H -0.2680 0.9527 0.2138 0.064 Uiso 1 1 calc R . .
C20 C 0.0391(11) 0.9233(13) 0.3147(7) 0.057(6) Uani 1 1 d . . .
H20A H -0.0007 0.9478 0.2975 0.069 Uiso 1 1 calc R . .
H20B H 0.0545 0.9432 0.3445 0.069 Uiso 1 1 calc R . .
C15 C 0.2153(10) 0.8985(10) 0.0519(7) 0.040(5) Uani 1 1 d . . .
H15 H 0.2605 0.8743 0.0406 0.048 Uiso 1 1 calc R . .
C9 C -0.1624(10) 0.5304(12) 0.0615(7) 0.045(5) Uani 1 1 d . . .
H9 H -0.1504 0.5070 0.0321 0.054 Uiso 1 1 calc R . .
C12 C -0.1350(18) 0.8174(19) -0.0769(10) 0.166(19) Uani 1 1 d D . .
H12A H -0.0827 0.8126 -0.0857 0.200 Uiso 1 1 calc R . .
H12B H -0.1712 0.8369 -0.0989 0.200 Uiso 1 1 calc R . .
C19 C 0.0732(9) 0.8618(10) 0.2973(6) 0.031(4) Uani 1 1 d . . .
H19 H 0.1128 0.8387 0.3154 0.037 Uiso 1 1 calc R . .
C10 C -0.2085(11) 0.4968(12) 0.0899(11) 0.077(8) Uani 1 1 d . . .
H10A H -0.2207 0.5200 0.1194 0.092 Uiso 1 1 calc R . .
H10B H -0.2304 0.4486 0.0816 0.092 Uiso 1 1 calc R . .
C4 C 0.2751(11) 0.5337(12) 0.1895(8) 0.062(7) Uani 1 1 d . . .
H4A H 0.3019 0.5790 0.1805 0.075 Uiso 1 1 calc R . .
H4B H 0.3026 0.4897 0.2000 0.075 Uiso 1 1 calc R . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Si1 O7 1.599(12) . ?
Si1 O1 1.602(11) . ?
Si1 O5 1.623(11) . ?
Si1 C1 1.835(18) . ?
Si4 O10 1.586(12) . ?
Si4 O4 1.607(12) . ?
Si4 O3 1.613(12) . ?
Si4 C7 1.831(17) . ?
Si2 O2 1.569(12) . ?
Si2 O8 1.591(12) . ?
Si2 O1 1.612(11) . ?
Si2 C3 1.852(19) . ?
Si6 O11 1.602(12) . ?
Si6 O6 1.610(12) . ?
Si6 O18 1.624(13) . ?
Si6 C11 1.90(3) . ?
Si3 O3 1.610(12) . ?
Si3 O9 1.623(12) . ?
Si3 O2 1.654(12) . ?
Si3 C5 1.83(2) . ?
Si10 O15 1.596(12) . ?
Si10 O9 1.629(12) . ?
Si10 O14 1.640(12) . ?
Si10 C19 1.793(17) . ?
Si9 O14 1.582(13) . ?
Si9 O13 1.602(12) . ?
Si9 O8 1.614(12) . ?
Si9 C17 1.823(16) . ?
Si7 O7 1.609(12) . ?
Si7 O12 1.614(12) . ?
Si7 O11 1.626(12) . ?
Si7 C13 1.857(19) . ?
Si11 O16 1.614(12) . ?
Si11 O15 1.610(12) . ?
Si11 O10 1.637(12) . ?
Si11 C21 1.852(18) . ?
Si8 O13 1.612(11) . ?
Si8 O12 1.622(12) . ?
Si8 O17 1.671(12) . ?
Si8 C15 1.834(17) . ?
Si12 O18 1.591(13) . ?
Si12 O16 1.599(12) . ?
Si12 O17 1.607(11) . ?
Si12 C23 1.854(19) . ?
Si5 O6 1.608(13) . ?
Si5 O4 1.620(12) . ?
Si5 O5 1.626(11) . ?
Si5 C9 1.85(2) . ?
C7 C8 1.30(2) . ?
C7 H7 0.9500 . ?
C2 C1 1.28(2) . ?
C2 H2A 0.9500 . ?
C2 H2B 0.9500 . ?
C5 C6 1.28(3) . ?
C5 H5 0.9500 . ?
C13 C14 1.30(2) . ?
C13 H13 0.9500 . ?
C24 C23 1.31(3) . ?
C24 H24A 0.9500 . ?
C24 H24B 0.9500 . ?
C17 C18 1.33(3) . ?
C17 H17 0.9500 . ?
C1 H1 0.9500 . ?
C8 H8A 0.9500 . ?
C8 H8B 0.9500 . ?
C3 C4 1.24(2) . ?
C3 H3 0.9500 . ?
C6 H6A 0.9500 . ?
C6 H6B 0.9500 . ?
C21 C22 1.32(2) . ?
C21 H21 0.9500 . ?
C14 H14A 0.9500 . ?
C14 H14B 0.9500 . ?
C11 C12 1.266(19) . ?
C11 H11 0.9500 . ?
C23 H23 0.9500 . ?
C18 H18A 0.9500 . ?
C18 H18B 0.9500 . ?
C16 C15 1.35(3) . ?
C16 H16A 0.9500 . ?
C16 H16B 0.9500 . ?
C22 H22A 0.9500 . ?
C22 H22B 0.9500 . ?
C20 C19 1.32(3) . ?
C20 H20A 0.9500 . ?
C20 H20B 0.9500 . ?
C15 H15 0.9500 . ?
C9 C10 1.28(3) . ?
C9 H9 0.9500 . ?
C12 H12A 0.9500 . ?
C12 H12B 0.9500 . ?
C19 H19 0.9500 . ?
C10 H10A 0.9500 . ?
C10 H10B 0.9500 . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
O7 Si1 O1 108.8(6) . . ?
O7 Si1 O5 106.9(6) . . ?
O1 Si1 O5 107.2(6) . . ?
O7 Si1 C1 111.7(8) . . ?
O1 Si1 C1 109.4(8) . . ?
O5 Si1 C1 112.8(7) . . ?
O10 Si4 O4 108.4(6) . . ?
O10 Si4 O3 109.8(6) . . ?
O4 Si4 O3 108.6(6) . . ?
O10 Si4 C7 113.0(7) . . ?
O4 Si4 C7 106.9(7) . . ?
O3 Si4 C7 110.1(7) . . ?
O2 Si2 O8 111.0(7) . . ?
O2 Si2 O1 108.5(6) . . ?
O8 Si2 O1 108.4(6) . . ?
O2 Si2 C3 110.2(8) . . ?
O8 Si2 C3 108.7(8) . . ?
O1 Si2 C3 110.2(7) . . ?
O11 Si6 O6 109.6(7) . . ?
O11 Si6 O18 109.0(6) . . ?
O6 Si6 O18 108.7(7) . . ?
O11 Si6 C11 112.6(9) . . ?
O6 Si6 C11 107.9(9) . . ?
O18 Si6 C11 109.0(10) . . ?
O3 Si3 O9 110.1(6) . . ?
O3 Si3 O2 108.8(6) . . ?
O9 Si3 O2 109.8(6) . . ?
O3 Si3 C5 108.5(7) . . ?
O9 Si3 C5 108.9(8) . . ?
O2 Si3 C5 110.8(8) . . ?
O15 Si10 O9 108.7(6) . . ?
O15 Si10 O14 110.0(6) . . ?
O9 Si10 O14 108.7(6) . . ?
O15 Si10 C19 110.6(7) . . ?
O9 Si10 C19 109.1(7) . . ?
O14 Si10 C19 109.6(7) . . ?
O14 Si9 O13 109.4(6) . . ?
O14 Si9 O8 109.6(6) . . ?
O13 Si9 O8 107.3(6) . . ?
O14 Si9 C17 110.3(8) . . ?
O13 Si9 C17 109.7(8) . . ?
O8 Si9 C17 110.6(7) . . ?
O7 Si7 O12 108.1(7) . . ?
O7 Si7 O11 109.3(7) . . ?
O12 Si7 O11 109.9(6) . . ?
O7 Si7 C13 110.1(8) . . ?
O12 Si7 C13 108.9(7) . . ?
O11 Si7 C13 110.5(8) . . ?
O16 Si11 O15 108.5(6) . . ?
O16 Si11 O10 109.4(6) . . ?
O15 Si11 O10 109.4(6) . . ?
O16 Si11 C21 109.5(7) . . ?
O15 Si11 C21 108.8(7) . . ?
O10 Si11 C21 111.2(8) . . ?
O13 Si8 O12 107.9(6) . . ?
O13 Si8 O17 109.3(6) . . ?
O12 Si8 O17 111.3(6) . . ?
O13 Si8 C15 113.0(7) . . ?
O12 Si8 C15 108.2(8) . . ?
O17 Si8 C15 107.0(7) . . ?
O18 Si12 O16 111.0(7) . . ?
O18 Si12 O17 109.8(7) . . ?
O16 Si12 O17 109.0(6) . . ?
O18 Si12 C23 110.3(8) . . ?
O16 Si12 C23 110.7(8) . . ?
O17 Si12 C23 105.8(7) . . ?
O6 Si5 O4 108.8(6) . . ?
O6 Si5 O5 107.2(6) . . ?
O4 Si5 O5 106.1(6) . . ?
O6 Si5 C9 110.4(8) . . ?
O4 Si5 C9 111.6(8) . . ?
O5 Si5 C9 112.6(8) . . ?
Si1 O1 Si2 154.0(8) . . ?
Si7 O12 Si8 151.9(7) . . ?
Si5 O6 Si6 141.8(8) . . ?
Si4 O4 Si5 149.8(7) . . ?
Si9 O14 Si10 151.2(8) . . ?
Si6 O11 Si7 149.9(8) . . ?
Si4 O10 Si11 163.7(8) . . ?
Si9 O13 Si8 153.9(8) . . ?
Si3 O3 Si4 153.6(8) . . ?
Si2 O8 Si9 148.8(8) . . ?
Si1 O5 Si5 146.3(8) . . ?
Si1 O7 Si7 148.4(9) . . ?
Si3 O9 Si10 154.3(9) . . ?
Si10 O15 Si11 151.3(8) . . ?
Si2 O2 Si3 153.4(8) . . ?
Si12 O16 Si11 153.7(8) . . ?
Si12 O17 Si8 142.5(8) . . ?
C8 C7 Si4 126.6(15) . . ?
C8 C7 H7 116.7 . . ?
Si4 C7 H7 116.7 . . ?
Si12 O18 Si6 154.7(9) . . ?
C1 C2 H2A 120.0 . . ?
C1 C2 H2B 120.0 . . ?
H2A C2 H2B 120.0 . . ?
C6 C5 Si3 124.6(17) . . ?
C6 C5 H5 117.7 . . ?
Si3 C5 H5 117.7 . . ?
C14 C13 Si7 122.3(16) . . ?
C14 C13 H13 118.8 . . ?
Si7 C13 H13 118.8 . . ?
C23 C24 H24A 120.0 . . ?
C23 C24 H24B 120.0 . . ?
H24A C24 H24B 120.0 . . ?
C18 C17 Si9 124.0(14) . . ?
C18 C17 H17 118.0 . . ?
Si9 C17 H17 118.0 . . ?
C2 C1 Si1 125.7(16) . . ?
C2 C1 H1 117.2 . . ?
Si1 C1 H1 117.2 . . ?
C7 C8 H8A 120.0 . . ?
C7 C8 H8B 120.0 . . ?
H8A C8 H8B 120.0 . . ?
C4 C3 Si2 129.0(18) . . ?
C4 C3 H3 115.5 . . ?
Si2 C3 H3 115.5 . . ?
C5 C6 H6A 120.0 . . ?
C5 C6 H6B 120.0 . . ?
H6A C6 H6B 120.0 . . ?
C22 C21 Si11 118.6(15) . . ?
C22 C21 H21 120.7 . . ?
Si11 C21 H21 120.7 . . ?
C13 C14 H14A 120.0 . . ?
C13 C14 H14B 120.0 . . ?
H14A C14 H14B 120.0 . . ?
C12 C11 Si6 123(3) . . ?
C12 C11 H11 118.4 . . ?
Si6 C11 H11 118.3 . . ?
C24 C23 Si12 123.0(16) . . ?
C24 C23 H23 118.5 . . ?
Si12 C23 H23 118.5 . . ?
C17 C18 H18A 120.0 . . ?
C17 C18 H18B 120.0 . . ?
H18A C18 H18B 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C15 C16 H16B 120.0 . . ?
H16A C16 H16B 120.0 . . ?
C21 C22 H22A 120.0 . . ?
C21 C22 H22B 120.0 . . ?
H22A C22 H22B 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C19 C20 H20B 120.0 . . ?
H20A C20 H20B 120.0 . . ?
C16 C15 Si8 122.7(15) . . ?
C16 C15 H15 118.7 . . ?
Si8 C15 H15 118.7 . . ?
C10 C9 Si5 120.6(18) . . ?
C10 C9 H9 119.7 . . ?
Si5 C9 H9 119.7 . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 H12B 120.0 . . ?
H12A C12 H12B 120.0 . . ?
C20 C19 Si10 124.3(15) . . ?
C20 C19 H19 117.9 . . ?
Si10 C19 H19 117.9 . . ?
C9 C10 H10A 120.0 . . ?
C9 C10 H10B 120.0 . . ?
H10A C10 H10B 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 H4B 120.0 . . ?
H4A C4 H4B 120.0 . . ?
 
_diffrn_measured_fraction_theta_max    0.994
_diffrn_reflns_theta_full              25.02
_diffrn_measured_fraction_theta_full   0.994
_refine_diff_density_max    0.976
_refine_diff_density_min   -0.726
_refine_diff_density_rms    0.158
