Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_G1-16vinyl  
_database_code_CSD                  177248

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Cole-Hamilton, David'
'Foster, Douglas F.'
'Morris, Russell E.'
'Ropartz, Loic'
'Slawin, A.'

_publ_contact_author_name     	'Prof David Cole-Hamilton'  
_publ_contact_author_address 
;
Chemistry
University of St. Andrews
School of Chemistry
University of St. Andrews
St. Andrews
KY16 9ST
United Kingdom
;

_publ_contact_author_email       'DJC@ST-AND.AC.UK'

_publ_section_title		
;
Hydrocarbonylation reactions using alkylphosphine-containing
dendrimers based  on a polyhedral oligosilsesquioxane core
;


_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C56 H104 O12 Si16'
_chemical_formula_sum
'C56 H104 O12 Si16'
_chemical_formula_weight          1418.83

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            Monoclinic
_symmetry_space_group_name_H-M    P21/c

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

_cell_length_a                    13.6425(7)
_cell_length_b                    13.8802(6)
_cell_length_c                    23.2237(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  96.445(3)
_cell_angle_gamma                 90.00
_cell_volume                      4369.9(3)
_cell_formula_units_Z             2
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     24
_cell_measurement_theta_min       12
_cell_measurement_theta_max       168

_exptl_crystal_description        prism
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           .12
_exptl_crystal_size_mid           .1
_exptl_crystal_size_min           .1
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.078
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1520
_exptl_absorpt_coefficient_mu     0.277
_exptl_absorpt_correction_type    SADABS
_exptl_absorpt_correction_T_min   0.448671
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_process_details    ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_detector_area_resol_mean  0.9
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             18397
_diffrn_reflns_av_R_equivalents   0.1106
_diffrn_reflns_av_sigmaI/netI     0.1270
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          1.71
_diffrn_reflns_theta_max          23.23
_reflns_number_total              6202
_reflns_number_gt                 1892
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        'Bruker SMART'
_computing_cell_refinement        'Bruker SMART'
_computing_data_reduction         'Bruker SHELXTL'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Bruker SHELXTL'
_computing_publication_material   'Bruker SHELXTL'

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          6202
_refine_ls_number_parameters      159
_refine_ls_number_restraints      28
_refine_ls_R_factor_all           0.3410
_refine_ls_R_factor_gt            0.1864
_refine_ls_wR_factor_ref          0.5181
_refine_ls_wR_factor_gt           0.4487
_refine_ls_goodness_of_fit_ref    1.377
_refine_ls_restrained_S_all       23.229
_refine_ls_shift/su_max           0.008
_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 -0.103(6) 0.888(6) 0.066(3) 0.09(2) Uani 1 1 d . . .
O1 O -0.155(12) 0.899(12) 0.001(8) 0.11(6) Uani 1 1 d . . .
Si2 Si -0.165(5) 0.939(6) -0.066(3) 0.09(2) Uani 1 1 d . . .
O2 O -0.068(12) 0.902(12) -0.095(6) 0.10(5) Uani 1 1 d . . .
Si3 Si 0.049(6) 0.898(6) -0.091(3) 0.09(2) Uani 1 1 d . . .
O3 O 0.088(11) 0.854(11) -0.030(7) 0.10(5) Uani 1 1 d . . .
Si4 Si 0.110(5) 0.849(5) 0.040(3) 0.09(2) Uani 1 1 d . . .
O4 O 0.004(11) 0.844(10) 0.065(6) 0.09(5) Uani 1 1 d . . .
O5 O -0.092(12) 0.989(16) 0.094(7) 0.12(7) Uani 1 1 d . . .
Si5 Si -0.3487(10) 0.7614(12) 0.1565(6) 0.17(5) Uani 1 1 d D . .
O6 O 0.167(12) 0.945(13) 0.063(6) 0.10(5) Uani 1 1 d . . .
Si6 Si -0.4850(13) 0.8458(9) -0.1114(6) 0.15(4) Uani 1 1 d D . .
Si7 Si 0.1125(9) 0.6407(12) -0.2023(7) 0.18(5) Uani 1 1 d D . .
Si8 Si 0.2200(9) 0.5412(11) 0.0654(6) 0.17(5) Uani 1 1 d D . .
C1 C -0.18(2) 0.81(2) 0.107(12) 0.12(9) Uiso 1 1 d . . .
H1A H -0.1763 0.7434 0.0900 0.146 Uiso 1 1 calc R . .
H1B H -0.1444 0.8021 0.1465 0.146 Uiso 1 1 calc R . .
C2 C -0.28(3) 0.84(3) 0.110(16) 0.17(14) Uiso 1 1 d . . .
H2A H -0.3138 0.8347 0.0709 0.209 Uiso 1 1 calc R . .
H2B H -0.2805 0.9020 0.1235 0.209 Uiso 1 1 calc R . .
C3 C -0.275(18) 0.90(2) -0.108(12) 0.11(9) Uiso 1 1 d . . .
H3A H -0.2849 0.9343 -0.1435 0.138 Uiso 1 1 calc R . .
H3B H -0.2668 0.8305 -0.1179 0.138 Uiso 1 1 calc R . .
C4 C -0.37(2) 0.91(2) -0.075(14) 0.14(11) Uiso 1 1 d . . .
H4A H -0.3805 0.9761 -0.0707 0.172 Uiso 1 1 calc R . .
H4B H -0.3514 0.8815 -0.0363 0.172 Uiso 1 1 calc R . .
C5 C 0.09(2) 0.83(2) -0.154(12) 0.12(9) Uiso 1 1 d . . .
H5A H 0.0579 0.8559 -0.1904 0.143 Uiso 1 1 calc R . .
H5B H 0.1604 0.8350 -0.1543 0.143 Uiso 1 1 calc R . .
C6 C 0.06(4) 0.73(3) -0.15(2) 0.2(2) Uiso 1 1 d . . .
H6A H -0.0099 0.7271 -0.1528 0.289 Uiso 1 1 calc R . .
H6B H 0.0842 0.7103 -0.1089 0.289 Uiso 1 1 calc R . .
C7 C 0.19(2) 0.746(19) 0.066(12) 0.12(9) Uiso 1 1 d . . .
H7A H 0.2504 0.7506 0.0499 0.143 Uiso 1 1 calc R . .
H7B H 0.2005 0.7485 0.1076 0.143 Uiso 1 1 calc R . .
C8 C 0.14(2) 0.65(2) 0.047(14) 0.14(11) Uiso 1 1 d . . .
H8A H 0.1177 0.6529 0.0055 0.172 Uiso 1 1 calc R . .
H8B H 0.0776 0.6448 0.0660 0.172 Uiso 1 1 calc R . .
C9 C -0.2952 0.7681 0.2308 0.200 Uiso 1 1 d D . .
H9A H -0.3167 0.8158 0.2546 0.240 Uiso 1 1 calc R . .
C10 C -0.2257 0.7069 0.2527 0.250 Uiso 1 1 d D . .
H10A H -0.2035 0.6589 0.2294 0.300 Uiso 1 1 calc R . .
H10B H -0.1994 0.7121 0.2913 0.300 Uiso 1 1 calc R . .
C11 C -0.4649 0.8180 0.1673 0.200 Uiso 1 1 d D . .
H11A H -0.4739 0.8450 0.2029 0.240 Uiso 1 1 calc R . .
C12 C -0.5378 0.8207 0.1234 0.250 Uiso 1 1 d D . .
H12A H -0.5284 0.7936 0.0878 0.300 Uiso 1 1 calc R . .
H12B H -0.5976 0.8496 0.1286 0.300 Uiso 1 1 calc R . .
C13 C -0.3567 0.6295 0.1343 0.250 Uiso 1 1 d D . .
H13A H -0.3918 0.5942 0.1610 0.375 Uiso 1 1 calc R . .
H13B H -0.2913 0.6036 0.1347 0.375 Uiso 1 1 calc R . .
H13C H -0.3909 0.6241 0.0960 0.375 Uiso 1 1 calc R . .
C14 C -0.5206 0.8604 -0.1896 0.200 Uiso 1 1 d D . .
H14A H -0.4839 0.8997 -0.2115 0.240 Uiso 1 1 calc R . .
C15 C -0.5995 0.8140 -0.2144 0.250 Uiso 1 1 d D . .
H15A H -0.6358 0.7748 -0.1922 0.300 Uiso 1 1 calc R . .
H15B H -0.6183 0.8207 -0.2539 0.300 Uiso 1 1 calc R . .
C16 C -0.4695 0.7170 -0.1086 0.200 Uiso 1 1 d D . .
H16A H -0.4891 0.6809 -0.1416 0.240 Uiso 1 1 calc R . .
C17 C -0.4309 0.6718 -0.0608 0.250 Uiso 1 1 d D . .
H17A H -0.4109 0.7068 -0.0274 0.300 Uiso 1 1 calc R . .
H17B H -0.4239 0.6052 -0.0608 0.300 Uiso 1 1 calc R . .
C18 C -0.5866 0.8869 -0.0673 0.250 Uiso 1 1 d D . .
H18A H -0.6480 0.8583 -0.0827 0.375 Uiso 1 1 calc R . .
H18B H -0.5922 0.9558 -0.0692 0.375 Uiso 1 1 calc R . .
H18C H -0.5708 0.8674 -0.0277 0.375 Uiso 1 1 calc R . .
C19 C 0.0345 0.6138 -0.2681 0.200 Uiso 1 1 d D . .
H19A H 0.0628 0.6045 -0.3023 0.240 Uiso 1 1 calc R . .
C20 C -0.0629 0.6071 -0.2688 0.250 Uiso 1 1 d D . .
H20A H -0.0919 0.6163 -0.2348 0.300 Uiso 1 1 calc R . .
H20B H -0.1020 0.5931 -0.3032 0.300 Uiso 1 1 calc R . .
C21 C 0.1145 0.5369 -0.1638 0.200 Uiso 1 1 d D . .
H21A H 0.1155 0.5448 -0.1240 0.240 Uiso 1 1 calc R . .
C22 C 0.1148 0.4455 -0.1818 0.250 Uiso 1 1 d D . .
H22A H 0.1139 0.4319 -0.2211 0.300 Uiso 1 1 calc R . .
H22B H 0.1160 0.3955 -0.1551 0.300 Uiso 1 1 calc R . .
C23 C 0.2449 0.6433 -0.2205 0.250 Uiso 1 1 d D . .
H23A H 0.2538 0.5943 -0.2486 0.375 Uiso 1 1 calc R . .
H23B H 0.2890 0.6315 -0.1860 0.375 Uiso 1 1 calc R . .
H23C H 0.2589 0.7053 -0.2359 0.375 Uiso 1 1 calc R . .
C24 C 0.3301 0.5396 0.0288 0.200 Uiso 1 1 d D . .
H24A H 0.3259 0.5558 -0.0103 0.240 Uiso 1 1 calc R . .
C25 C 0.4173 0.5156 0.0569 0.250 Uiso 1 1 d D . .
H25A H 0.4221 0.4992 0.0959 0.300 Uiso 1 1 calc R . .
H25B H 0.4732 0.5151 0.0374 0.300 Uiso 1 1 calc R . .
C26 C 0.1568 0.4370 0.0343 0.200 Uiso 1 1 d D . .
H26A H 0.1537 0.4281 -0.0056 0.240 Uiso 1 1 calc R . .
C27 C 0.1143 0.3719 0.0651 0.250 Uiso 1 1 d D . .
H27A H 0.1163 0.3791 0.1051 0.300 Uiso 1 1 calc R . .
H27B H 0.0824 0.3191 0.0468 0.300 Uiso 1 1 calc R . .
C28 C 0.2631 0.5457 0.1461 0.250 Uiso 1 1 d D . .
H28A H 0.3046 0.4912 0.1566 0.375 Uiso 1 1 calc R . .
H28B H 0.2069 0.5442 0.1675 0.375 Uiso 1 1 calc R . .
H28C H 0.2996 0.6040 0.1549 0.375 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Si1 0.09(5) 0.09(6) 0.08(5) 0.00(4) 0.02(4) -0.01(4)
O1 0.10(12) 0.10(13) 0.12(15) 0.01(11) 0.01(10) -0.01(10)
Si2 0.09(5) 0.09(6) 0.09(6) 0.00(4) -0.01(4) -0.01(4)
O2 0.12(14) 0.11(13) 0.08(11) -0.02(10) 0.01(9) -0.02(11)
Si3 0.10(6) 0.09(6) 0.08(5) -0.01(4) 0.01(4) 0.01(5)
O3 0.10(12) 0.10(12) 0.10(14) -0.01(10) 0.00(10) 0.02(10)
Si4 0.09(5) 0.08(5) 0.08(5) 0.00(4) 0.01(4) 0.01(4)
O4 0.10(13) 0.08(11) 0.08(11) 0.01(9) 0.00(9) -0.01(9)
O5 0.10(12) 0.2(2) 0.08(12) 0.03(13) 0.03(9) 0.04(13)
Si5 0.15(8) 0.20(12) 0.18(11) 0.02(9) 0.07(7) -0.03(8)
O6 0.11(12) 0.12(15) 0.07(11) -0.01(10) 0.00(9) 0.01(11)
Si6 0.08(6) 0.19(10) 0.19(10) -0.03(8) 0.00(6) 0.00(6)
Si7 0.19(11) 0.16(10) 0.18(11) -0.08(8) 0.02(8) 0.03(8)
Si8 0.16(9) 0.08(6) 0.26(14) 0.01(7) 0.00(9) 0.02(6)

_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 O5 1.5(2) . ?
Si1 O4 1.59(17) . ?
Si1 O1 1.59(18) . ?
Si1 C1 1.8(3) . ?
O1 Si2 1.64(18) . ?
Si2 O6 1.61(19) 3_575 ?
Si2 O2 1.63(18) . ?
Si2 C3 1.8(3) . ?
O2 Si3 1.59(18) . ?
Si3 O3 1.59(18) . ?
Si3 O5 1.7(2) 3_575 ?
Si3 C5 1.9(3) . ?
O3 Si4 1.61(17) . ?
Si4 O4 1.61(17) . ?
Si4 O6 1.61(19) . ?
Si4 C7 1.8(3) . ?
O5 Si3 1.7(2) 3_575 ?
Si5 C9 1.798(12) . ?
Si5 C11 1.811(12) . ?
Si5 C2 1.8(4) . ?
Si5 C13 1.902(16) . ?
O6 Si2 1.61(19) 3_575 ?
Si6 C16 1.800(12) . ?
Si6 C14 1.837(14) . ?
Si6 C18 1.901(16) . ?
Si6 C4 1.9(3) . ?
Si7 C21 1.695(17) . ?
Si7 C19 1.800(13) . ?
Si7 C23 1.900(15) . ?
Si7 C6 2.0(5) . ?
Si8 C26 1.794(12) . ?
Si8 C24 1.808(12) . ?
Si8 C28 1.901(15) . ?
Si8 C8 1.9(3) . ?
C1 C2 1.5(4) . ?
C3 C4 1.5(4) . ?
C5 C6 1.4(5) . ?
C7 C8 1.5(4) . ?
C9 C10 1.3315 . ?
C11 C12 1.3425 . ?
C14 C15 1.3290 . ?
C16 C17 1.3303 . ?
C19 C20 1.3307 . ?
C21 C22 1.3354 . ?
C24 C25 1.3323 . ?
C26 C27 1.3261 . ?

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
O5 Si1 O4 108(9) . . ?
O5 Si1 O1 109(10) . . ?
O4 Si1 O1 109(9) . . ?
O5 Si1 C1 112(10) . . ?
O4 Si1 C1 109(10) . . ?
O1 Si1 C1 110(10) . . ?
Si1 O1 Si2 155(10) . . ?
O6 Si2 O2 110(9) 3_575 . ?
O6 Si2 O1 107(9) 3_575 . ?
O2 Si2 O1 108(9) . . ?
O6 Si2 C3 109(10) 3_575 . ?
O2 Si2 C3 110(10) . . ?
O1 Si2 C3 113(10) . . ?
Si3 O2 Si2 148(10) . . ?
O2 Si3 O3 107(9) . . ?
O2 Si3 O5 109(9) . 3_575 ?
O3 Si3 O5 108(9) . 3_575 ?
O2 Si3 C5 111(10) . . ?
O3 Si3 C5 114(10) . . ?
O5 Si3 C5 108(10) 3_575 . ?
Si4 O3 Si3 158(10) . . ?
O3 Si4 O4 107(8) . . ?
O3 Si4 O6 109(9) . . ?
O4 Si4 O6 110(9) . . ?
O3 Si4 C7 113(10) . . ?
O4 Si4 C7 111(10) . . ?
O6 Si4 C7 107(10) . . ?
Si1 O4 Si4 149(10) . . ?
Si1 O5 Si3 148(10) . 3_575 ?
C9 Si5 C11 96.5(7) . . ?
C9 Si5 C2 111(10) . . ?
C11 Si5 C2 111(10) . . ?
C9 Si5 C13 108.3(8) . . ?
C11 Si5 C13 115.5(9) . . ?
C2 Si5 C13 114(10) . . ?
Si2 O6 Si4 146(10) 3_575 . ?
C16 Si6 C14 99.4(7) . . ?
C16 Si6 C18 111.6(9) . . ?
C14 Si6 C18 111.8(8) . . ?
C16 Si6 C4 110(10) . . ?
C14 Si6 C4 120(10) . . ?
C18 Si6 C4 105(9) . . ?
C21 Si7 C19 104.1(7) . . ?
C21 Si7 C23 100.0(7) . . ?
C19 Si7 C23 107.6(9) . . ?
C21 Si7 C6 101(10) . . ?
C19 Si7 C6 117(10) . . ?
C23 Si7 C6 123(10) . . ?
C26 Si8 C24 100.8(6) . . ?
C26 Si8 C28 120.3(8) . . ?
C24 Si8 C28 106.4(6) . . ?
C26 Si8 C8 108(10) . . ?
C24 Si8 C8 114(10) . . ?
C28 Si8 C8 108(10) . . ?
C2 C1 Si1 116(10) . . ?
C1 C2 Si5 115(10) . . ?
C4 C3 Si2 112(10) . . ?
C3 C4 Si6 115(10) . . ?
C6 C5 Si3 107(10) . . ?
C5 C6 Si7 115(10) . . ?
C8 C7 Si4 110(10) . . ?
C7 C8 Si8 113(10) . . ?
C10 C9 Si5 121.9(4) . . ?
C12 C11 Si5 119.5(4) . . ?
C15 C14 Si6 119.0(6) . . ?
C17 C16 Si6 122.2(5) . . ?
C20 C19 Si7 121.3(5) . . ?
C22 C21 Si7 130.0(6) . . ?
C25 C24 Si8 121.0(5) . . ?
C27 C26 Si8 123.4(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
O5 Si1 O1 Si2 59(31) . . . . ?
O4 Si1 O1 Si2 -59(31) . . . . ?
C1 Si1 O1 Si2 -179(27) . . . . ?
Si1 O1 Si2 O6 -59(31) . . . 3_575 ?
Si1 O1 Si2 O2 60(31) . . . . ?
Si1 O1 Si2 C3 -179(27) . . . . ?
O6 Si2 O2 Si3 62(24) 3_575 . . . ?
O1 Si2 O2 Si3 -55(24) . . . . ?
C3 Si2 O2 Si3 -178(22) . . . . ?
Si2 O2 Si3 O3 55(24) . . . . ?
Si2 O2 Si3 O5 -62(24) . . . 3_575 ?
Si2 O2 Si3 C5 180(21) . . . . ?
O2 Si3 O3 Si4 -67(32) . . . . ?
O5 Si3 O3 Si4 50(33) 3_575 . . . ?
C5 Si3 O3 Si4 170(29) . . . . ?
Si3 O3 Si4 O4 65(32) . . . . ?
Si3 O3 Si4 O6 -53(32) . . . . ?
Si3 O3 Si4 C7 -171(29) . . . . ?
O5 Si1 O4 Si4 -67(22) . . . . ?
O1 Si1 O4 Si4 51(22) . . . . ?
C1 Si1 O4 Si4 171(19) . . . . ?
O3 Si4 O4 Si1 -51(22) . . . . ?
O6 Si4 O4 Si1 67(22) . . . . ?
C7 Si4 O4 Si1 -175(19) . . . . ?
O4 Si1 O5 Si3 63(23) . . . 3_575 ?
O1 Si1 O5 Si3 -56(23) . . . 3_575 ?
C1 Si1 O5 Si3 -177(20) . . . 3_575 ?
O3 Si4 O6 Si2 58(21) . . . 3_575 ?
O4 Si4 O6 Si2 -58(21) . . . 3_575 ?
C7 Si4 O6 Si2 -179(20) . . . 3_575 ?
O5 Si1 C1 C2 63(27) . . . . ?
O4 Si1 C1 C2 -177(23) . . . . ?
O1 Si1 C1 C2 -58(27) . . . . ?
Si1 C1 C2 Si5 -174(17) . . . . ?
C9 Si5 C2 C1 63(29) . . . . ?
C11 Si5 C2 C1 169(23) . . . . ?
C13 Si5 C2 C1 -60(29) . . . . ?
O6 Si2 C3 C4 -73(23) 3_575 . . . ?
O2 Si2 C3 C4 166(20) . . . . ?
O1 Si2 C3 C4 46(24) . . . . ?
Si2 C3 C4 Si6 -170(15) . . . . ?
C16 Si6 C4 C3 68(24) . . . . ?
C14 Si6 C4 C3 -46(26) . . . . ?
C18 Si6 C4 C3 -172(20) . . . . ?
O2 Si3 C5 C6 -67(30) . . . . ?
O3 Si3 C5 C6 54(30) . . . . ?
O5 Si3 C5 C6 174(27) 3_575 . . . ?
Si3 C5 C6 Si7 -172(21) . . . . ?
C21 Si7 C6 C5 154(32) . . . . ?
C19 Si7 C6 C5 -94(34) . . . . ?
C23 Si7 C6 C5 44(42) . . . . ?
O3 Si4 C7 C8 -62(24) . . . . ?
O4 Si4 C7 C8 59(24) . . . . ?
O6 Si4 C7 C8 179(20) . . . . ?
Si4 C7 C8 Si8 174(14) . . . . ?
C26 Si8 C8 C7 -174(19) . . . . ?
C24 Si8 C8 C7 -63(24) . . . . ?
C28 Si8 C8 C7 55(24) . . . . ?
C11 Si5 C9 C10 154.5(3) . . . . ?
C2 Si5 C9 C10 -91(13) . . . . ?
C13 Si5 C9 C10 34.9(11) . . . . ?
C9 Si5 C11 C12 -172.7(3) . . . . ?
C2 Si5 C11 C12 72(13) . . . . ?
C13 Si5 C11 C12 -58.9(10) . . . . ?
C16 Si6 C14 C15 57.9(8) . . . . ?
C18 Si6 C14 C15 -60.0(7) . . . . ?
C4 Si6 C14 C15 177(11) . . . . ?
C14 Si6 C16 C17 171.2(3) . . . . ?
C18 Si6 C16 C17 -70.7(9) . . . . ?
C4 Si6 C16 C17 45(10) . . . . ?
C21 Si7 C19 C20 74.3(9) . . . . ?
C23 Si7 C19 C20 179.8(4) . . . . ?
C6 Si7 C19 C20 -36(16) . . . . ?
C19 Si7 C21 C22 36.5(10) . . . . ?
C23 Si7 C21 C22 -74.6(6) . . . . ?
C6 Si7 C21 C22 159(15) . . . . ?
C26 Si8 C24 C25 -108.0(6) . . . . ?
C28 Si8 C24 C25 18.3(9) . . . . ?
C8 Si8 C24 C25 137(11) . . . . ?
C24 Si8 C26 C27 135.0(4) . . . . ?
C28 Si8 C26 C27 18.5(10) . . . . ?
C8 Si8 C26 C27 -105(10) . . . . ?

_diffrn_measured_fraction_theta_max    0.991
_diffrn_reflns_theta_full              23.23
_diffrn_measured_fraction_theta_full   0.991
_refine_diff_density_max    1.031
_refine_diff_density_min   -1.052
_refine_diff_density_rms    0.191