# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Lee, Myong Euy'
_publ_contact_author_email       melgg@yonsei.ac.kr

_publ_section_title              
;
Reactivities of chlorotrisylsilylenoid with ketones
;
loop_
_publ_author_name
H.M.Cho
Y.M.Lim
M.E.Lee

#===END

data_compound_2
_database_code_depnum_ccdc_archive 'CCDC 770202'
#TrackingRef 'compound-2-6.cif.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H43 Cl O2 Si4'
_chemical_formula_weight         535.41

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   11.5132(4)
_cell_length_b                   9.1353(3)
_cell_length_c                   28.9123(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.532(2)
_cell_angle_gamma                90.00
_cell_volume                     3040.76(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6436
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.18

_exptl_crystal_description       rectangle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    0.304
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.930
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(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 ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30195
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         27.18
_reflns_number_total             6436
_reflns_number_gt                4972
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX II'
_computing_cell_refinement       'Bruker APEX II'
_computing_data_reduction        'Bruker APEX II'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ORTEP3
_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.
Twin check had been carried out. Although highly disordered solvent molecule
with constrained geometry, the results of X-ray analysis are reasonable from
chemical/crystallographical point of view.
;

_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^)+(0.1051P)^2^+1.9287P] 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         6436
_refine_ls_number_parameters     427
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0588
_refine_ls_wR_factor_ref         0.1806
_refine_ls_wR_factor_gt          0.1647
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.011
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.13154(6) 0.83971(8) 0.12003(2) 0.0392(2) Uani 1 1 d . A .
Si2 Si 0.20480(9) 1.09806(11) 0.05913(3) 0.0459(3) Uani 0.7735(17) 1 d PD A 1
Si3 Si 0.39328(9) 0.92101(12) 0.11816(4) 0.0521(3) Uani 0.7735(17) 1 d PD A 1
Si4 Si 0.21784(9) 1.12840(10) 0.16840(3) 0.0428(3) Uani 0.7735(17) 1 d PD A 1
C2 C 0.1733(10) 0.9694(13) 0.0104(3) 0.068(2) Uani 0.7735(17) 1 d PD A 1
H2A H 0.1103 0.9061 0.0187 0.103 Uiso 0.7735(17) 1 calc PR A 1
H2B H 0.2411 0.9118 0.0042 0.103 Uiso 0.7735(17) 1 calc PR A 1
H2C H 0.1522 1.0243 -0.0167 0.103 Uiso 0.7735(17) 1 calc PR A 1
C4 C 0.0742(6) 1.2174(8) 0.0631(2) 0.0625(14) Uani 0.7735(17) 1 d PD A 1
H4A H 0.0531 1.2519 0.0328 0.094 Uiso 0.7735(17) 1 calc PR A 1
H4B H 0.0912 1.2995 0.0828 0.094 Uiso 0.7735(17) 1 calc PR A 1
H4C H 0.0109 1.1625 0.0758 0.094 Uiso 0.7735(17) 1 calc PR A 1
C3 C 0.3286(5) 1.2201(8) 0.0410(3) 0.0744(18) Uani 0.7735(17) 1 d PD A 1
H3A H 0.3267 1.2324 0.0080 0.112 Uiso 0.7735(17) 1 calc PR A 1
H3B H 0.4011 1.1762 0.0501 0.112 Uiso 0.7735(17) 1 calc PR A 1
H3C H 0.3211 1.3139 0.0557 0.112 Uiso 0.7735(17) 1 calc PR A 1
C5 C 0.4469(6) 0.8509(8) 0.0616(2) 0.0703(19) Uani 0.7735(17) 1 d PD A 1
H5A H 0.5262 0.8198 0.0650 0.105 Uiso 0.7735(17) 1 calc PR A 1
H5B H 0.4422 0.9273 0.0388 0.105 Uiso 0.7735(17) 1 calc PR A 1
H5C H 0.4000 0.7695 0.0518 0.105 Uiso 0.7735(17) 1 calc PR A 1
C6 C 0.5029(5) 1.0644(8) 0.1340(3) 0.075(2) Uani 0.7735(17) 1 d PD A 1
H6A H 0.5794 1.0226 0.1333 0.112 Uiso 0.7735(17) 1 calc PR A 1
H6B H 0.4874 1.1002 0.1645 0.112 Uiso 0.7735(17) 1 calc PR A 1
H6C H 0.4980 1.1437 0.1123 0.112 Uiso 0.7735(17) 1 calc PR A 1
C7 C 0.4116(9) 0.7685(8) 0.1615(5) 0.070(2) Uani 0.7735(17) 1 d PD A 1
H7A H 0.4277 0.6787 0.1455 0.105 Uiso 0.7735(17) 1 calc PR A 1
H7B H 0.3415 0.7579 0.1789 0.105 Uiso 0.7735(17) 1 calc PR A 1
H7C H 0.4749 0.7911 0.1821 0.105 Uiso 0.7735(17) 1 calc PR A 1
C8 C 0.0671(6) 1.1657(12) 0.1835(3) 0.046(2) Uani 0.7735(17) 1 d PD A 1
H8A H 0.0310 1.0772 0.1940 0.069 Uiso 0.7735(17) 1 calc PR A 1
H8B H 0.0261 1.2017 0.1567 0.069 Uiso 0.7735(17) 1 calc PR A 1
H8C H 0.0648 1.2378 0.2076 0.069 Uiso 0.7735(17) 1 calc PR A 1
C9 C 0.2896(7) 1.3105(7) 0.1578(3) 0.0567(17) Uani 0.7735(17) 1 d PD A 1
H9A H 0.2617 1.3505 0.1290 0.085 Uiso 0.7735(17) 1 calc PR A 1
H9B H 0.3723 1.2974 0.1563 0.085 Uiso 0.7735(17) 1 calc PR A 1
H9C H 0.2715 1.3764 0.1825 0.085 Uiso 0.7735(17) 1 calc PR A 1
C10 C 0.2813(5) 1.0509(6) 0.22291(17) 0.0635(13) Uani 0.7735(17) 1 d PD A 1
H10A H 0.2650 1.1154 0.2483 0.095 Uiso 0.7735(17) 1 calc PR A 1
H10B H 0.3638 1.0409 0.2197 0.095 Uiso 0.7735(17) 1 calc PR A 1
H10C H 0.2476 0.9567 0.2288 0.095 Uiso 0.7735(17) 1 calc PR A 1
Si2A Si 0.2970(4) 0.9879(5) 0.05488(14) 0.0651(12) Uani 0.2265(17) 1 d PD A 2
Si3A Si 0.3588(3) 0.9390(4) 0.16176(14) 0.0521(10) Uani 0.2265(17) 1 d PD A 2
Si4A Si 0.1654(3) 1.1654(4) 0.13186(14) 0.0508(10) Uani 0.2265(17) 1 d PD A 2
C2A C 0.182(3) 0.942(5) 0.0116(14) 0.078(13) Uani 0.2265(17) 1 d PDU A 2
H2A1 H 0.2164 0.9303 -0.0183 0.117 Uiso 0.2265(17) 1 calc PR A 2
H2A2 H 0.1256 1.0191 0.0105 0.117 Uiso 0.2265(17) 1 calc PR A 2
H2A3 H 0.1447 0.8521 0.0204 0.117 Uiso 0.2265(17) 1 calc PR A 2
C3A C 0.359(2) 1.1747(18) 0.0400(11) 0.073(7) Uani 0.2265(17) 1 d PDU A 2
H3A1 H 0.4027 1.1679 0.0118 0.110 Uiso 0.2265(17) 1 calc PR A 2
H3A2 H 0.4099 1.2068 0.0646 0.110 Uiso 0.2265(17) 1 calc PR A 2
H3A3 H 0.2973 1.2438 0.0360 0.110 Uiso 0.2265(17) 1 calc PR A 2
C4A C 0.4186(16) 0.857(2) 0.0442(8) 0.059(6) Uani 0.2265(17) 1 d PDU A 2
H4A1 H 0.4168 0.7801 0.0669 0.089 Uiso 0.2265(17) 1 calc PR A 2
H4A2 H 0.4914 0.9076 0.0464 0.089 Uiso 0.2265(17) 1 calc PR A 2
H4A3 H 0.4102 0.8152 0.0139 0.089 Uiso 0.2265(17) 1 calc PR A 2
C5A C 0.3154(19) 0.992(2) 0.2218(6) 0.074(6) Uani 0.2265(17) 1 d PDU A 2
H5A1 H 0.2427 0.9463 0.2291 0.112 Uiso 0.2265(17) 1 calc PR A 2
H5A2 H 0.3073 1.0963 0.2236 0.112 Uiso 0.2265(17) 1 calc PR A 2
H5A3 H 0.3740 0.9601 0.2434 0.112 Uiso 0.2265(17) 1 calc PR A 2
C6A C 0.4988(18) 1.039(3) 0.1512(9) 0.068(7) Uani 0.2265(17) 1 d PDU A 2
H6A1 H 0.5482 1.0301 0.1780 0.103 Uiso 0.2265(17) 1 calc PR A 2
H6A2 H 0.4828 1.1400 0.1453 0.103 Uiso 0.2265(17) 1 calc PR A 2
H6A3 H 0.5369 0.9965 0.1250 0.103 Uiso 0.2265(17) 1 calc PR A 2
C7A C 0.393(4) 0.738(2) 0.1656(17) 0.068(8) Uani 0.2265(17) 1 d PDU A 2
H7A1 H 0.4173 0.7146 0.1965 0.102 Uiso 0.2265(17) 1 calc PR A 2
H7A2 H 0.4533 0.7145 0.1443 0.102 Uiso 0.2265(17) 1 calc PR A 2
H7A3 H 0.3242 0.6827 0.1579 0.102 Uiso 0.2265(17) 1 calc PR A 2
C8A C 0.0462(18) 1.164(4) 0.1738(8) 0.034(5) Uani 0.2265(17) 1 d PDU A 2
H8A1 H 0.0078 1.2577 0.1734 0.052 Uiso 0.2265(17) 1 calc PR A 2
H8A2 H 0.0770 1.1459 0.2043 0.052 Uiso 0.2265(17) 1 calc PR A 2
H8A3 H -0.0084 1.0891 0.1657 0.052 Uiso 0.2265(17) 1 calc PR A 2
C9A C 0.271(2) 1.317(3) 0.1446(9) 0.052(6) Uani 0.2265(17) 1 d PDU A 2
H9A1 H 0.3095 1.2976 0.1735 0.078 Uiso 0.2265(17) 1 calc PR A 2
H9A2 H 0.2297 1.4078 0.1465 0.078 Uiso 0.2265(17) 1 calc PR A 2
H9A3 H 0.3270 1.3218 0.1204 0.078 Uiso 0.2265(17) 1 calc PR A 2
C10A C 0.0679(19) 1.226(3) 0.0826(6) 0.068(6) Uani 0.2265(17) 1 d PDU A 2
H10D H 0.1096 1.2200 0.0541 0.102 Uiso 0.2265(17) 1 calc PR A 2
H10E H 0.0436 1.3251 0.0877 0.102 Uiso 0.2265(17) 1 calc PR A 2
H10F H 0.0010 1.1634 0.0810 0.102 Uiso 0.2265(17) 1 calc PR A 2
O1 O 0.00123(15) 0.8581(2) 0.09736(6) 0.0442(4) Uani 1 1 d . . .
O2 O 0.08930(14) 0.79244(19) 0.17216(6) 0.0389(4) Uani 1 1 d . . .
Cl1 Cl 0.20239(7) 0.65782(8) 0.08663(3) 0.0603(2) Uani 1 1 d . . .
C1 C 0.2367(2) 0.9920(3) 0.11660(8) 0.0362(5) Uani 1 1 d . . .
C11 C -0.0912(2) 0.7988(3) 0.12599(9) 0.0390(5) Uani 1 1 d . . .
C12 C -0.0261(2) 0.7276(3) 0.17088(9) 0.0388(5) Uani 1 1 d . . .
C13 C -0.1682(3) 0.9289(3) 0.13793(11) 0.0518(7) Uani 1 1 d . . .
H13A H -0.1238 0.9994 0.1552 0.078 Uiso 1 1 calc R . .
H13B H -0.2324 0.8960 0.1561 0.078 Uiso 1 1 calc R . .
H13C H -0.1969 0.9731 0.1099 0.078 Uiso 1 1 calc R . .
C14 C -0.0096(3) 0.5612(3) 0.16725(10) 0.0498(7) Uani 1 1 d . . .
H14A H 0.0270 0.5380 0.1385 0.075 Uiso 1 1 calc R . .
H14B H -0.0840 0.5138 0.1686 0.075 Uiso 1 1 calc R . .
H14C H 0.0383 0.5278 0.1925 0.075 Uiso 1 1 calc R . .
C15 C -0.1574(2) 0.6852(3) 0.09766(10) 0.0445(6) Uani 1 1 d . . .
C16 C -0.2715(3) 0.6475(4) 0.10799(12) 0.0629(8) Uani 1 1 d . . .
H16 H -0.3094 0.6967 0.1316 0.075 Uiso 1 1 calc R . .
C17 C -0.3299(4) 0.5391(5) 0.08409(14) 0.0784(11) Uani 1 1 d . . .
H17 H -0.4054 0.5147 0.0922 0.094 Uiso 1 1 calc R . .
C18 C -0.2764(4) 0.4663(4) 0.04805(15) 0.0822(12) Uani 1 1 d . . .
H18 H -0.3157 0.3937 0.0317 0.099 Uiso 1 1 calc R . .
C19 C -0.1660(4) 0.5027(5) 0.03709(14) 0.0807(12) Uani 1 1 d . . .
H19 H -0.1292 0.4532 0.0132 0.097 Uiso 1 1 calc R . .
C20 C -0.1064(3) 0.6127(4) 0.06079(11) 0.0631(8) Uani 1 1 d . . .
H20 H -0.0316 0.6378 0.0518 0.076 Uiso 1 1 calc R . .
C21 C -0.0861(2) 0.7623(3) 0.21643(9) 0.0418(6) Uani 1 1 d . . .
C22 C -0.0366(2) 0.8540(3) 0.24941(10) 0.0465(6) Uani 1 1 d . . .
H22 H 0.0348 0.8977 0.2437 0.056 Uiso 1 1 calc R . .
C23 C -0.0928(3) 0.8812(4) 0.29114(11) 0.0579(8) Uani 1 1 d . . .
H23 H -0.0588 0.9431 0.3129 0.069 Uiso 1 1 calc R . .
C24 C -0.1984(3) 0.8171(4) 0.30019(12) 0.0635(9) Uani 1 1 d . . .
H24 H -0.2363 0.8361 0.3278 0.076 Uiso 1 1 calc R . .
C25 C -0.2470(3) 0.7254(4) 0.26826(13) 0.0726(10) Uani 1 1 d . . .
H25 H -0.3180 0.6812 0.2744 0.087 Uiso 1 1 calc R . .
C26 C -0.1924(3) 0.6973(4) 0.22701(12) 0.0616(8) Uani 1 1 d . . .
H26 H -0.2270 0.6338 0.2058 0.074 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 0.0400(4) 0.0401(4) 0.0376(4) -0.0015(3) 0.0032(3) 0.0058(3)
Si2 0.0509(6) 0.0502(6) 0.0366(5) 0.0069(4) 0.0034(4) 0.0079(4)
Si3 0.0386(5) 0.0571(6) 0.0608(7) 0.0031(5) 0.0051(5) 0.0106(4)
Si4 0.0452(5) 0.0428(5) 0.0406(5) -0.0028(4) -0.0004(4) 0.0026(4)
C2 0.091(5) 0.080(5) 0.034(3) 0.000(3) -0.002(3) 0.019(4)
C4 0.069(3) 0.064(3) 0.054(3) 0.011(3) -0.008(3) 0.020(2)
C3 0.076(4) 0.075(4) 0.073(4) 0.029(3) 0.024(3) 0.005(3)
C5 0.054(3) 0.084(4) 0.073(4) 0.006(3) 0.024(3) 0.021(3)
C6 0.037(2) 0.082(4) 0.105(6) 0.008(4) -0.007(3) 0.001(2)
C7 0.060(4) 0.075(4) 0.075(5) 0.011(4) -0.006(3) 0.023(4)
C8 0.048(3) 0.045(3) 0.046(4) -0.001(2) 0.008(3) 0.010(3)
C9 0.060(3) 0.046(3) 0.063(4) -0.002(2) -0.010(3) -0.003(2)
C10 0.075(3) 0.073(3) 0.042(2) 0.000(2) -0.009(2) 0.006(3)
Si2A 0.074(3) 0.071(3) 0.051(2) 0.0036(18) 0.020(2) 0.002(2)
Si3A 0.0438(18) 0.055(2) 0.058(2) -0.0049(16) -0.0106(16) 0.0031(15)
Si4A 0.053(2) 0.0393(17) 0.060(2) -0.0014(15) 0.0064(17) 0.0052(14)
C2A 0.081(15) 0.082(15) 0.071(15) 0.004(8) -0.001(9) 0.007(9)
C3A 0.086(11) 0.066(10) 0.068(10) 0.020(8) 0.013(8) -0.002(8)
C4A 0.047(8) 0.067(8) 0.065(10) 0.000(7) 0.016(7) 0.009(6)
C5A 0.083(9) 0.085(10) 0.055(8) -0.003(7) -0.012(7) 0.004(8)
C6A 0.057(9) 0.072(10) 0.076(11) 0.004(8) -0.003(7) -0.005(7)
C7A 0.075(12) 0.061(10) 0.069(11) 0.013(8) -0.011(8) 0.014(7)
C8A 0.028(6) 0.038(7) 0.038(9) 0.005(6) 0.010(7) 0.015(5)
C9A 0.044(8) 0.043(8) 0.070(11) 0.008(7) -0.007(7) -0.012(6)
C10A 0.068(9) 0.063(8) 0.073(10) 0.008(8) -0.010(8) 0.006(6)
O1 0.0400(9) 0.0545(11) 0.0380(10) 0.0088(8) -0.0027(8) -0.0019(8)
O2 0.0348(8) 0.0461(9) 0.0358(9) 0.0024(7) 0.0007(7) 0.0023(7)
Cl1 0.0656(5) 0.0520(4) 0.0635(5) -0.0140(3) 0.0105(4) 0.0120(3)
C1 0.0325(11) 0.0430(13) 0.0332(12) 0.0007(9) 0.0018(10) 0.0053(9)
C11 0.0359(12) 0.0414(13) 0.0398(13) 0.0012(10) 0.0002(10) 0.0033(10)
C12 0.0386(12) 0.0399(13) 0.0379(13) 0.0008(10) 0.0026(10) 0.0010(10)
C13 0.0489(15) 0.0474(15) 0.0591(18) 0.0002(12) -0.0040(13) 0.0109(12)
C14 0.0592(17) 0.0411(14) 0.0490(16) 0.0016(11) -0.0032(13) 0.0063(12)
C15 0.0447(14) 0.0466(14) 0.0422(15) 0.0009(11) -0.0061(12) 0.0026(11)
C16 0.0532(17) 0.071(2) 0.064(2) -0.0074(16) -0.0003(15) -0.0089(15)
C17 0.074(2) 0.084(3) 0.077(3) -0.002(2) -0.014(2) -0.029(2)
C18 0.096(3) 0.062(2) 0.088(3) -0.0148(19) -0.030(2) -0.013(2)
C19 0.084(3) 0.088(3) 0.069(2) -0.036(2) -0.014(2) 0.010(2)
C20 0.0578(18) 0.078(2) 0.0532(19) -0.0182(16) -0.0043(15) 0.0035(16)
C21 0.0425(13) 0.0422(13) 0.0406(14) 0.0042(10) 0.0055(11) 0.0022(10)
C22 0.0475(14) 0.0491(15) 0.0429(15) 0.0031(11) 0.0052(12) 0.0026(12)
C23 0.071(2) 0.0598(18) 0.0434(16) -0.0032(13) 0.0044(15) 0.0114(15)
C24 0.068(2) 0.072(2) 0.0505(18) 0.0068(15) 0.0225(16) 0.0174(17)
C25 0.0590(19) 0.088(3) 0.071(2) 0.012(2) 0.0253(18) -0.0057(18)
C26 0.0600(18) 0.068(2) 0.0566(19) -0.0010(15) 0.0139(15) -0.0165(15)

_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 O1 1.640(2) . ?
Si1 O2 1.6456(18) . ?
Si1 C1 1.847(3) . ?
Si1 Cl1 2.0914(10) . ?
Si2 C4 1.862(6) . ?
Si2 C2 1.867(8) . ?
Si2 C3 1.888(5) . ?
Si2 C1 1.955(3) . ?
Si3 C5 1.868(6) . ?
Si3 C6 1.872(6) . ?
Si3 C7 1.884(9) . ?
Si3 C1 1.916(2) . ?
Si4 C8 1.826(6) . ?
Si4 C10 1.870(5) . ?
Si4 C9 1.884(6) . ?
Si4 C1 1.962(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
Si2A C2A 1.860(17) . ?
Si2A C4A 1.871(15) . ?
Si2A C3A 1.904(14) . ?
Si2A C1 1.921(4) . ?
Si3A C5A 1.874(15) . ?
Si3A C6A 1.878(15) . ?
Si3A C7A 1.878(16) . ?
Si3A C1 1.971(4) . ?
Si4A C1 1.840(4) . ?
Si4A C8A 1.841(14) . ?
Si4A C9A 1.872(14) . ?
Si4A C10A 1.888(15) . ?
C2A H2A1 0.9600 . ?
C2A H2A2 0.9600 . ?
C2A H2A3 0.9600 . ?
C3A H3A1 0.9600 . ?
C3A H3A2 0.9600 . ?
C3A H3A3 0.9600 . ?
C4A H4A1 0.9600 . ?
C4A H4A2 0.9600 . ?
C4A H4A3 0.9600 . ?
C5A H5A1 0.9600 . ?
C5A H5A2 0.9600 . ?
C5A H5A3 0.9600 . ?
C6A H6A1 0.9600 . ?
C6A H6A2 0.9600 . ?
C6A H6A3 0.9600 . ?
C7A H7A1 0.9600 . ?
C7A H7A2 0.9600 . ?
C7A H7A3 0.9600 . ?
C8A H8A1 0.9600 . ?
C8A H8A2 0.9600 . ?
C8A H8A3 0.9600 . ?
C9A H9A1 0.9600 . ?
C9A H9A2 0.9600 . ?
C9A H9A3 0.9600 . ?
C10A H10D 0.9600 . ?
C10A H10E 0.9600 . ?
C10A H10F 0.9600 . ?
O1 C11 1.458(3) . ?
O2 C12 1.455(3) . ?
C11 C15 1.523(4) . ?
C11 C13 1.524(4) . ?
C11 C12 1.628(4) . ?
C12 C21 1.526(3) . ?
C12 C14 1.535(4) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C20 1.390(4) . ?
C15 C16 1.393(4) . ?
C16 C17 1.379(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.354(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.393(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.388(4) . ?
C21 C26 1.397(4) . ?
C22 C23 1.397(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.363(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.377(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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
O1 Si1 O2 96.65(9) . . ?
O1 Si1 C1 119.94(10) . . ?
O2 Si1 C1 116.50(10) . . ?
O1 Si1 Cl1 104.83(8) . . ?
O2 Si1 Cl1 109.53(7) . . ?
C1 Si1 Cl1 108.35(8) . . ?
C4 Si2 C2 105.3(5) . . ?
C4 Si2 C3 106.5(3) . . ?
C2 Si2 C3 107.7(4) . . ?
C4 Si2 C1 112.5(2) . . ?
C2 Si2 C1 111.3(4) . . ?
C3 Si2 C1 113.1(3) . . ?
C5 Si3 C6 103.1(4) . . ?
C5 Si3 C7 107.0(4) . . ?
C6 Si3 C7 106.5(4) . . ?
C5 Si3 C1 114.5(2) . . ?
C6 Si3 C1 113.6(2) . . ?
C7 Si3 C1 111.4(3) . . ?
C8 Si4 C10 103.5(3) . . ?
C8 Si4 C9 107.1(4) . . ?
C10 Si4 C9 107.6(3) . . ?
C8 Si4 C1 114.4(3) . . ?
C10 Si4 C1 111.0(2) . . ?
C9 Si4 C1 112.6(3) . . ?
C2A Si2A C4A 105.9(16) . . ?
C2A Si2A C3A 108.6(14) . . ?
C4A Si2A C3A 104.6(10) . . ?
C2A Si2A C1 111.6(16) . . ?
C4A Si2A C1 116.3(7) . . ?
C3A Si2A C1 109.5(9) . . ?
C5A Si3A C6A 105.2(11) . . ?
C5A Si3A C7A 104.7(15) . . ?
C6A Si3A C7A 107.8(13) . . ?
C5A Si3A C1 110.8(7) . . ?
C6A Si3A C1 112.4(8) . . ?
C7A Si3A C1 115.1(16) . . ?
C1 Si4A C8A 119.4(10) . . ?
C1 Si4A C9A 113.2(10) . . ?
C8A Si4A C9A 111.1(12) . . ?
C1 Si4A C10A 109.5(8) . . ?
C8A Si4A C10A 93.3(11) . . ?
C9A Si4A C10A 108.2(11) . . ?
Si2A C2A H2A1 109.5 . . ?
Si2A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 109.5 . . ?
Si2A C2A H2A3 109.5 . . ?
H2A1 C2A H2A3 109.5 . . ?
H2A2 C2A H2A3 109.5 . . ?
Si2A C3A H3A1 109.5 . . ?
Si2A C3A H3A2 109.5 . . ?
H3A1 C3A H3A2 109.5 . . ?
Si2A C3A H3A3 109.5 . . ?
H3A1 C3A H3A3 109.5 . . ?
H3A2 C3A H3A3 109.5 . . ?
Si2A C4A H4A1 109.5 . . ?
Si2A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
Si2A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
Si3A C5A H5A1 109.5 . . ?
Si3A C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
Si3A C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
Si3A C6A H6A1 109.5 . . ?
Si3A C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
Si3A C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
Si3A C7A H7A1 109.5 . . ?
Si3A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
Si3A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
Si4A C8A H8A1 109.5 . . ?
Si4A C8A H8A2 109.5 . . ?
H8A1 C8A H8A2 109.5 . . ?
Si4A C8A H8A3 109.5 . . ?
H8A1 C8A H8A3 109.5 . . ?
H8A2 C8A H8A3 109.5 . . ?
Si4A C9A H9A1 109.5 . . ?
Si4A C9A H9A2 109.5 . . ?
H9A1 C9A H9A2 109.5 . . ?
Si4A C9A H9A3 109.5 . . ?
H9A1 C9A H9A3 109.5 . . ?
H9A2 C9A H9A3 109.5 . . ?
Si4A C10A H10D 109.5 . . ?
Si4A C10A H10E 109.5 . . ?
H10D C10A H10E 109.5 . . ?
Si4A C10A H10F 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C11 O1 Si1 113.87(15) . . ?
C12 O2 Si1 111.17(15) . . ?
Si4A C1 Si1 109.98(16) . . ?
Si4A C1 Si3 135.01(19) . . ?
Si1 C1 Si3 111.16(13) . . ?
Si4A C1 Si2A 113.9(2) . . ?
Si1 C1 Si2A 106.12(19) . . ?
Si3 C1 Si2A 70.58(16) . . ?
Si4A C1 Si2 72.32(15) . . ?
Si1 C1 Si2 107.51(13) . . ?
Si3 C1 Si2 110.91(12) . . ?
Si2A C1 Si2 44.51(15) . . ?
Si4A C1 Si4 38.48(14) . . ?
Si1 C1 Si4 111.11(11) . . ?
Si3 C1 Si4 107.91(13) . . ?
Si2A C1 Si4 139.91(19) . . ?
Si2 C1 Si4 108.21(12) . . ?
Si4A C1 Si3A 111.7(2) . . ?
Si1 C1 Si3A 104.09(16) . . ?
Si3 C1 Si3A 40.15(13) . . ?
Si2A C1 Si3A 110.4(2) . . ?
Si2 C1 Si3A 144.30(17) . . ?
Si4 C1 Si3A 74.55(14) . . ?
O1 C11 C15 108.2(2) . . ?
O1 C11 C13 105.6(2) . . ?
C15 C11 C13 111.3(2) . . ?
O1 C11 C12 105.55(18) . . ?
C15 C11 C12 112.4(2) . . ?
C13 C11 C12 113.3(2) . . ?
O2 C12 C21 108.3(2) . . ?
O2 C12 C14 107.0(2) . . ?
C21 C12 C14 108.8(2) . . ?
O2 C12 C11 105.71(18) . . ?
C21 C12 C11 113.3(2) . . ?
C14 C12 C11 113.4(2) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 116.9(3) . . ?
C20 C15 C11 121.6(3) . . ?
C16 C15 C11 121.5(3) . . ?
C17 C16 C15 121.7(3) . . ?
C17 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 118.8(3) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C20 121.4(4) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C15 C20 C19 120.7(3) . . ?
C15 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C26 117.5(3) . . ?
C22 C21 C12 122.1(2) . . ?
C26 C21 C12 120.4(3) . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 119.4(3) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.9(3) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C25 C26 C21 121.2(3) . . ?
C25 C26 H26 119.4 . . ?
C21 C26 H26 119.4 . . ?

_diffrn_measured_fraction_theta_max 0.953
_diffrn_reflns_theta_full        27.18
_diffrn_measured_fraction_theta_full 0.953
_refine_diff_density_max         1.352
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.059


# Attachment 'compound-2-6.cif.txt'

data_compound_6
_database_code_depnum_ccdc_archive 'CCDC 770203'
#TrackingRef 'compound-2-6.cif.txt'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            2,5-dioxasilolane
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H41 Cl O3 Si4'
_chemical_formula_weight         536.38

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   17.846(2)
_cell_length_b                   9.1122(12)
_cell_length_c                   18.625(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.569(2)
_cell_angle_gamma                90.00
_cell_volume                     3027.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1148
_exptl_absorpt_coefficient_mu    0.308
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
Sample had a very weak diffraction and no reasonable
intensity at high Bragg angles.
;

_diffrn_ambient_temperature      273(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 ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7682
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         24.00
_reflns_number_total             4583
_reflns_number_gt                2631
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_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^)+(0.1207P)^2^+0.0256P] 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         4583
_refine_ls_number_parameters     339
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0669
_refine_ls_wR_factor_ref         0.2182
_refine_ls_wR_factor_gt          0.1917
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.12896(8) 0.60141(16) 0.07773(9) 0.0739(5) Uani 0.811(2) 1 d P A 1
Si1 Si 0.21003(8) 0.44260(17) 0.09991(8) 0.0483(5) Uani 0.811(2) 1 d P A 1
Si3 Si 0.23704(10) 0.11697(19) 0.12865(10) 0.0675(6) Uani 0.811(2) 1 d P A 1
C22 C 0.33951(18) 0.1749(4) 0.14949(19) 0.0807(12) Uani 0.811(2) 1 d P A 1
H22A H 0.3491 0.2679 0.1273 0.121 Uiso 0.811(2) 1 calc PR A 1
H22B H 0.3729 0.1024 0.1310 0.121 Uiso 0.811(2) 1 calc PR A 1
H22C H 0.3474 0.1833 0.2005 0.121 Uiso 0.811(2) 1 calc PR A 1
Si4 Si 0.07450(9) 0.2360(2) 0.09179(10) 0.0673(6) Uani 0.811(2) 1 d P A 1
C25 C 0.0449(7) 0.0405(13) 0.1037(8) 0.089(3) Uani 0.811(2) 1 d P A 1
H25A H 0.0394 0.0203 0.1538 0.133 Uiso 0.811(2) 1 calc PR A 1
H25B H 0.0822 -0.0235 0.0846 0.133 Uiso 0.811(2) 1 calc PR A 1
H25C H -0.0021 0.0244 0.0786 0.133 Uiso 0.811(2) 1 calc PR A 1
Cl1' Cl 0.33951(18) 0.1749(4) 0.14949(19) 0.0807(12) Uani 0.189(2) 1 d P A 2
Si1' Si 0.2640(4) 0.3342(8) 0.1203(4) 0.055(2) Uani 0.189(2) 1 d P A 2
Si3' Si 0.1613(4) 0.0648(8) 0.1187(4) 0.069(2) Uani 0.189(2) 1 d P A 2
C22' C 0.064(3) 0.006(6) 0.095(3) 0.067(14) Uani 0.189(2) 1 d PU A 2
H22D H 0.0524 -0.0823 0.1208 0.100 Uiso 0.189(2) 1 calc PR A 2
H22E H 0.0595 -0.0128 0.0443 0.100 Uiso 0.189(2) 1 calc PR A 2
H22F H 0.0294 0.0818 0.1077 0.100 Uiso 0.189(2) 1 calc PR A 2
Si4' Si 0.0960(4) 0.3832(9) 0.0888(4) 0.069(3) Uani 0.189(2) 1 d P A 2
C25' C 0.12896(8) 0.60141(16) 0.07773(9) 0.0739(5) Uani 0.189(2) 1 d P A 2
H25D H 0.1486 0.6371 0.1229 0.111 Uiso 0.189(2) 1 calc PR A 2
H25E H 0.0865 0.6597 0.0628 0.111 Uiso 0.189(2) 1 calc PR A 2
H25F H 0.1669 0.6080 0.0424 0.111 Uiso 0.189(2) 1 calc PR A 2
Si2 Si 0.15608(8) 0.31676(19) 0.24174(8) 0.0750(5) Uani 1 1 d . A .
O2 O 0.27937(16) 0.5223(4) 0.14744(16) 0.0643(9) Uani 1 1 d . . .
O1 O 0.25785(17) 0.4185(3) 0.02625(16) 0.0647(9) Uani 1 1 d . . .
O3 O 0.38769(18) 0.4198(4) 0.03568(16) 0.0693(10) Uani 1 1 d . . .
C1 C 0.3242(2) 0.5081(5) 0.0267(2) 0.0588(13) Uani 1 1 d . A .
C2 C 0.3254(3) 0.5987(6) -0.0418(3) 0.0684(14) Uani 1 1 d . . .
C3 C 0.2604(4) 0.6394(7) -0.0776(3) 0.0923(18) Uani 1 1 d . A .
H3 H 0.2143 0.6071 -0.0615 0.111 Uiso 1 1 calc R . .
C4 C 0.2634(6) 0.7284(9) -0.1375(4) 0.124(3) Uani 1 1 d . . .
H4 H 0.2191 0.7562 -0.1612 0.149 Uiso 1 1 calc R A .
C5 C 0.3303(9) 0.7762(10) -0.1627(5) 0.153(4) Uani 1 1 d . A .
H5 H 0.3315 0.8349 -0.2035 0.184 Uiso 1 1 calc R . .
C6 C 0.3947(6) 0.7377(9) -0.1279(5) 0.130(3) Uani 1 1 d . . .
H6 H 0.4402 0.7708 -0.1448 0.156 Uiso 1 1 calc R A .
C7 C 0.3938(4) 0.6483(7) -0.0665(3) 0.099(2) Uani 1 1 d . A .
H7 H 0.4384 0.6226 -0.0426 0.118 Uiso 1 1 calc R . .
C8 C 0.3183(2) 0.6079(5) 0.0953(2) 0.0580(13) Uani 1 1 d . A .
C9 C 0.3924(2) 0.6610(6) 0.1270(2) 0.0576(12) Uani 1 1 d . . .
C10 C 0.4158(3) 0.8015(6) 0.1108(3) 0.0717(15) Uani 1 1 d . A .
H10 H 0.3863 0.8604 0.0806 0.086 Uiso 1 1 calc R . .
C11 C 0.4830(3) 0.8553(6) 0.1391(3) 0.0842(18) Uani 1 1 d . . .
H11 H 0.4989 0.9493 0.1273 0.101 Uiso 1 1 calc R A .
C12 C 0.5255(3) 0.7704(8) 0.1842(3) 0.0824(18) Uani 1 1 d . A .
H12 H 0.5699 0.8076 0.2041 0.099 Uiso 1 1 calc R . .
C13 C 0.5037(3) 0.6313(8) 0.2006(3) 0.0861(18) Uani 1 1 d . . .
H13 H 0.5338 0.5736 0.2308 0.103 Uiso 1 1 calc R A .
C14 C 0.4373(3) 0.5760(6) 0.1723(3) 0.0729(15) Uani 1 1 d . A .
H14 H 0.4225 0.4812 0.1839 0.087 Uiso 1 1 calc R . .
C15 C 0.3986(3) 0.3138(7) -0.0196(3) 0.0938(19) Uani 1 1 d . A .
H15A H 0.3514 0.2702 -0.0332 0.141 Uiso 1 1 calc R . .
H15B H 0.4324 0.2391 -0.0022 0.141 Uiso 1 1 calc R . .
H15C H 0.4195 0.3611 -0.0606 0.141 Uiso 1 1 calc R . .
C16 C 0.1694(2) 0.2788(5) 0.1408(2) 0.0494(11) Uani 1 1 d . . .
C17 C 0.1243(3) 0.5091(7) 0.2578(3) 0.0938(19) Uani 1 1 d . . .
H17A H 0.0750 0.5226 0.2368 0.141 Uiso 1 1 calc R A .
H17B H 0.1584 0.5764 0.2363 0.141 Uiso 1 1 calc R . .
H17C H 0.1230 0.5271 0.3085 0.141 Uiso 1 1 calc R . .
C18 C 0.0857(4) 0.1906(8) 0.2807(3) 0.102(2) Uani 1 1 d . . .
H18A H 0.1031 0.0912 0.2773 0.153 Uiso 1 1 calc R A .
H18B H 0.0388 0.2003 0.2546 0.153 Uiso 1 1 calc R . .
H18C H 0.0789 0.2152 0.3302 0.153 Uiso 1 1 calc R . .
C19 C 0.2460(3) 0.2950(8) 0.2958(3) 0.107(2) Uani 1 1 d . . .
H19A H 0.2386 0.3270 0.3442 0.161 Uiso 1 1 calc R A .
H19B H 0.2845 0.3532 0.2747 0.161 Uiso 1 1 calc R . .
H19C H 0.2607 0.1936 0.2959 0.161 Uiso 1 1 calc R . .
C20 C 0.2140(4) -0.0439(6) 0.1887(3) 0.099(2) Uani 1 1 d . . .
H20A H 0.2490 -0.1220 0.1811 0.119 Uiso 0.811(2) 1 calc PR A 1
H20B H 0.1641 -0.0777 0.1774 0.119 Uiso 0.811(2) 1 calc PR A 1
H20C H 0.2172 -0.0136 0.2380 0.119 Uiso 0.811(2) 1 calc PR A 1
H20D H 0.2642 -0.0069 0.1938 0.119 Uiso 0.189(2) 1 d PR A 2
H20E H 0.2154 -0.1451 0.1745 0.119 Uiso 0.189(2) 1 d PR A 2
H20F H 0.1894 -0.0356 0.2337 0.119 Uiso 0.189(2) 1 d PR A 2
C21 C 0.2296(3) 0.0459(7) 0.0333(3) 0.0955(19) Uani 1 1 d . . .
H21A H 0.2637 -0.0347 0.0279 0.115 Uiso 0.811(2) 1 calc PR A 1
H21B H 0.2422 0.1230 0.0007 0.115 Uiso 0.811(2) 1 calc PR A 1
H21C H 0.1793 0.0133 0.0231 0.115 Uiso 0.811(2) 1 calc PR A 1
H21D H 0.2785 0.0829 0.0463 0.115 Uiso 0.189(2) 1 d PR A 2
H21E H 0.2092 0.1014 -0.0064 0.115 Uiso 0.189(2) 1 d PR A 2
H21F H 0.2334 -0.0554 0.0199 0.115 Uiso 0.189(2) 1 d PR A 2
C23 C 0.0823(3) 0.2768(7) -0.0073(3) 0.0882(18) Uani 1 1 d . . .
H23A H 0.0975 0.3769 -0.0135 0.106 Uiso 0.811(2) 1 calc PR A 1
H23B H 0.0346 0.2614 -0.0311 0.106 Uiso 0.811(2) 1 calc PR A 1
H23C H 0.1188 0.2127 -0.0276 0.106 Uiso 0.811(2) 1 calc PR A 1
H23D H 0.0450 0.3265 -0.0363 0.106 Uiso 0.189(2) 1 d PR A 2
H23E H 0.0666 0.1776 0.0011 0.106 Uiso 0.189(2) 1 d PR A 2
H23F H 0.1290 0.2763 -0.0317 0.106 Uiso 0.189(2) 1 d PR A 2
C24 C -0.0052(3) 0.3498(7) 0.1252(3) 0.0957(19) Uani 1 1 d . . .
H24A H 0.0074 0.4519 0.1218 0.115 Uiso 0.811(2) 1 calc PR A 1
H24B H -0.0141 0.3252 0.1744 0.115 Uiso 0.811(2) 1 calc PR A 1
H24C H -0.0496 0.3303 0.0964 0.115 Uiso 0.811(2) 1 calc PR A 1
H24D H -0.0410 0.4053 0.0970 0.115 Uiso 0.189(2) 1 d PR A 2
H24E H -0.0067 0.3805 0.1744 0.115 Uiso 0.189(2) 1 d PR A 2
H24F H -0.0172 0.2473 0.1219 0.115 Uiso 0.189(2) 1 d PR A 2

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
Cl1 0.0486(8) 0.0671(10) 0.1053(12) 0.0005(9) -0.0094(8) 0.0143(7)
Si1 0.0335(8) 0.0529(10) 0.0579(10) -0.0038(8) -0.0062(7) 0.0030(7)
Si3 0.0660(12) 0.0612(11) 0.0747(12) -0.0005(9) -0.0112(9) 0.0065(9)
C22 0.064(2) 0.082(2) 0.096(3) -0.005(2) -0.0233(18) 0.0231(19)
Si4 0.0492(10) 0.0792(14) 0.0729(12) -0.0054(10) -0.0100(8) -0.0137(9)
C25 0.076(7) 0.089(8) 0.101(7) -0.024(6) 0.009(6) -0.037(6)
Cl1' 0.064(2) 0.082(2) 0.096(3) -0.005(2) -0.0233(18) 0.0231(19)
Si1' 0.043(4) 0.068(5) 0.053(4) -0.007(4) -0.003(3) 0.007(3)
Si3' 0.063(5) 0.058(5) 0.085(5) -0.007(4) -0.004(4) -0.011(4)
C22' 0.066(14) 0.067(14) 0.067(14) 0.000(2) 0.002(2) 0.000(2)
Si4' 0.047(4) 0.077(6) 0.083(6) -0.008(4) -0.004(4) 0.008(4)
C25' 0.0486(8) 0.0671(10) 0.1053(12) 0.0005(9) -0.0094(8) 0.0143(7)
Si2 0.0600(9) 0.1023(13) 0.0627(10) -0.0110(9) 0.0024(7) -0.0140(8)
O2 0.0510(18) 0.081(2) 0.061(2) -0.0126(18) 0.0043(15) -0.0200(17)
O1 0.0577(19) 0.079(2) 0.0574(19) -0.0132(17) 0.0064(15) -0.0204(17)
O3 0.059(2) 0.084(2) 0.065(2) -0.0136(19) 0.0030(16) 0.0058(18)
C1 0.044(3) 0.069(3) 0.063(3) -0.007(3) 0.001(2) -0.006(2)
C2 0.068(3) 0.074(4) 0.063(3) -0.005(3) -0.004(3) -0.011(3)
C3 0.095(5) 0.112(5) 0.069(4) 0.008(4) -0.016(3) 0.001(4)
C4 0.164(8) 0.127(7) 0.079(5) 0.006(5) -0.027(5) 0.026(6)
C5 0.261(15) 0.109(7) 0.091(7) 0.025(5) 0.019(8) -0.002(8)
C6 0.176(9) 0.122(7) 0.093(6) 0.013(5) 0.020(6) -0.057(6)
C7 0.096(5) 0.116(5) 0.083(4) 0.005(4) 0.006(4) -0.038(4)
C8 0.044(3) 0.071(3) 0.059(3) -0.008(3) 0.004(2) -0.017(2)
C9 0.043(3) 0.071(3) 0.059(3) -0.010(3) 0.000(2) -0.006(2)
C10 0.050(3) 0.063(4) 0.102(4) -0.015(3) -0.002(3) -0.002(3)
C11 0.068(4) 0.066(4) 0.120(5) -0.029(4) 0.009(4) -0.017(3)
C12 0.046(3) 0.110(5) 0.091(4) -0.035(4) -0.005(3) -0.006(3)
C13 0.059(3) 0.122(5) 0.076(4) -0.001(4) -0.014(3) -0.006(4)
C14 0.063(3) 0.092(4) 0.064(3) 0.008(3) -0.012(3) -0.015(3)
C15 0.091(4) 0.097(5) 0.094(4) -0.039(4) 0.020(3) 0.001(4)
C16 0.037(2) 0.058(3) 0.053(3) 0.000(2) -0.001(2) -0.002(2)
C17 0.083(4) 0.109(5) 0.090(4) -0.044(4) 0.009(3) -0.011(4)
C18 0.104(5) 0.132(5) 0.072(4) 0.000(4) 0.017(3) -0.043(4)
C19 0.092(4) 0.163(6) 0.066(4) -0.008(4) -0.027(3) -0.015(4)
C20 0.132(5) 0.056(3) 0.108(5) 0.015(3) -0.024(4) 0.004(4)
C21 0.111(5) 0.086(4) 0.090(4) -0.023(3) 0.002(4) 0.023(4)
C23 0.069(4) 0.122(5) 0.072(4) 0.000(3) -0.022(3) -0.001(3)
C24 0.045(3) 0.120(5) 0.123(5) -0.003(4) 0.005(3) -0.007(3)

_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
Cl1 Si1 2.0797(19) . ?
Si1 O1 1.650(3) . ?
Si1 O2 1.668(3) . ?
Si1 C16 1.834(4) . ?
Si3 C21 1.891(5) . ?
Si3 C20 1.896(6) . ?
Si3 C16 1.923(5) . ?
Si3 C22 1.933(4) . ?
Si3 H20D 1.7177 . ?
Si3 H21D 1.7489 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
Si4 C25 1.873(12) . ?
Si4 C24 1.880(6) . ?
Si4 C23 1.891(6) . ?
Si4 C16 1.941(4) . ?
Si4 H23E 1.7734 . ?
Si4 H24F 1.7477 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
Si1' O2 1.806(8) . ?
Si1' C16 1.813(8) . ?
Si1' O1 1.913(8) . ?
Si3' C22' 1.86(6) . ?
Si3' C20 1.871(10) . ?
Si3' C16 1.997(8) . ?
Si3' C21 2.038(10) . ?
C22' H22D 0.9600 . ?
C22' H22E 0.9600 . ?
C22' H22F 0.9600 . ?
Si4' C16 1.867(8) . ?
Si4' C24 1.970(9) . ?
Si4' C23 2.044(10) . ?
Si2 C18 1.865(6) . ?
Si2 C17 1.869(6) . ?
Si2 C19 1.881(5) . ?
Si2 C16 1.933(5) . ?
O2 C8 1.440(5) . ?
O1 C1 1.438(5) . ?
O3 C1 1.396(5) . ?
O3 C15 1.429(6) . ?
C1 C2 1.520(7) . ?
C1 C8 1.574(6) . ?
C2 C3 1.373(7) . ?
C2 C7 1.392(8) . ?
C3 C4 1.383(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.350(12) . ?
C5 H5 0.9300 . ?
C6 C7 1.405(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.513(6) . ?
C9 C10 1.383(7) . ?
C9 C14 1.385(7) . ?
C10 C11 1.386(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.358(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.362(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.379(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 H20D 0.9600 . ?
C20 H20E 0.9600 . ?
C20 H20F 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 H21D 0.9600 . ?
C21 H21E 0.9600 . ?
C21 H21F 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C23 H23D 0.9600 . ?
C23 H23E 0.9600 . ?
C23 H23F 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 H24D 0.9600 . ?
C24 H24E 0.9600 . ?
C24 H24F 0.9600 . ?

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
O1 Si1 O2 96.09(16) . . ?
O1 Si1 C16 117.14(19) . . ?
O2 Si1 C16 115.48(18) . . ?
O1 Si1 Cl1 107.47(14) . . ?
O2 Si1 Cl1 107.73(15) . . ?
C16 Si1 Cl1 111.58(15) . . ?
C21 Si3 C20 106.2(3) . . ?
C21 Si3 C16 110.2(2) . . ?
C20 Si3 C16 112.1(3) . . ?
C21 Si3 C22 108.9(2) . . ?
C20 Si3 C22 108.2(2) . . ?
C16 Si3 C22 111.14(18) . . ?
C21 Si3 H20D 116.7 . . ?
C20 Si3 H20D 30.3 . . ?
C16 Si3 H20D 126.0 . . ?
C22 Si3 H20D 77.9 . . ?
C21 Si3 H21D 30.3 . . ?
C20 Si3 H21D 118.9 . . ?
C16 Si3 H21D 121.4 . . ?
C22 Si3 H21D 78.7 . . ?
H20D Si3 H21D 112.6 . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 Si4 C24 105.5(4) . . ?
C25 Si4 C23 109.3(5) . . ?
C24 Si4 C23 106.9(3) . . ?
C25 Si4 C16 112.4(5) . . ?
C24 Si4 C16 113.1(2) . . ?
C23 Si4 C16 109.4(2) . . ?
C25 Si4 H23E 79.2 . . ?
C24 Si4 H23E 116.1 . . ?
C23 Si4 H23E 30.2 . . ?
C16 Si4 H23E 123.6 . . ?
C25 Si4 H24F 75.4 . . ?
C24 Si4 H24F 30.4 . . ?
C23 Si4 H24F 113.3 . . ?
C16 Si4 H24F 130.5 . . ?
H23E Si4 H24F 105.8 . . ?
Si4 C25 H25A 109.5 . . ?
Si4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O2 Si1' C16 109.9(4) . . ?
O2 Si1' O1 83.1(3) . . ?
C16 Si1' O1 105.9(3) . . ?
C22' Si3' C20 117.4(19) . . ?
C22' Si3' C16 113.1(16) . . ?
C20 Si3' C16 110.0(4) . . ?
C22' Si3' C21 111.4(18) . . ?
C20 Si3' C21 101.4(5) . . ?
C16 Si3' C21 101.6(4) . . ?
Si3' C22' H22D 109.5 . . ?
Si3' C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
Si3' C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
C16 Si4' C24 112.3(5) . . ?
C16 Si4' C23 106.1(4) . . ?
C24 Si4' C23 98.0(4) . . ?
C18 Si2 C17 107.8(3) . . ?
C18 Si2 C19 107.5(3) . . ?
C17 Si2 C19 105.8(3) . . ?
C18 Si2 C16 111.7(2) . . ?
C17 Si2 C16 111.7(2) . . ?
C19 Si2 C16 112.1(2) . . ?
C8 O2 Si1 104.0(2) . . ?
C8 O2 Si1' 113.4(3) . . ?
Si1 O2 Si1' 48.2(2) . . ?
C1 O1 Si1 111.4(3) . . ?
C1 O1 Si1' 101.3(3) . . ?
Si1 O1 Si1' 46.4(2) . . ?
C1 O3 C15 115.4(4) . . ?
O3 C1 O1 109.8(4) . . ?
O3 C1 C2 112.6(4) . . ?
O1 C1 C2 109.5(4) . . ?
O3 C1 C8 107.9(3) . . ?
O1 C1 C8 105.0(3) . . ?
C2 C1 C8 111.7(4) . . ?
C3 C2 C7 119.3(6) . . ?
C3 C2 C1 121.5(5) . . ?
C7 C2 C1 119.1(5) . . ?
C2 C3 C4 119.9(7) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 121.3(9) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C6 C5 C4 119.5(9) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C5 C6 C7 120.9(9) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C2 C7 C6 119.1(7) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
O2 C8 C9 110.1(4) . . ?
O2 C8 C1 106.2(3) . . ?
C9 C8 C1 115.1(4) . . ?
C10 C9 C14 118.6(4) . . ?
C10 C9 C8 118.5(4) . . ?
C14 C9 C8 123.0(5) . . ?
C9 C10 C11 120.5(5) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C12 C11 C10 119.8(5) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 120.7(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C14 120.1(6) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C9 120.3(5) . . ?
C13 C14 H14 119.8 . . ?
C9 C14 H14 119.8 . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1' C16 Si1 46.0(3) . . ?
Si1' C16 Si4' 113.1(4) . . ?
Si1 C16 Si4' 69.5(3) . . ?
Si1' C16 Si3 66.3(3) . . ?
Si1 C16 Si3 108.6(2) . . ?
Si4' C16 Si3 139.8(3) . . ?
Si1' C16 Si2 107.2(3) . . ?
Si1 C16 Si2 108.6(2) . . ?
Si4' C16 Si2 108.1(3) . . ?
Si3 C16 Si2 110.2(2) . . ?
Si1' C16 Si4 139.7(3) . . ?
Si1 C16 Si4 108.6(2) . . ?
Si4' C16 Si4 43.0(3) . . ?
Si3 C16 Si4 109.5(2) . . ?
Si2 C16 Si4 111.4(2) . . ?
Si1' C16 Si3' 106.9(4) . . ?
Si1 C16 Si3' 137.4(3) . . ?
Si4' C16 Si3' 110.2(4) . . ?
Si3 C16 Si3' 43.1(2) . . ?
Si2 C16 Si3' 111.4(3) . . ?
Si4 C16 Si3' 69.5(3) . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3' C20 Si3 45.0(3) . . ?
Si3' C20 H20A 127.3 . . ?
Si3 C20 H20A 109.5 . . ?
Si3' C20 H20B 64.6 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3' C20 H20C 122.0 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3' C20 H20D 109.5 . . ?
Si3 C20 H20D 64.5 . . ?
H20A C20 H20D 70.5 . . ?
H20B C20 H20D 172.9 . . ?
H20C C20 H20D 76.8 . . ?
Si3' C20 H20E 109.5 . . ?
Si3 C20 H20E 124.9 . . ?
H20A C20 H20E 39.2 . . ?
H20B C20 H20E 70.3 . . ?
H20C C20 H20E 122.7 . . ?
H20D C20 H20E 109.5 . . ?
Si3' C20 H20F 109.5 . . ?
Si3 C20 H20F 124.4 . . ?
H20A C20 H20F 120.2 . . ?
H20B C20 H20F 76.9 . . ?
H20C C20 H20F 32.6 . . ?
H20D C20 H20F 109.5 . . ?
H20E C20 H20F 109.5 . . ?
Si3 C21 Si3' 42.8(2) . . ?
Si3 C21 H21A 109.5 . . ?
Si3' C21 H21A 122.8 . . ?
Si3 C21 H21B 109.5 . . ?
Si3' C21 H21B 126.0 . . ?
H21A C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
Si3' C21 H21C 66.7 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si3 C21 H21D 66.7 . . ?
Si3' C21 H21D 109.5 . . ?
H21A C21 H21D 73.9 . . ?
H21B C21 H21D 71.1 . . ?
H21C C21 H21D 175.8 . . ?
Si3 C21 H21E 123.9 . . ?
Si3' C21 H21E 109.5 . . ?
H21A C21 H21E 123.3 . . ?
H21B C21 H21E 38.4 . . ?
H21C C21 H21E 71.1 . . ?
H21D C21 H21E 109.5 . . ?
Si3 C21 H21F 124.8 . . ?
Si3' C21 H21F 109.5 . . ?
H21A C21 H21F 35.6 . . ?
H21B C21 H21F 121.3 . . ?
H21C C21 H21F 73.9 . . ?
H21D C21 H21F 109.5 . . ?
H21E C21 H21F 109.5 . . ?
Si4 C23 Si4' 41.4(3) . . ?
Si4 C23 H23A 109.5 . . ?
Si4' C23 H23A 68.1 . . ?
Si4 C23 H23B 109.5 . . ?
Si4' C23 H23B 123.8 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
Si4' C23 H23C 124.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C23 H23D 125.0 . . ?
Si4' C23 H23D 109.5 . . ?
H23A C23 H23D 71.2 . . ?
H23B C23 H23D 38.3 . . ?
H23C C23 H23D 122.3 . . ?
Si4 C23 H23E 68.1 . . ?
Si4' C23 H23E 109.5 . . ?
H23A C23 H23E 177.5 . . ?
H23B C23 H23E 71.2 . . ?
H23C C23 H23E 72.3 . . ?
H23D C23 H23E 109.5 . . ?
Si4 C23 H23F 123.4 . . ?
Si4' C23 H23F 109.5 . . ?
H23A C23 H23F 72.3 . . ?
H23B C23 H23F 123.4 . . ?
H23C C23 H23F 37.2 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
Si4 C24 Si4' 42.5(3) . . ?
Si4 C24 H24A 109.5 . . ?
Si4' C24 H24A 67.0 . . ?
Si4 C24 H24B 109.5 . . ?
Si4' C24 H24B 122.8 . . ?
H24A C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
Si4' C24 H24C 125.9 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si4 C24 H24D 127.4 . . ?
Si4' C24 H24D 109.5 . . ?
H24A C24 H24D 66.8 . . ?
H24B C24 H24D 121.3 . . ?
H24C C24 H24D 42.8 . . ?
Si4 C24 H24E 121.2 . . ?
Si4' C24 H24E 109.5 . . ?
H24A C24 H24E 78.0 . . ?
H24B C24 H24E 31.5 . . ?
H24C C24 H24E 122.9 . . ?
H24D C24 H24E 109.5 . . ?
Si4 C24 H24F 67.1 . . ?
Si4' C24 H24F 109.5 . . ?
H24A C24 H24F 172.6 . . ?
H24B C24 H24F 78.0 . . ?
H24C C24 H24F 66.7 . . ?
H24D C24 H24F 109.5 . . ?
H24E C24 H24F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.963
_diffrn_reflns_theta_full        24.00
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.058