# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       'weinert@chem.okstate.edu '
_publ_contact_author_name        'Charles S. Weinert'
loop_
_publ_author_name
A.Schrick
A.Rheingold
'Charles S. Weinert'

data_wein96
_database_code_depnum_ccdc_archive 'CCDC 809457'
#TrackingRef '- wein96.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H120 Ge2 O10 Si4'
_chemical_formula_weight         1859.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6884(9)
_cell_length_b                   14.1898(18)
_cell_length_c                   14.3933(10)
_cell_angle_alpha                96.451(5)
_cell_angle_beta                 117.150(3)
_cell_angle_gamma                99.266(5)
_cell_volume                     2399.6(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7367
_cell_measurement_theta_min      3.23
_cell_measurement_theta_max      65.11

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             980
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_T_max  0.8468
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_reflns_number            27572
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.74
_diffrn_reflns_theta_max         65.16
_reflns_number_total             7961
_reflns_number_gt                7406
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_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^)+(0.0300P)^2^+1.2000P] 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         7961
_refine_ls_number_parameters     568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0736
_refine_ls_wR_factor_gt          0.0722
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.003
_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
Ge1 Ge 0.485331(16) 0.417129(13) 0.406173(15) 0.01711(7) Uani 1 1 d . . .
Si1 Si 0.43970(4) 0.20697(3) 0.73928(4) 0.01936(11) Uani 1 1 d . . .
Si2 Si 0.15522(4) 0.35599(3) 0.00442(4) 0.02008(11) Uani 1 1 d . . .
O1 O 0.40530(9) 0.50609(8) 0.44382(9) 0.0170(2) Uani 1 1 d . . .
O2 O 0.52659(9) 0.51064(8) 0.34467(9) 0.0190(2) Uani 1 1 d . . .
O3 O 0.45082(10) 0.24911(8) 0.64081(9) 0.0189(2) Uani 1 1 d . . .
O4 O 0.26094(10) 0.33301(9) 0.10943(9) 0.0220(3) Uani 1 1 d . . .
O5 O 0.26184(11) 0.19673(9) 0.30562(11) 0.0293(3) Uani 1 1 d . . .
H5A H 0.2442 0.2239 0.2532 0.044 Uiso 1 1 calc R . .
C1 C 0.28888(17) 0.18438(14) 0.70414(17) 0.0307(4) Uani 1 1 d . . .
H1A H 0.2641 0.2454 0.6955 0.046 Uiso 1 1 calc R . .
H1B H 0.2791 0.1602 0.7612 0.046 Uiso 1 1 calc R . .
H1C H 0.2435 0.1356 0.6371 0.046 Uiso 1 1 calc R . .
C2 C 0.49236(17) 0.09411(13) 0.75709(15) 0.0282(4) Uani 1 1 d . . .
H2A H 0.4474 0.0441 0.6910 0.042 Uiso 1 1 calc R . .
H2B H 0.4856 0.0701 0.8156 0.042 Uiso 1 1 calc R . .
H2C H 0.5719 0.1085 0.7740 0.042 Uiso 1 1 calc R . .
C3 C 0.52296(19) 0.30348(14) 0.86321(15) 0.0320(5) Uani 1 1 d . . .
H3A H 0.4940 0.3624 0.8522 0.048 Uiso 1 1 calc R . .
H3B H 0.6026 0.3187 0.8807 0.048 Uiso 1 1 calc R . .
H3C H 0.5162 0.2803 0.9221 0.048 Uiso 1 1 calc R . .
C4 C 0.03023(16) 0.33096(14) 0.02445(16) 0.0294(4) Uani 1 1 d . . .
H4A H 0.0100 0.2615 0.0244 0.044 Uiso 1 1 calc R . .
H4B H -0.0334 0.3478 -0.0335 0.044 Uiso 1 1 calc R . .
H4C H 0.0478 0.3703 0.0930 0.044 Uiso 1 1 calc R . .
C5 C 0.13222(19) 0.27822(14) -0.11956(15) 0.0332(5) Uani 1 1 d . . .
H5B H 0.1135 0.2093 -0.1170 0.050 Uiso 1 1 calc R . .
H5C H 0.2012 0.2922 -0.1258 0.050 Uiso 1 1 calc R . .
H5D H 0.0698 0.2920 -0.1814 0.050 Uiso 1 1 calc R . .
C6 C 0.19130(16) 0.48778(13) 0.00461(14) 0.0259(4) Uani 1 1 d . . .
H6A H 0.2571 0.5021 -0.0066 0.039 Uiso 1 1 calc R . .
H6B H 0.2089 0.5267 0.0734 0.039 Uiso 1 1 calc R . .
H6C H 0.1269 0.5042 -0.0529 0.039 Uiso 1 1 calc R . .
C7 C 0.50187(14) 0.22198(12) 0.58221(13) 0.0182(3) Uani 1 1 d . . .
C8 C 0.44395(15) 0.14215(13) 0.49517(14) 0.0231(4) Uani 1 1 d . . .
C9 C 0.32524(16) 0.08612(15) 0.46346(15) 0.0310(4) Uani 1 1 d . . .
H9A H 0.3298 0.0351 0.5060 0.037 Uiso 1 1 calc R . .
H9B H 0.2846 0.1314 0.4799 0.037 Uiso 1 1 calc R . .
C10 C 0.25969(15) 0.03866(13) 0.34582(14) 0.0229(4) Uani 1 1 d . . .
C11 C 0.23037(15) -0.06213(13) 0.30947(15) 0.0251(4) Uani 1 1 d . . .
H11A H 0.2451 -0.1034 0.3595 0.030 Uiso 1 1 calc R . .
C12 C 0.17999(16) -0.10319(13) 0.20153(15) 0.0262(4) Uani 1 1 d . . .
H12A H 0.1581 -0.1722 0.1777 0.031 Uiso 1 1 calc R . .
C13 C 0.16165(15) -0.04343(13) 0.12844(14) 0.0257(4) Uani 1 1 d . . .
H13A H 0.1290 -0.0717 0.0546 0.031 Uiso 1 1 calc R . .
C14 C 0.19062(14) 0.05757(13) 0.16212(14) 0.0227(4) Uani 1 1 d . . .
C15 C 0.23622(15) 0.09668(12) 0.27035(14) 0.0220(4) Uani 1 1 d . . .
C16 C 0.18572(16) 0.12569(15) 0.08781(16) 0.0306(4) Uani 1 1 d . . .
H16A H 0.1458 0.1756 0.0960 0.037 Uiso 1 1 calc R . .
H16B H 0.1426 0.0883 0.0130 0.037 Uiso 1 1 calc R . .
C17 C 0.30398(15) 0.17583(13) 0.11156(14) 0.0239(4) Uani 1 1 d . . .
C18 C 0.38532(16) 0.12180(13) 0.13096(15) 0.0283(4) Uani 1 1 d . . .
H18A H 0.3659 0.0540 0.1292 0.034 Uiso 1 1 calc R . .
C19 C 0.49331(16) 0.16472(13) 0.15269(15) 0.0278(4) Uani 1 1 d . . .
H19A H 0.5477 0.1268 0.1662 0.033 Uiso 1 1 calc R . .
C20 C 0.52206(16) 0.26335(13) 0.15478(14) 0.0242(4) Uani 1 1 d . . .
H20A H 0.5962 0.2926 0.1687 0.029 Uiso 1 1 calc R . .
C21 C 0.44396(15) 0.32039(12) 0.13676(13) 0.0202(4) Uani 1 1 d . . .
C22 C 0.33565(15) 0.27568(13) 0.11659(13) 0.0199(4) Uani 1 1 d . . .
C23 C 0.47444(15) 0.42776(12) 0.13550(13) 0.0209(4) Uani 1 1 d . . .
H23A H 0.4654 0.4331 0.0642 0.025 Uiso 1 1 calc R . .
H23B H 0.4201 0.4600 0.1457 0.025 Uiso 1 1 calc R . .
C24 C 0.59260(15) 0.48223(12) 0.21899(13) 0.0190(4) Uani 1 1 d . . .
C25 C 0.68124(16) 0.49807(13) 0.19618(15) 0.0237(4) Uani 1 1 d . . .
H25A H 0.6685 0.4715 0.1269 0.028 Uiso 1 1 calc R . .
C26 C 0.78824(15) 0.55215(13) 0.27297(15) 0.0242(4) Uani 1 1 d . . .
H26A H 0.8484 0.5616 0.2565 0.029 Uiso 1 1 calc R . .
C27 C 0.80704(15) 0.59232(12) 0.37376(14) 0.0220(4) Uani 1 1 d . . .
H27A H 0.8803 0.6298 0.4258 0.026 Uiso 1 1 calc R . .
C28 C 0.72055(14) 0.57879(12) 0.40004(13) 0.0183(3) Uani 1 1 d . . .
C29 C 0.61377(14) 0.52158(12) 0.32225(13) 0.0177(3) Uani 1 1 d . . .
C30 C 0.73991(14) 0.62755(12) 0.50852(13) 0.0192(4) Uani 1 1 d . . .
H30A H 0.7953 0.6913 0.5332 0.023 Uiso 1 1 calc R . .
H30B H 0.6679 0.6404 0.5009 0.023 Uiso 1 1 calc R . .
C31 C 0.78289(14) 0.56674(12) 0.59217(13) 0.0180(3) Uani 1 1 d . . .
C32 C 0.89838(14) 0.57231(13) 0.65044(14) 0.0217(4) Uani 1 1 d . . .
H32A H 0.9499 0.6168 0.6393 0.026 Uiso 1 1 calc R . .
C33 C 0.93952(15) 0.51462(13) 0.72395(14) 0.0232(4) Uani 1 1 d . . .
H33A H 1.0186 0.5197 0.7629 0.028 Uiso 1 1 calc R . .
C34 C 0.86524(15) 0.44925(13) 0.74079(13) 0.0217(4) Uani 1 1 d . . .
H34A H 0.8940 0.4092 0.7909 0.026 Uiso 1 1 calc R . .
C35 C 0.74950(14) 0.44143(12) 0.68552(13) 0.0180(3) Uani 1 1 d . . .
C36 C 0.71050(13) 0.50126(12) 0.61204(13) 0.0164(3) Uani 1 1 d . . .
C37 C 0.66751(14) 0.36681(12) 0.69898(13) 0.0187(3) Uani 1 1 d . . .
H37A H 0.6107 0.3981 0.7055 0.022 Uiso 1 1 calc R . .
H37B H 0.7091 0.3445 0.7660 0.022 Uiso 1 1 calc R . .
C38 C 0.60692(14) 0.27867(12) 0.60613(13) 0.0172(3) Uani 1 1 d . . .
C39 C 0.65519(14) 0.25239(12) 0.54324(13) 0.0198(4) Uani 1 1 d . . .
H39A H 0.7266 0.2904 0.5584 0.024 Uiso 1 1 calc R . .
C40 C 0.60106(15) 0.17198(13) 0.45913(14) 0.0245(4) Uani 1 1 d . . .
H40A H 0.6357 0.1543 0.4179 0.029 Uiso 1 1 calc R . .
C41 C 0.49652(16) 0.11769(14) 0.43568(15) 0.0273(4) Uani 1 1 d . . .
H41A H 0.4595 0.0625 0.3779 0.033 Uiso 1 1 calc R . .
C51 C 0.07345(18) 0.82886(15) 0.81860(16) 0.0322(4) Uani 1 1 d . . .
H51A H -0.0059 0.8022 0.7791 0.039 Uiso 1 1 calc R . .
C52 C 0.1442(2) 0.77091(17) 0.87075(19) 0.0444(6) Uani 1 1 d . . .
H52A H 0.1129 0.7047 0.8663 0.053 Uiso 1 1 calc R . .
C53 C 0.2589(2) 0.8077(2) 0.92881(18) 0.0496(6) Uani 1 1 d . . .
H53A H 0.3073 0.7674 0.9640 0.060 Uiso 1 1 calc R . .
C54 C 0.3031(2) 0.9047(2) 0.93528(17) 0.0455(6) Uani 1 1 d . . .
H54A H 0.3825 0.9312 0.9759 0.055 Uiso 1 1 calc R . .
C55 C 0.23373(17) 0.96273(16) 0.88375(16) 0.0353(5) Uani 1 1 d . . .
H55A H 0.2655 1.0291 0.8893 0.042 Uiso 1 1 calc R . .
C56 C 0.11721(17) 0.92553(15) 0.82334(15) 0.0297(4) Uani 1 1 d . . .
C57 C 0.0420(2) 0.98787(17) 0.76446(18) 0.0415(5) Uani 1 1 d . . .
H57A H 0.0878 1.0533 0.7768 0.062 Uiso 1 1 calc R . .
H57B H -0.0126 0.9926 0.7901 0.062 Uiso 1 1 calc R . .
H57C H 0.0014 0.9586 0.6879 0.062 Uiso 1 1 calc R . .
C61 C 0.17842(16) 0.81861(14) 0.63024(15) 0.0275(4) Uani 1 1 d . . .
H61A H 0.2181 0.8134 0.7027 0.033 Uiso 1 1 calc R . .
C62 C 0.16345(18) 0.90881(14) 0.60617(16) 0.0311(4) Uani 1 1 d . . .
H62A H 0.1940 0.9651 0.6622 0.037 Uiso 1 1 calc R . .
C63 C 0.10455(18) 0.91743(14) 0.50151(16) 0.0314(4) Uani 1 1 d . . .
H63A H 0.0938 0.9793 0.4854 0.038 Uiso 1 1 calc R . .
C64 C 0.06114(16) 0.83560(14) 0.42005(15) 0.0289(4) Uani 1 1 d . . .
H64A H 0.0205 0.8411 0.3478 0.035 Uiso 1 1 calc R . .
C65 C 0.07701(15) 0.74547(13) 0.44403(15) 0.0250(4) Uani 1 1 d . . .
H65A H 0.0472 0.6896 0.3877 0.030 Uiso 1 1 calc R . .
C66 C 0.13589(15) 0.73552(13) 0.54936(15) 0.0240(4) Uani 1 1 d . . .
C67 C 0.15451(19) 0.63797(15) 0.57472(18) 0.0369(5) Uani 1 1 d . . .
H67A H 0.1971 0.6448 0.6523 0.055 Uiso 1 1 calc R . .
H67B H 0.1973 0.6140 0.5420 0.055 Uiso 1 1 calc R . .
H67C H 0.0813 0.5915 0.5464 0.055 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
Ge1 0.01536(11) 0.01739(10) 0.02117(11) 0.00366(8) 0.01101(8) 0.00406(7)
Si1 0.0261(3) 0.0182(2) 0.0205(2) 0.00646(18) 0.0155(2) 0.00773(19)
Si2 0.0212(2) 0.0221(2) 0.0172(2) 0.00417(18) 0.0089(2) 0.00667(19)
O1 0.0123(6) 0.0204(6) 0.0203(6) 0.0045(5) 0.0093(5) 0.0046(4)
O2 0.0160(6) 0.0227(6) 0.0240(6) 0.0065(5) 0.0136(5) 0.0055(5)
O3 0.0211(6) 0.0221(6) 0.0204(6) 0.0067(5) 0.0144(5) 0.0077(5)
O4 0.0208(6) 0.0290(6) 0.0203(6) 0.0064(5) 0.0114(5) 0.0111(5)
O5 0.0380(8) 0.0172(6) 0.0353(7) 0.0031(5) 0.0217(6) 0.0029(5)
C1 0.0371(11) 0.0296(10) 0.0422(11) 0.0156(9) 0.0299(10) 0.0119(9)
C2 0.0375(11) 0.0251(9) 0.0276(10) 0.0090(8) 0.0174(9) 0.0143(8)
C3 0.0487(13) 0.0261(10) 0.0229(9) 0.0075(8) 0.0177(9) 0.0108(9)
C4 0.0228(10) 0.0326(10) 0.0307(10) 0.0054(8) 0.0112(8) 0.0075(8)
C5 0.0486(13) 0.0286(10) 0.0225(9) 0.0050(8) 0.0169(9) 0.0110(9)
C6 0.0284(10) 0.0266(9) 0.0240(9) 0.0071(7) 0.0124(8) 0.0095(8)
C7 0.0193(9) 0.0235(8) 0.0174(8) 0.0075(7) 0.0116(7) 0.0088(7)
C8 0.0201(9) 0.0289(9) 0.0204(9) 0.0029(7) 0.0113(8) 0.0026(7)
C9 0.0249(10) 0.0423(11) 0.0233(9) -0.0004(8) 0.0150(8) -0.0035(8)
C10 0.0184(9) 0.0277(9) 0.0215(9) 0.0026(7) 0.0111(8) -0.0004(7)
C11 0.0222(9) 0.0274(9) 0.0270(9) 0.0109(8) 0.0126(8) 0.0036(7)
C12 0.0273(10) 0.0179(9) 0.0317(10) 0.0027(7) 0.0148(8) 0.0006(7)
C13 0.0240(10) 0.0273(9) 0.0208(9) 0.0001(7) 0.0103(8) -0.0014(8)
C14 0.0165(9) 0.0255(9) 0.0261(9) 0.0088(7) 0.0102(8) 0.0029(7)
C15 0.0194(9) 0.0178(8) 0.0295(9) 0.0014(7) 0.0145(8) 0.0004(7)
C16 0.0225(10) 0.0356(11) 0.0339(10) 0.0185(9) 0.0118(9) 0.0053(8)
C17 0.0216(9) 0.0288(9) 0.0237(9) 0.0117(7) 0.0116(8) 0.0060(7)
C18 0.0295(10) 0.0231(9) 0.0343(10) 0.0117(8) 0.0156(9) 0.0077(8)
C19 0.0273(10) 0.0262(9) 0.0364(10) 0.0111(8) 0.0176(9) 0.0127(8)
C20 0.0226(9) 0.0265(9) 0.0286(9) 0.0077(7) 0.0159(8) 0.0066(7)
C21 0.0234(9) 0.0236(9) 0.0172(8) 0.0056(7) 0.0123(7) 0.0064(7)
C22 0.0222(9) 0.0257(9) 0.0167(8) 0.0079(7) 0.0114(7) 0.0093(7)
C23 0.0238(9) 0.0227(9) 0.0205(8) 0.0075(7) 0.0129(8) 0.0077(7)
C24 0.0227(9) 0.0171(8) 0.0240(9) 0.0091(7) 0.0148(8) 0.0077(7)
C25 0.0311(10) 0.0235(9) 0.0275(9) 0.0095(7) 0.0212(8) 0.0103(8)
C26 0.0250(10) 0.0255(9) 0.0351(10) 0.0123(8) 0.0229(9) 0.0093(8)
C27 0.0193(9) 0.0217(9) 0.0302(9) 0.0105(7) 0.0147(8) 0.0060(7)
C28 0.0196(9) 0.0167(8) 0.0247(9) 0.0091(7) 0.0137(8) 0.0071(7)
C29 0.0187(9) 0.0182(8) 0.0252(9) 0.0102(7) 0.0152(8) 0.0089(7)
C30 0.0179(9) 0.0176(8) 0.0256(9) 0.0050(7) 0.0135(7) 0.0033(7)
C31 0.0165(9) 0.0183(8) 0.0188(8) 0.0003(6) 0.0092(7) 0.0034(7)
C32 0.0167(9) 0.0242(9) 0.0246(9) 0.0011(7) 0.0125(8) 0.0014(7)
C33 0.0144(9) 0.0301(9) 0.0235(9) 0.0017(7) 0.0083(7) 0.0063(7)
C34 0.0215(9) 0.0250(9) 0.0193(8) 0.0057(7) 0.0090(7) 0.0093(7)
C35 0.0184(9) 0.0195(8) 0.0179(8) 0.0007(6) 0.0109(7) 0.0047(7)
C36 0.0117(8) 0.0195(8) 0.0182(8) 0.0003(6) 0.0081(7) 0.0044(6)
C37 0.0195(9) 0.0203(8) 0.0190(8) 0.0058(7) 0.0106(7) 0.0059(7)
C38 0.0190(9) 0.0189(8) 0.0171(8) 0.0078(7) 0.0095(7) 0.0083(7)
C39 0.0168(9) 0.0236(9) 0.0225(9) 0.0075(7) 0.0111(7) 0.0070(7)
C40 0.0237(9) 0.0297(10) 0.0260(9) 0.0029(7) 0.0174(8) 0.0068(8)
C41 0.0261(10) 0.0307(10) 0.0237(9) -0.0026(8) 0.0141(8) 0.0021(8)
C51 0.0306(11) 0.0368(11) 0.0333(10) 0.0055(9) 0.0205(9) 0.0039(9)
C52 0.0616(16) 0.0418(12) 0.0486(13) 0.0183(10) 0.0382(13) 0.0190(11)
C53 0.0557(16) 0.0759(18) 0.0377(12) 0.0287(12) 0.0280(12) 0.0399(14)
C54 0.0316(12) 0.0745(17) 0.0290(11) 0.0109(11) 0.0133(10) 0.0131(11)
C55 0.0309(11) 0.0444(12) 0.0280(10) 0.0020(9) 0.0163(9) 0.0002(9)
C56 0.0337(11) 0.0365(11) 0.0245(9) 0.0067(8) 0.0183(9) 0.0095(9)
C57 0.0442(13) 0.0461(13) 0.0441(12) 0.0140(10) 0.0259(11) 0.0190(11)
C61 0.0290(10) 0.0334(10) 0.0255(9) 0.0083(8) 0.0170(8) 0.0086(8)
C62 0.0413(12) 0.0272(10) 0.0307(10) 0.0026(8) 0.0237(9) 0.0061(9)
C63 0.0404(12) 0.0258(10) 0.0378(11) 0.0116(8) 0.0250(10) 0.0110(9)
C64 0.0272(10) 0.0343(10) 0.0257(9) 0.0090(8) 0.0130(8) 0.0066(8)
C65 0.0202(9) 0.0263(9) 0.0282(9) 0.0013(7) 0.0135(8) 0.0020(7)
C66 0.0199(9) 0.0274(9) 0.0318(10) 0.0080(8) 0.0174(8) 0.0074(7)
C67 0.0401(12) 0.0325(11) 0.0448(12) 0.0135(9) 0.0229(10) 0.0145(9)

_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
Ge1 O2 1.8282(11) . ?
Ge1 O1 1.9802(11) . ?
Ge1 O1 2.0214(11) 2_666 ?
Si1 O3 1.6576(12) . ?
Si1 C1 1.849(2) . ?
Si1 C2 1.8563(18) . ?
Si1 C3 1.8572(19) . ?
Si2 O4 1.6588(12) . ?
Si2 C4 1.848(2) . ?
Si2 C5 1.8532(19) . ?
Si2 C6 1.8550(18) . ?
O1 C36 1.3909(19) 2_666 ?
O1 Ge1 2.0214(11) 2_666 ?
O2 C29 1.362(2) . ?
O3 C7 1.378(2) . ?
O4 C22 1.382(2) . ?
O5 C15 1.383(2) . ?
C7 C38 1.395(2) . ?
C7 C8 1.402(2) . ?
C8 C41 1.395(3) . ?
C8 C9 1.519(3) . ?
C9 C10 1.513(2) . ?
C10 C15 1.389(3) . ?
C10 C11 1.391(3) . ?
C11 C12 1.385(3) . ?
C12 C13 1.385(3) . ?
C13 C14 1.390(3) . ?
C14 C15 1.390(3) . ?
C14 C16 1.507(2) . ?
C16 C17 1.521(3) . ?
C17 C18 1.394(3) . ?
C17 C22 1.397(2) . ?
C18 C19 1.378(3) . ?
C19 C20 1.385(3) . ?
C20 C21 1.392(3) . ?
C21 C22 1.396(2) . ?
C21 C23 1.518(2) . ?
C23 C24 1.507(2) . ?
C24 C25 1.387(3) . ?
C24 C29 1.405(2) . ?
C25 C26 1.388(3) . ?
C26 C27 1.386(3) . ?
C27 C28 1.391(2) . ?
C28 C29 1.403(2) . ?
C28 C30 1.519(2) . ?
C30 C31 1.514(2) . ?
C31 C32 1.394(2) . ?
C31 C36 1.396(2) . ?
C32 C33 1.381(3) . ?
C33 C34 1.387(3) . ?
C34 C35 1.389(2) . ?
C35 C36 1.399(2) . ?
C35 C37 1.510(2) . ?
C36 O1 1.3909(19) 2_666 ?
C37 C38 1.522(2) . ?
C38 C39 1.394(2) . ?
C39 C40 1.384(2) . ?
C40 C41 1.379(3) . ?
C51 C52 1.382(3) . ?
C51 C56 1.386(3) . ?
C52 C53 1.370(4) . ?
C53 C54 1.386(4) . ?
C54 C55 1.370(3) . ?
C55 C56 1.392(3) . ?
C56 C57 1.492(3) . ?
C61 C62 1.385(3) . ?
C61 C66 1.391(3) . ?
C62 C63 1.378(3) . ?
C63 C64 1.383(3) . ?
C64 C65 1.386(3) . ?
C65 C66 1.392(3) . ?
C66 C67 1.502(3) . ?

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 Ge1 O1 87.49(5) . . ?
O2 Ge1 O1 93.17(5) . 2_666 ?
O1 Ge1 O1 73.61(5) . 2_666 ?
O3 Si1 C1 107.08(8) . . ?
O3 Si1 C2 110.25(8) . . ?
C1 Si1 C2 111.78(9) . . ?
O3 Si1 C3 108.32(8) . . ?
C1 Si1 C3 108.59(10) . . ?
C2 Si1 C3 110.68(9) . . ?
O4 Si2 C4 106.51(8) . . ?
O4 Si2 C5 109.67(8) . . ?
C4 Si2 C5 112.19(10) . . ?
O4 Si2 C6 108.19(7) . . ?
C4 Si2 C6 108.51(9) . . ?
C5 Si2 C6 111.57(9) . . ?
C36 O1 Ge1 125.09(9) 2_666 . ?
C36 O1 Ge1 126.82(10) 2_666 2_666 ?
Ge1 O1 Ge1 106.39(5) . 2_666 ?
C29 O2 Ge1 127.77(10) . . ?
C7 O3 Si1 131.71(10) . . ?
C22 O4 Si2 131.31(11) . . ?
O3 C7 C38 119.20(15) . . ?
O3 C7 C8 119.43(15) . . ?
C38 C7 C8 121.21(16) . . ?
C41 C8 C7 118.24(16) . . ?
C41 C8 C9 120.66(16) . . ?
C7 C8 C9 121.05(16) . . ?
C10 C9 C8 111.63(15) . . ?
C15 C10 C11 117.85(16) . . ?
C15 C10 C9 119.64(16) . . ?
C11 C10 C9 122.25(17) . . ?
C12 C11 C10 121.04(17) . . ?
C11 C12 C13 119.84(16) . . ?
C12 C13 C14 120.57(17) . . ?
C15 C14 C13 118.37(16) . . ?
C15 C14 C16 118.93(16) . . ?
C13 C14 C16 122.39(17) . . ?
O5 C15 C14 119.62(16) . . ?
O5 C15 C10 118.16(16) . . ?
C14 C15 C10 122.20(16) . . ?
C14 C16 C17 110.91(15) . . ?
C18 C17 C22 117.99(17) . . ?
C18 C17 C16 119.73(16) . . ?
C22 C17 C16 122.27(16) . . ?
C19 C18 C17 121.36(17) . . ?
C18 C19 C20 119.65(17) . . ?
C19 C20 C21 121.01(17) . . ?
C20 C21 C22 118.32(16) . . ?
C20 C21 C23 120.93(16) . . ?
C22 C21 C23 120.72(15) . . ?
O4 C22 C21 118.96(15) . . ?
O4 C22 C17 119.23(15) . . ?
C21 C22 C17 121.63(16) . . ?
C24 C23 C21 114.87(14) . . ?
C25 C24 C29 118.41(16) . . ?
C25 C24 C23 121.98(16) . . ?
C29 C24 C23 119.56(15) . . ?
C24 C25 C26 121.02(17) . . ?
C27 C26 C25 119.81(17) . . ?
C26 C27 C28 121.17(17) . . ?
C27 C28 C29 118.16(16) . . ?
C27 C28 C30 120.94(15) . . ?
C29 C28 C30 120.86(15) . . ?
O2 C29 C28 119.18(15) . . ?
O2 C29 C24 119.22(15) . . ?
C28 C29 C24 121.38(15) . . ?
C31 C30 C28 113.13(13) . . ?
C32 C31 C36 117.32(15) . . ?
C32 C31 C30 120.17(15) . . ?
C36 C31 C30 122.47(15) . . ?
C33 C32 C31 121.40(16) . . ?
C32 C33 C34 119.89(16) . . ?
C33 C34 C35 121.01(16) . . ?
C34 C35 C36 117.74(16) . . ?
C34 C35 C37 121.38(15) . . ?
C36 C35 C37 120.78(15) . . ?
O1 C36 C31 119.18(14) 2_666 . ?
O1 C36 C35 118.19(14) 2_666 . ?
C31 C36 C35 122.63(15) . . ?
C35 C37 C38 112.67(14) . . ?
C39 C38 C7 118.41(15) . . ?
C39 C38 C37 120.86(15) . . ?
C7 C38 C37 120.73(15) . . ?
C40 C39 C38 121.24(16) . . ?
C41 C40 C39 119.53(17) . . ?
C40 C41 C8 121.30(17) . . ?
C52 C51 C56 120.6(2) . . ?
C53 C52 C51 120.9(2) . . ?
C52 C53 C54 118.8(2) . . ?
C55 C54 C53 120.8(2) . . ?
C54 C55 C56 120.8(2) . . ?
C51 C56 C55 118.13(19) . . ?
C51 C56 C57 121.10(19) . . ?
C55 C56 C57 120.76(19) . . ?
C62 C61 C66 120.72(18) . . ?
C63 C62 C61 120.43(18) . . ?
C62 C63 C64 119.69(18) . . ?
C63 C64 C65 119.91(18) . . ?
C64 C65 C66 121.07(17) . . ?
C61 C66 C65 118.18(17) . . ?
C61 C66 C67 121.01(17) . . ?
C65 C66 C67 120.80(17) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        65.00
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.044