#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:49:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179865 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/61/7016142.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7016142
loop_
_publ_author_name
'Schrick, Aaron C.'
'Rheingold, Arnold L.'
'Weinert, Charles S.'
_publ_section_title
;
 A divalent germanium complex of calix[5]arene.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6629
_journal_page_last               6631
_journal_paper_doi               10.1039/c1dt10347d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C110 H120 Ge2 O10 Si4'
_chemical_formula_weight         1859.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.451(5)
_cell_angle_beta                 117.150(3)
_cell_angle_gamma                99.266(5)
_cell_formula_units_Z            1
_cell_length_a                   13.6884(9)
_cell_length_b                   14.1898(18)
_cell_length_c                   14.3933(10)
_cell_measurement_reflns_used    7367
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      65.11
_cell_measurement_theta_min      3.23
_cell_volume                     2399.6(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27572
_diffrn_reflns_theta_full        65.00
_diffrn_reflns_theta_max         65.16
_diffrn_reflns_theta_min         3.74
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_T_max  0.8468
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         7961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+1.2000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0736
_reflns_number_gt                7406
_reflns_number_total             7961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10347d.txt
_cod_data_source_block           wein96
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016142
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_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'
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) . . ?
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) . ?
