#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/20/4312084.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_4312084
loop_
_publ_author_name
'Amy C. Gottfried'
'Jia Wang'
'Erin E. Wilson'
'Larry W. Beck'
'Mark M. Banaszak Holl'
'Jeff W. Kampf'
_publ_section_title
;
 Synthesis of a Digermane-Containing Tricylic Nonadecadienedione
 Incorporating an Equivalent of Ring-Opened THF
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7665
_journal_page_last               7670
_journal_paper_doi               10.1021/ic0491027
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C44 H90 Ge2 N10 O5 Si8'
_chemical_formula_sum            'C44 H90 Ge2 N10 O5 Si8'
_chemical_formula_weight         1209.16
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.416(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.496(3)
_cell_length_b                   28.227(7)
_cell_length_c                   19.713(5)
_cell_measurement_reflns_used    7118
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.30
_cell_volume                     6378(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            83696
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  0.8388
_exptl_absorpt_correction_T_min  0.7120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995) A51 33-38'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         15887
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0301
_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)+(0.0323P)²+3.1102P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                12776
_reflns_number_total             15887
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0491027si20040708_093158.cif
_cod_data_source_block           ag263
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4312084
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'
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 0.301189(15) 0.086380(6) 0.777402(9) 0.01635(4) Uani 1 1 d . . .
Ge2 Ge 0.536974(15) 0.252721(6) 0.641037(9) 0.01639(4) Uani 1 1 d . . .
Si1 Si 0.52788(5) 0.07028(2) 0.86919(3) 0.02860(12) Uani 1 1 d . . .
Si2 Si 0.42251(5) -0.012597(18) 0.78759(3) 0.03008(12) Uani 1 1 d . . .
Si3 Si 0.04819(4) 0.125419(17) 0.76900(3) 0.02179(10) Uani 1 1 d . . .
Si4 Si 0.11017(5) 0.044333(17) 0.86565(3) 0.02478(11) Uani 1 1 d . . .
Si5 Si 0.33480(4) 0.322440(17) 0.61376(3) 0.02334(11) Uani 1 1 d . . .
Si6 Si 0.35156(5) 0.234011(18) 0.52377(3) 0.02371(11) Uani 1 1 d . . .
Si7 Si 0.74575(5) 0.287076(18) 0.73892(3) 0.02460(11) Uani 1 1 d . . .
Si8 Si 0.72960(5) 0.317443(18) 0.59065(3) 0.02527(11) Uani 1 1 d . . .
O1 O 0.11999(11) 0.06017(5) 0.63676(7) 0.0309(3) Uani 1 1 d . . .
O2 O 0.48461(11) 0.04368(5) 0.55932(7) 0.0282(3) Uani 1 1 d . . .
O3 O 0.56889(11) 0.19741(4) 0.60704(6) 0.0224(3) Uani 1 1 d . . .
O4 O 0.48459(11) 0.24862(4) 0.72564(6) 0.0198(2) Uani 1 1 d . . .
O5 O 0.26289(12) 0.17667(5) 0.88009(6) 0.0284(3) Uani 1 1 d . . .
N1 N 0.40989(12) 0.04608(5) 0.81725(7) 0.0212(3) Uani 1 1 d . . .
N2 N 0.15358(12) 0.08436(5) 0.80379(7) 0.0186(3) Uani 1 1 d . . .
N3 N 0.41234(12) 0.27285(5) 0.58725(7) 0.0199(3) Uani 1 1 d . . .
N4 N 0.66851(12) 0.28771(5) 0.65841(7) 0.0199(3) Uani 1 1 d . . .
N5 N 0.30791(12) 0.07710(5) 0.68413(7) 0.0199(3) Uani 1 1 d . . .
N6 N 0.42200(12) 0.07185(5) 0.66227(7) 0.0214(3) Uani 1 1 d . . .
N7 N 0.28956(13) 0.04947(5) 0.58025(7) 0.0227(3) Uani 1 1 d . . .
N8 N 0.42264(12) 0.16982(5) 0.73700(7) 0.0182(3) Uani 1 1 d . . .
N9 N 0.35567(12) 0.14875(5) 0.78674(7) 0.0188(3) Uani 1 1 d . . .
N10 N 0.36827(13) 0.22445(5) 0.81017(7) 0.0197(3) Uani 1 1 d . . .
C1 C 0.6104(2) 0.02344(9) 0.91946(13) 0.0462(6) Uani 1 1 d . . .
H1A H 0.5594 0.0088 0.9512 0.069 Uiso 1 1 calc R . .
H1B H 0.6780 0.0377 0.9451 0.069 Uiso 1 1 calc R . .
H1C H 0.6370 -0.0007 0.8885 0.069 Uiso 1 1 calc R . .
C2 C 0.4797(2) 0.11207(10) 0.93430(12) 0.0514(6) Uani 1 1 d . . .
H2A H 0.3981 0.1209 0.9228 0.077 Uiso 1 1 calc R . .
H2B H 0.5286 0.1405 0.9354 0.077 Uiso 1 1 calc R . .
H2C H 0.4868 0.0968 0.9791 0.077 Uiso 1 1 calc R . .
C3 C 0.63246(18) 0.09982(9) 0.81549(13) 0.0453(6) Uani 1 1 d . . .
H3A H 0.6648 0.0764 0.7854 0.068 Uiso 1 1 calc R . .
H3B H 0.6958 0.1141 0.8447 0.068 Uiso 1 1 calc R . .
H3C H 0.5919 0.1246 0.7880 0.068 Uiso 1 1 calc R . .
C4 C 0.5651(2) -0.02321(8) 0.75066(13) 0.0474(6) Uani 1 1 d . . .
H4A H 0.5736 -0.0010 0.7132 0.071 Uiso 1 1 calc R . .
H4B H 0.5675 -0.0558 0.7336 0.071 Uiso 1 1 calc R . .
H4C H 0.6289 -0.0184 0.7859 0.071 Uiso 1 1 calc R . .
C5 C 0.3091(2) -0.02904(7) 0.71882(12) 0.0411(5) Uani 1 1 d . . .
H5A H 0.2365 -0.0120 0.7256 0.062 Uiso 1 1 calc R . .
H5B H 0.2949 -0.0633 0.7202 0.062 Uiso 1 1 calc R . .
H5C H 0.3362 -0.0205 0.6745 0.062 Uiso 1 1 calc R . .
C6 C 0.4073(2) -0.05604(7) 0.85783(12) 0.0425(5) Uani 1 1 d . . .
H6A H 0.4695 -0.0508 0.8939 0.064 Uiso 1 1 calc R . .
H6B H 0.4131 -0.0883 0.8401 0.064 Uiso 1 1 calc R . .
H6C H 0.3313 -0.0518 0.8764 0.064 Uiso 1 1 calc R . .
C7 C 0.10698(18) 0.16472(7) 0.70384(10) 0.0308(4) Uani 1 1 d . . .
H7A H 0.1591 0.1883 0.7264 0.046 Uiso 1 1 calc R . .
H7B H 0.0423 0.1808 0.6780 0.046 Uiso 1 1 calc R . .
H7C H 0.1505 0.1457 0.6728 0.046 Uiso 1 1 calc R . .
C8 C -0.00406(18) 0.16621(7) 0.83471(10) 0.0299(4) Uani 1 1 d . . .
H8A H -0.0751 0.1533 0.8520 0.045 Uiso 1 1 calc R . .
H8B H -0.0209 0.1974 0.8143 0.045 Uiso 1 1 calc R . .
H8C H 0.0564 0.1694 0.8722 0.045 Uiso 1 1 calc R . .
C9 C -0.08029(17) 0.09367(8) 0.72749(10) 0.0325(4) Uani 1 1 d . . .
H9A H -0.0608 0.0814 0.6832 0.049 Uiso 1 1 calc R . .
H9B H -0.1463 0.1156 0.7210 0.049 Uiso 1 1 calc R . .
H9C H -0.1014 0.0673 0.7564 0.049 Uiso 1 1 calc R . .
C10 C 0.0743(2) -0.01470(8) 0.82788(15) 0.0525(7) Uani 1 1 d . . .
H10A H 0.0212 -0.0108 0.7869 0.079 Uiso 1 1 calc R . .
H10B H 0.0367 -0.0342 0.8610 0.079 Uiso 1 1 calc R . .
H10C H 0.1461 -0.0302 0.8158 0.079 Uiso 1 1 calc R . .
C11 C -0.02529(18) 0.06384(8) 0.90443(11) 0.0343(5) Uani 1 1 d . . .
H11A H -0.0097 0.0933 0.9299 0.051 Uiso 1 1 calc R . .
H11B H -0.0498 0.0392 0.9353 0.051 Uiso 1 1 calc R . .
H11C H -0.0874 0.0693 0.8684 0.051 Uiso 1 1 calc R . .
C12 C 0.2198(2) 0.03836(9) 0.93912(11) 0.0444(6) Uani 1 1 d . . .
H12A H 0.2921 0.0252 0.9237 0.067 Uiso 1 1 calc R . .
H12B H 0.1896 0.0171 0.9730 0.067 Uiso 1 1 calc R . .
H12C H 0.2356 0.0696 0.9596 0.067 Uiso 1 1 calc R . .
C13 C 0.19682(19) 0.30274(8) 0.64916(12) 0.0382(5) Uani 1 1 d . . .
H13A H 0.1449 0.2888 0.6128 0.057 Uiso 1 1 calc R . .
H13B H 0.1584 0.3300 0.6685 0.057 Uiso 1 1 calc R . .
H13C H 0.2147 0.2790 0.6848 0.057 Uiso 1 1 calc R . .
C14 C 0.3025(2) 0.36518(7) 0.54233(11) 0.0373(5) Uani 1 1 d . . .
H14A H 0.3483 0.3567 0.5042 0.056 Uiso 1 1 calc R . .
H14B H 0.3230 0.3973 0.5578 0.056 Uiso 1 1 calc R . .
H14C H 0.2192 0.3639 0.5275 0.056 Uiso 1 1 calc R . .
C15 C 0.42105(19) 0.35498(7) 0.68224(10) 0.0330(4) Uani 1 1 d . . .
H15A H 0.4371 0.3340 0.7215 0.050 Uiso 1 1 calc R . .
H15B H 0.3767 0.3826 0.6959 0.050 Uiso 1 1 calc R . .
H15C H 0.4949 0.3655 0.6655 0.050 Uiso 1 1 calc R . .
C16 C 0.2202(2) 0.26124(9) 0.47756(11) 0.0413(5) Uani 1 1 d . . .
H16A H 0.1653 0.2712 0.5104 0.062 Uiso 1 1 calc R . .
H16B H 0.1825 0.2380 0.4462 0.062 Uiso 1 1 calc R . .
H16C H 0.2438 0.2888 0.4518 0.062 Uiso 1 1 calc R . .
C17 C 0.45392(19) 0.22103(7) 0.45724(10) 0.0324(4) Uani 1 1 d . . .
H17A H 0.4650 0.2497 0.4304 0.049 Uiso 1 1 calc R . .
H17B H 0.4214 0.1958 0.4273 0.049 Uiso 1 1 calc R . .
H17C H 0.5292 0.2108 0.4791 0.049 Uiso 1 1 calc R . .
C18 C 0.29960(19) 0.17830(7) 0.56184(10) 0.0325(4) Uani 1 1 d . . .
H18A H 0.3633 0.1640 0.5908 0.049 Uiso 1 1 calc R . .
H18B H 0.2739 0.1561 0.5255 0.049 Uiso 1 1 calc R . .
H18C H 0.2342 0.1854 0.5893 0.049 Uiso 1 1 calc R . .
C19 C 0.90691(18) 0.28773(9) 0.73102(12) 0.0419(5) Uani 1 1 d . . .
H19A H 0.9298 0.2589 0.7078 0.063 Uiso 1 1 calc R . .
H19B H 0.9479 0.2891 0.7765 0.063 Uiso 1 1 calc R . .
H19C H 0.9275 0.3155 0.7047 0.063 Uiso 1 1 calc R . .
C20 C 0.7097(2) 0.34046(8) 0.78879(11) 0.0410(5) Uani 1 1 d . . .
H20A H 0.7341 0.3690 0.7654 0.062 Uiso 1 1 calc R . .
H20B H 0.7507 0.3388 0.8342 0.062 Uiso 1 1 calc R . .
H20C H 0.6254 0.3416 0.7930 0.062 Uiso 1 1 calc R . .
C21 C 0.72239(17) 0.23258(7) 0.78955(10) 0.0297(4) Uani 1 1 d . . .
H21A H 0.6454 0.2340 0.8077 0.045 Uiso 1 1 calc R . .
H21B H 0.7829 0.2305 0.8273 0.045 Uiso 1 1 calc R . .
H21C H 0.7266 0.2047 0.7603 0.045 Uiso 1 1 calc R . .
C22 C 0.62018(19) 0.33001(8) 0.51987(10) 0.0376(5) Uani 1 1 d . . .
H22A H 0.5854 0.3002 0.5027 0.056 Uiso 1 1 calc R . .
H22B H 0.6577 0.3460 0.4832 0.056 Uiso 1 1 calc R . .
H22C H 0.5591 0.3505 0.5359 0.056 Uiso 1 1 calc R . .
C23 C 0.8466(2) 0.28141(9) 0.55554(13) 0.0485(6) Uani 1 1 d . . .
H23A H 0.9105 0.2768 0.5907 0.073 Uiso 1 1 calc R . .
H23B H 0.8759 0.2979 0.5166 0.073 Uiso 1 1 calc R . .
H23C H 0.8149 0.2505 0.5408 0.073 Uiso 1 1 calc R . .
C24 C 0.7860(2) 0.37677(8) 0.61936(12) 0.0484(6) Uani 1 1 d . . .
H24A H 0.7221 0.3957 0.6354 0.073 Uiso 1 1 calc R . .
H24B H 0.8188 0.3931 0.5813 0.073 Uiso 1 1 calc R . .
H24C H 0.8469 0.3727 0.6565 0.073 Uiso 1 1 calc R . .
C25 C 0.22545(16) 0.06215(6) 0.63517(9) 0.0221(4) Uani 1 1 d . . .
C26 C 0.24033(16) 0.03548(6) 0.51461(9) 0.0260(4) Uani 1 1 d . . .
C27 C 0.16111(17) -0.00130(7) 0.50941(11) 0.0323(4) Uani 1 1 d . . .
H27 H 0.1422 -0.0179 0.5490 0.039 Uiso 1 1 calc R . .
C28 C 0.10946(19) -0.01379(9) 0.44631(13) 0.0460(6) Uani 1 1 d . . .
H28 H 0.0547 -0.0390 0.4423 0.055 Uiso 1 1 calc R . .
C29 C 0.1377(2) 0.01049(10) 0.38931(13) 0.0532(7) Uani 1 1 d . . .
H29 H 0.1010 0.0024 0.3460 0.064 Uiso 1 1 calc R . .
C30 C 0.2186(3) 0.04643(9) 0.39458(12) 0.0532(7) Uani 1 1 d . . .
H30 H 0.2387 0.0626 0.3548 0.064 Uiso 1 1 calc R . .
C31 C 0.2712(2) 0.05928(7) 0.45778(11) 0.0410(5) Uani 1 1 d . . .
H31 H 0.3274 0.0840 0.4616 0.049 Uiso 1 1 calc R . .
C32 C 0.40467(15) 0.05588(6) 0.60131(9) 0.0218(4) Uani 1 1 d . . .
C33 C 0.59914(16) 0.06450(7) 0.57542(10) 0.0269(4) Uani 1 1 d . . .
H33A H 0.6605 0.0420 0.5635 0.032 Uiso 1 1 calc R . .
H33B H 0.6104 0.0712 0.6248 0.032 Uiso 1 1 calc R . .
C34 C 0.60859(17) 0.10995(6) 0.53560(10) 0.0274(4) Uani 1 1 d . . .
H34A H 0.5332 0.1270 0.5345 0.033 Uiso 1 1 calc R . .
H34B H 0.6237 0.1021 0.4881 0.033 Uiso 1 1 calc R . .
C35 C 0.70510(17) 0.14254(7) 0.56552(10) 0.0274(4) Uani 1 1 d . . .
H35A H 0.7753 0.1234 0.5788 0.033 Uiso 1 1 calc R . .
H35B H 0.7258 0.1653 0.5302 0.033 Uiso 1 1 calc R . .
C36 C 0.67029(16) 0.16986(6) 0.62711(9) 0.0251(4) Uani 1 1 d . . .
H36A H 0.6531 0.1476 0.6638 0.030 Uiso 1 1 calc R . .
H36B H 0.7349 0.1909 0.6444 0.030 Uiso 1 1 calc R . .
C37 C 0.42741(14) 0.21391(6) 0.75377(8) 0.0172(3) Uani 1 1 d . . .
C38 C 0.32061(15) 0.18211(6) 0.83176(9) 0.0210(3) Uani 1 1 d . . .
C39 C 0.34967(16) 0.26984(6) 0.84002(9) 0.0227(4) Uani 1 1 d . . .
C40 C 0.23798(19) 0.28682(7) 0.84150(11) 0.0358(5) Uani 1 1 d . . .
H40 H 0.1734 0.2683 0.8240 0.043 Uiso 1 1 calc R . .
C41 C 0.2205(2) 0.33143(8) 0.86902(13) 0.0476(6) Uani 1 1 d . . .
H41 H 0.1434 0.3432 0.8709 0.057 Uiso 1 1 calc R . .
C42 C 0.3129(2) 0.35830(8) 0.89336(12) 0.0480(6) Uani 1 1 d . . .
H42 H 0.3003 0.3889 0.9114 0.058 Uiso 1 1 calc R . .
C43 C 0.4233(2) 0.34119(8) 0.89182(13) 0.0519(7) Uani 1 1 d . . .
H43 H 0.4876 0.3600 0.9088 0.062 Uiso 1 1 calc R . .
C44 C 0.4428(2) 0.29646(8) 0.86557(12) 0.0395(5) Uani 1 1 d . . .
H44 H 0.5199 0.2844 0.8653 0.047 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 0.0033 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'
N N 0.0061 0.0033 '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'
Ge Ge 0.1547 1.8001 '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
N2 Ge1 N1 118.84(6) . . ?
N2 Ge1 N5 112.90(6) . . ?
N1 Ge1 N5 104.96(6) . . ?
N2 Ge1 N9 108.33(6) . . ?
N1 Ge1 N9 109.36(7) . . ?
N5 Ge1 N9 100.95(6) . . ?
O3 Ge2 N3 103.66(6) . . ?
O3 Ge2 N4 111.18(6) . . ?
N3 Ge2 N4 123.41(7) . . ?
O3 Ge2 O4 112.85(5) . . ?
N3 Ge2 O4 104.73(6) . . ?
N4 Ge2 O4 101.02(6) . . ?
N1 Si1 C2 112.82(10) . . ?
N1 Si1 C3 110.10(10) . . ?
C2 Si1 C3 110.42(13) . . ?
N1 Si1 C1 111.62(10) . . ?
C2 Si1 C1 104.43(12) . . ?
C3 Si1 C1 107.19(11) . . ?
N1 Si2 C5 113.78(8) . . ?
N1 Si2 C6 110.82(9) . . ?
C5 Si2 C6 105.97(11) . . ?
N1 Si2 C4 112.11(10) . . ?
C5 Si2 C4 105.20(12) . . ?
C6 Si2 C4 108.58(10) . . ?
N2 Si3 C9 110.49(9) . . ?
N2 Si3 C7 112.45(8) . . ?
C9 Si3 C7 107.53(10) . . ?
N2 Si3 C8 112.40(8) . . ?
C9 Si3 C8 108.36(9) . . ?
C7 Si3 C8 105.32(9) . . ?
N2 Si4 C12 112.79(9) . . ?
N2 Si4 C10 111.32(10) . . ?
C12 Si4 C10 110.37(13) . . ?
N2 Si4 C11 112.53(8) . . ?
C12 Si4 C11 104.18(10) . . ?
C10 Si4 C11 105.17(11) . . ?
N3 Si5 C15 110.80(8) . . ?
N3 Si5 C13 109.79(9) . . ?
C15 Si5 C13 107.30(10) . . ?
N3 Si5 C14 111.43(9) . . ?
C15 Si5 C14 107.01(10) . . ?
C13 Si5 C14 110.40(10) . . ?
N3 Si6 C18 111.14(8) . . ?
N3 Si6 C17 112.55(9) . . ?
C18 Si6 C17 110.93(10) . . ?
N3 Si6 C16 110.54(9) . . ?
C18 Si6 C16 105.76(11) . . ?
C17 Si6 C16 105.56(10) . . ?
N4 Si7 C20 110.53(9) . . ?
N4 Si7 C21 114.08(8) . . ?
C20 Si7 C21 109.74(10) . . ?
N4 Si7 C19 111.06(9) . . ?
C20 Si7 C19 107.33(11) . . ?
C21 Si7 C19 103.71(10) . . ?
N4 Si8 C22 112.10(8) . . ?
N4 Si8 C23 111.21(9) . . ?
C22 Si8 C23 107.14(11) . . ?
N4 Si8 C24 110.22(9) . . ?
C22 Si8 C24 104.97(11) . . ?
C23 Si8 C24 111.00(13) . . ?
C32 O2 C33 114.66(14) . . ?
C36 O3 Ge2 124.71(11) . . ?
C37 O4 Ge2 129.82(10) . . ?
Si2 N1 Si1 118.30(8) . . ?
Si2 N1 Ge1 120.91(9) . . ?
Si1 N1 Ge1 118.50(8) . . ?
Si4 N2 Si3 117.67(8) . . ?
Si4 N2 Ge1 122.66(8) . . ?
Si3 N2 Ge1 119.63(8) . . ?
Si5 N3 Si6 121.47(8) . . ?
Si5 N3 Ge2 118.20(8) . . ?
Si6 N3 Ge2 118.22(8) . . ?
Si7 N4 Si8 118.97(8) . . ?
Si7 N4 Ge2 121.33(8) . . ?
Si8 N4 Ge2 119.27(8) . . ?
C25 N5 N6 111.12(14) . . ?
C25 N5 Ge1 131.35(12) . . ?
N6 N5 Ge1 115.05(11) . . ?
C32 N6 N5 103.91(14) . . ?
C32 N7 C25 106.60(14) . . ?
C32 N7 C26 128.20(15) . . ?
C25 N7 C26 125.11(15) . . ?
C37 N8 N9 103.98(13) . . ?
C38 N9 N8 111.08(13) . . ?
C38 N9 Ge1 126.48(11) . . ?
N8 N9 Ge1 121.32(10) . . ?
C37 N10 C38 106.91(13) . . ?
C37 N10 C39 128.47(14) . . ?
C38 N10 C39 124.49(14) . . ?
O1 C25 N5 129.40(16) . . ?
O1 C25 N7 126.32(16) . . ?
N5 C25 N7 104.28(15) . . ?
C31 C26 C27 121.15(19) . . ?
C31 C26 N7 119.58(18) . . ?
C27 C26 N7 119.27(18) . . ?
C26 C27 C28 119.6(2) . . ?
C29 C28 C27 119.7(2) . . ?
C30 C29 C28 120.4(2) . . ?
C29 C30 C31 120.3(2) . . ?
C26 C31 C30 118.7(2) . . ?
N6 C32 O2 127.51(17) . . ?
N6 C32 N7 114.01(15) . . ?
O2 C32 N7 118.42(15) . . ?
O2 C33 C34 109.24(15) . . ?
C33 C34 C35 112.98(16) . . ?
C36 C35 C34 112.78(15) . . ?
O3 C36 C35 108.31(15) . . ?
N8 C37 O4 128.31(15) . . ?
N8 C37 N10 113.66(14) . . ?
O4 C37 N10 117.97(14) . . ?
O5 C38 N9 128.74(16) . . ?
O5 C38 N10 126.89(16) . . ?
N9 C38 N10 104.37(14) . . ?
C44 C39 C40 120.39(18) . . ?
C44 C39 N10 120.24(17) . . ?
C40 C39 N10 119.36(17) . . ?
C39 C40 C41 119.2(2) . . ?
C42 C41 C40 120.6(2) . . ?
C43 C42 C41 119.9(2) . . ?
C42 C43 C44 120.6(2) . . ?
C39 C44 C43 119.4(2) . . ?
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 N2 1.8137(15) . ?
Ge1 N1 1.8226(14) . ?
Ge1 N5 1.8647(15) . ?
Ge1 N9 1.8730(14) . ?
Ge2 O3 1.7490(12) . ?
Ge2 N3 1.8073(15) . ?
Ge2 N4 1.8164(15) . ?
Ge2 O4 1.8200(12) . ?
Si1 N1 1.7723(16) . ?
Si1 C2 1.859(3) . ?
Si1 C3 1.859(2) . ?
Si1 C1 1.867(2) . ?
Si2 N1 1.7660(16) . ?
Si2 C5 1.866(2) . ?
Si2 C6 1.868(2) . ?
Si2 C4 1.868(2) . ?
Si3 N2 1.7758(15) . ?
Si3 C9 1.862(2) . ?
Si3 C7 1.863(2) . ?
Si3 C8 1.8665(19) . ?
Si4 N2 1.7625(15) . ?
Si4 C12 1.853(2) . ?
Si4 C10 1.859(2) . ?
Si4 C11 1.870(2) . ?
Si5 N3 1.7602(15) . ?
Si5 C15 1.855(2) . ?
Si5 C13 1.866(2) . ?
Si5 C14 1.870(2) . ?
Si6 N3 1.7667(15) . ?
Si6 C18 1.861(2) . ?
Si6 C17 1.865(2) . ?
Si6 C16 1.868(2) . ?
Si7 N4 1.7581(15) . ?
Si7 C20 1.863(2) . ?
Si7 C21 1.864(2) . ?
Si7 C19 1.871(2) . ?
Si8 N4 1.7682(15) . ?
Si8 C22 1.840(2) . ?
Si8 C23 1.861(2) . ?
Si8 C24 1.868(2) . ?
O1 C25 1.216(2) . ?
O2 C32 1.329(2) . ?
O2 C33 1.454(2) . ?
O3 C36 1.431(2) . ?
O4 C37 1.3249(19) . ?
O5 C38 1.212(2) . ?
N5 C25 1.366(2) . ?
N5 N6 1.420(2) . ?
N6 C32 1.284(2) . ?
N7 C32 1.368(2) . ?
N7 C25 1.402(2) . ?
N7 C26 1.428(2) . ?
N8 C37 1.288(2) . ?
N8 N9 1.4225(19) . ?
N9 C38 1.375(2) . ?
N10 C37 1.379(2) . ?
N10 C38 1.395(2) . ?
N10 C39 1.433(2) . ?
C26 C31 1.376(3) . ?
C26 C27 1.380(3) . ?
C27 C28 1.382(3) . ?
C28 C29 1.376(4) . ?
C29 C30 1.375(4) . ?
C30 C31 1.390(3) . ?
C33 C34 1.512(3) . ?
C34 C35 1.525(3) . ?
C35 C36 1.518(2) . ?
C39 C44 1.372(3) . ?
C39 C40 1.373(3) . ?
C40 C41 1.392(3) . ?
C41 C42 1.363(4) . ?
C42 C43 1.360(4) . ?
C43 C44 1.389(3) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30660907
