#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:03:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180001 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/95/7029563.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_7029563
loop_
_publ_author_name
'Zaitsev, Kirill V.'
'Churakov, Andrei V.'
'Poleshchuk, Oleg Kh'
'Oprunenko, Yuri F.'
'Zaitseva, Galina S.'
'Karlov, Sergey S.'
_publ_section_title
;
 New oligogermane with a five coordinate germanium atom: the preparation
 of 1-germylgermatrane.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6605
_journal_page_last               6609
_journal_paper_doi               10.1039/c3dt53523a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C15 H39 Ge2 N O3 Si3'
_chemical_formula_sum            'C15 H39 Ge2 N O3 Si3'
_chemical_formula_weight         510.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 102.683(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.3567(16)
_cell_length_b                   27.748(4)
_cell_length_c                   16.127(2)
_cell_measurement_reflns_used    3842
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      25.986
_cell_measurement_theta_min      2.352
_cell_volume                     4958.0(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEX II'
_diffrn_measurement_method       ω
_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  0.0726
_diffrn_reflns_av_sigmaI/netI    0.0803
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30945
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.582
_exptl_absorpt_correction_T_max  0.8817
_exptl_absorpt_correction_T_min  0.5113
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.321
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.00032(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9333
_refine_ls_number_restraints     204
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²+5.6708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                5871
_reflns_number_total             9333
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c3dt53523a.txt
_cod_data_source_block           z
_cod_original_cell_volume        4957.8(12)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7029563
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ge11 Ge 0.01011(5) 0.52569(2) 0.25619(4) 0.01807(17) Uani 1 1 d . . .
Ge12 Ge 0.22192(5) 0.52181(2) 0.25324(4) 0.01772(17) Uani 1 1 d . A .
Ge21 Ge 0.20220(8) 0.2500 0.41853(6) 0.0198(2) Uani 1 2 d S . .
Ge22 Ge -0.00989(8) 0.2500 0.42039(5) 0.0178(2) Uani 1 2 d S . .
Ge31 Ge 0.79062(7) 0.7500 0.03049(5) 0.0147(2) Uani 1 2 d S . .
Ge32 Ge 0.57905(7) 0.7500 0.03303(6) 0.0168(2) Uani 1 2 d S . .
Si11 Si 0.31020(15) 0.59220(7) 0.32319(12) 0.0278(5) Uani 1 1 d D . .
C13A C 0.2633(13) 0.5979(8) 0.4274(6) 0.039(3) Uani 0.50 1 d PDU A 5
H13A H 0.3121 0.6227 0.4621 0.059 Uiso 0.50 1 calc PR A 5
H13B H 0.2754 0.5670 0.4575 0.059 Uiso 0.50 1 calc PR A 5
H13C H 0.1779 0.6069 0.4170 0.059 Uiso 0.50 1 calc PR A 5
C14A C 0.2752(13) 0.6495(4) 0.2626(9) 0.039(3) Uani 0.50 1 d PDU A 5
H14A H 0.3181 0.6762 0.2960 0.058 Uiso 0.50 1 calc PR A 5
H14B H 0.1881 0.6555 0.2512 0.058 Uiso 0.50 1 calc PR A 5
H14C H 0.3011 0.6470 0.2087 0.058 Uiso 0.50 1 calc PR A 5
C15A C 0.4784(7) 0.5806(5) 0.3509(9) 0.033(2) Uani 0.50 1 d PDU A 5
H15A H 0.5206 0.6100 0.3748 0.050 Uiso 0.50 1 calc PR A 5
H15B H 0.5055 0.5713 0.2995 0.050 Uiso 0.50 1 calc PR A 5
H15C H 0.4962 0.5546 0.3928 0.050 Uiso 0.50 1 calc PR A 5
C13B C 0.3206(14) 0.5938(8) 0.4403(5) 0.039(3) Uani 0.50 1 d PD A 6
H13D H 0.3534 0.6250 0.4629 0.059 Uiso 0.50 1 calc PR A 6
H13E H 0.3738 0.5679 0.4676 0.059 Uiso 0.50 1 calc PR A 6
H13F H 0.2400 0.5894 0.4517 0.059 Uiso 0.50 1 calc PR A 6
C14B C 0.2073(11) 0.6430(4) 0.2732(10) 0.039(3) Uani 0.50 1 d PD A 6
H14D H 0.2349 0.6733 0.3021 0.058 Uiso 0.50 1 calc PR A 6
H14E H 0.1246 0.6362 0.2788 0.058 Uiso 0.50 1 calc PR A 6
H14F H 0.2090 0.6456 0.2129 0.058 Uiso 0.50 1 calc PR A 6
C15B C 0.4565(9) 0.6024(5) 0.2903(9) 0.033(2) Uani 0.50 1 d PD A 6
H15D H 0.4920 0.6329 0.3141 0.050 Uiso 0.50 1 calc PR A 6
H15E H 0.4419 0.6036 0.2282 0.050 Uiso 0.50 1 calc PR A 6
H15F H 0.5122 0.5759 0.3115 0.050 Uiso 0.50 1 calc PR A 6
Si12 Si 0.30130(15) 0.45162(7) 0.32785(13) 0.0309(5) Uani 1 1 d D . .
C23A C 0.236(2) 0.3948(7) 0.274(2) 0.037(4) Uani 0.50 1 d PDU A 7
H23A H 0.2528 0.3680 0.3144 0.056 Uiso 0.50 1 calc PR A 7
H23B H 0.2716 0.3883 0.2253 0.056 Uiso 0.50 1 calc PR A 7
H23C H 0.1481 0.3986 0.2546 0.056 Uiso 0.50 1 calc PR A 7
C24A C 0.2561(14) 0.4550(8) 0.4333(6) 0.036(3) Uani 0.50 1 d PDU A 7
H24A H 0.2936 0.4283 0.4696 0.054 Uiso 0.50 1 calc PR A 7
H24B H 0.1681 0.4526 0.4243 0.054 Uiso 0.50 1 calc PR A 7
H24C H 0.2831 0.4857 0.4610 0.054 Uiso 0.50 1 calc PR A 7
C25A C 0.4709(7) 0.4508(6) 0.3571(10) 0.038(3) Uani 0.50 1 d PDU A 7
H25A H 0.4983 0.4236 0.3952 0.058 Uiso 0.50 1 calc PR A 7
H25B H 0.5005 0.4810 0.3858 0.058 Uiso 0.50 1 calc PR A 7
H25C H 0.5024 0.4474 0.3055 0.058 Uiso 0.50 1 calc PR A 7
C23B C 0.211(2) 0.4005(7) 0.270(2) 0.037(4) Uani 0.50 1 d PD A 8
H23D H 0.2314 0.3706 0.3021 0.056 Uiso 0.50 1 calc PR A 8
H23E H 0.2286 0.3970 0.2135 0.056 Uiso 0.50 1 calc PR A 8
H23F H 0.1244 0.4072 0.2638 0.056 Uiso 0.50 1 calc PR A 8
C24B C 0.2970(15) 0.4556(8) 0.4429(5) 0.036(3) Uani 0.50 1 d PD A 8
H24D H 0.3129 0.4237 0.4692 0.054 Uiso 0.50 1 calc PR A 8
H24E H 0.2172 0.4668 0.4483 0.054 Uiso 0.50 1 calc PR A 8
H24F H 0.3587 0.4784 0.4715 0.054 Uiso 0.50 1 calc PR A 8
C25B C 0.4588(8) 0.4414(6) 0.3101(10) 0.038(3) Uani 0.50 1 d PD A 8
H25D H 0.4908 0.4110 0.3369 0.058 Uiso 0.50 1 calc PR A 8
H25E H 0.5113 0.4680 0.3352 0.058 Uiso 0.50 1 calc PR A 8
H25F H 0.4558 0.4398 0.2489 0.058 Uiso 0.50 1 calc PR A 8
Si13 Si 0.23129(16) 0.52206(8) 0.10796(12) 0.0359(5) Uani 1 1 d D . .
C33A C 0.1364(12) 0.5755(5) 0.0622(12) 0.043(3) Uani 0.50 1 d PDU A 8
H33A H 0.1279 0.5762 0.0004 0.065 Uiso 0.50 1 calc PR A 8
H33B H 0.1754 0.6053 0.0870 0.065 Uiso 0.50 1 calc PR A 8
H33C H 0.0563 0.5728 0.0753 0.065 Uiso 0.50 1 calc PR A 8
C34A C 0.1662(17) 0.4662(6) 0.0508(16) 0.033(3) Uani 0.50 1 d PDU A 8
H34A H 0.1356 0.4735 -0.0095 0.049 Uiso 0.50 1 calc PR A 8
H34B H 0.0999 0.4544 0.0753 0.049 Uiso 0.50 1 calc PR A 8
H34C H 0.2289 0.4414 0.0568 0.049 Uiso 0.50 1 calc PR A 8
C35A C 0.3837(8) 0.5378(5) 0.0904(9) 0.032(2) Uani 0.50 1 d PDU A 8
H35A H 0.3793 0.5415 0.0293 0.047 Uiso 0.50 1 calc PR A 8
H35B H 0.4408 0.5121 0.1130 0.047 Uiso 0.50 1 calc PR A 8
H35C H 0.4109 0.5681 0.1195 0.047 Uiso 0.50 1 calc PR A 8
C33B C 0.1862(14) 0.5806(4) 0.0556(11) 0.043(3) Uani 0.50 1 d PD A 9
H33D H 0.1992 0.5799 -0.0025 0.065 Uiso 0.50 1 calc PR A 9
H33E H 0.2348 0.6065 0.0877 0.065 Uiso 0.50 1 calc PR A 9
H33F H 0.1006 0.5865 0.0539 0.065 Uiso 0.50 1 calc PR A 9
C34B C 0.1363(17) 0.4709(6) 0.0549(16) 0.033(3) Uani 0.50 1 d PD A 9
H34D H 0.1285 0.4729 -0.0067 0.049 Uiso 0.50 1 calc PR A 9
H34E H 0.0561 0.4726 0.0680 0.049 Uiso 0.50 1 calc PR A 9
H34F H 0.1747 0.4402 0.0757 0.049 Uiso 0.50 1 calc PR A 9
C35B C 0.3910(8) 0.5040(5) 0.1043(9) 0.032(2) Uani 0.50 1 d PD A 9
H35D H 0.3969 0.4998 0.0450 0.047 Uiso 0.50 1 calc PR A 9
H35E H 0.4116 0.4737 0.1353 0.047 Uiso 0.50 1 calc PR A 9
H35F H 0.4471 0.5293 0.1306 0.047 Uiso 0.50 1 calc PR A 9
C11 C -0.0827(6) 0.5296(3) 0.4023(4) 0.0334(17) Uiso 1 1 d . . .
H11C H -0.0717 0.5438 0.4598 0.040 Uiso 0.50 1 calc PR B 2
H11D H -0.0916 0.4942 0.4069 0.040 Uiso 0.50 1 calc PR B 2
H11A H -0.0759 0.5170 0.4586 0.040 Uiso 0.50 1 d PR B 1
H11B H -0.0785 0.5641 0.4052 0.040 Uiso 0.50 1 d PR B 1
C12A C -0.2007(11) 0.5129(5) 0.3436(8) 0.026(3) Uiso 0.50 1 d P C 1
H12A H -0.2062 0.4773 0.3427 0.031 Uiso 0.50 1 calc PR C 1
H12B H -0.2712 0.5261 0.3628 0.031 Uiso 0.50 1 calc PR C 1
O11A O 0.0142(7) 0.5103(3) 0.3658(5) 0.023(2) Uiso 0.50 1 d P C 1
C12B C -0.1985(12) 0.5517(5) 0.3412(8) 0.033(3) Uiso 0.50 1 d P C 2
H12C H -0.2729 0.5419 0.3593 0.039 Uiso 0.50 1 calc PR C 2
H12D H -0.1941 0.5873 0.3404 0.039 Uiso 0.50 1 calc PR C 2
O11B O 0.0193(7) 0.5405(3) 0.3666(5) 0.023(2) Uiso 0.50 1 d P C 2
C21 C -0.1423(6) 0.6010(3) 0.1849(4) 0.0365(18) Uiso 1 1 d . . .
H21C H -0.1651 0.6229 0.1355 0.044 Uiso 0.50 1 calc PR C 2
H21D H -0.1237 0.6205 0.2375 0.044 Uiso 0.50 1 calc PR C 2
H21A H -0.1507 0.6351 0.1756 0.044 Uiso 0.50 1 d PR C 1
H21B H -0.1643 0.5845 0.1313 0.044 Uiso 0.50 1 d PR C 1
C22A C -0.2221(12) 0.5832(5) 0.2456(9) 0.032(3) Uiso 0.50 1 d P C 1
H22A H -0.2015 0.6006 0.3004 0.038 Uiso 0.50 1 calc PR C 1
H22B H -0.3086 0.5884 0.2198 0.038 Uiso 0.50 1 calc PR C 1
O12A O -0.0191(7) 0.5891(3) 0.2280(5) 0.0213(19) Uiso 0.50 1 d P C 1
C22B C -0.2452(11) 0.5641(5) 0.1872(8) 0.026(3) Uiso 0.50 1 d P C 2
H22C H -0.3182 0.5808 0.1966 0.031 Uiso 0.50 1 calc PR C 2
H22D H -0.2666 0.5459 0.1332 0.031 Uiso 0.50 1 calc PR C 2
O12B O -0.0383(7) 0.5707(3) 0.1774(5) 0.0201(18) Uiso 0.50 1 d P C 2
C31 C -0.1677(6) 0.4591(3) 0.1855(4) 0.0340(17) Uiso 1 1 d . . .
H31C H -0.1895 0.4246 0.1766 0.041 Uiso 0.50 1 calc PR C 2
H31D H -0.1855 0.4755 0.1297 0.041 Uiso 0.50 1 calc PR C 2
H31A H -0.1983 0.4383 0.1379 0.041 Uiso 0.50 1 d PR C 1
H31B H -0.1567 0.4405 0.2370 0.041 Uiso 0.50 1 d PR C 1
C32A C -0.2554(11) 0.5028(5) 0.1868(8) 0.028(3) Uiso 0.50 1 d P C 1
H32A H -0.2670 0.5214 0.1332 0.034 Uiso 0.50 1 calc PR C 1
H32B H -0.3350 0.4915 0.1944 0.034 Uiso 0.50 1 calc PR C 1
O13A O -0.0538(7) 0.4818(3) 0.1767(5) 0.0232(19) Uiso 0.50 1 d P C 1
C32B C -0.2411(11) 0.4830(5) 0.2472(8) 0.026(3) Uiso 0.50 1 d P C 2
H32C H -0.3287 0.4827 0.2217 0.031 Uiso 0.50 1 calc PR C 2
H32D H -0.2264 0.4658 0.3023 0.031 Uiso 0.50 1 calc PR C 2
O13B O -0.0411(7) 0.4641(3) 0.2259(5) 0.024(2) Uiso 0.50 1 d P C 2
N1 N -0.1962(4) 0.53176(17) 0.2583(3) 0.0179(11) Uani 1 1 d . C .
Si21 Si -0.0151(2) 0.2500 0.56637(15) 0.0222(6) Uani 1 2 d S . .
C53 C -0.1700(11) 0.2377(5) 0.5790(8) 0.038(4) Uani 0.50 1 d PU D -12
H53A H -0.1687 0.2314 0.6390 0.057 Uiso 0.50 1 calc PR D -12
H53B H -0.2022 0.2095 0.5449 0.057 Uiso 0.50 1 calc PR D -12
H53C H -0.2213 0.2657 0.5597 0.057 Uiso 0.50 1 calc PR D -12
C54 C 0.0341(13) 0.3089(6) 0.6145(10) 0.025(4) Uani 0.50 1 d PU D -12
H54A H 0.0362 0.3078 0.6756 0.038 Uiso 0.50 1 calc PR D -12
H54B H -0.0226 0.3339 0.5878 0.038 Uiso 0.50 1 calc PR D -12
H54C H 0.1149 0.3164 0.6058 0.038 Uiso 0.50 1 calc PR D -12
C55 C 0.0874(15) 0.1995(6) 0.6215(13) 0.035(5) Uani 0.50 1 d PU D -12
H55A H 0.0969 0.2024 0.6832 0.053 Uiso 0.50 1 calc PR D -12
H55B H 0.1667 0.2021 0.6071 0.053 Uiso 0.50 1 calc PR D -12
H55C H 0.0513 0.1683 0.6026 0.053 Uiso 0.50 1 calc PR D -12
Si22 Si -0.09053(15) 0.32126(7) 0.34938(11) 0.0262(4) Uani 1 1 d D . .
C43A C -0.0966(13) 0.3206(7) 0.2332(5) 0.035(3) Uani 0.50 1 d PDU D 10
H43A H -0.1328 0.3507 0.2077 0.052 Uiso 0.50 1 calc PR D 10
H43B H -0.1456 0.2932 0.2071 0.052 Uiso 0.50 1 calc PR D 10
H43C H -0.0147 0.3175 0.2236 0.052 Uiso 0.50 1 calc PR D 10
C44A C -0.0042(19) 0.3745(6) 0.4022(17) 0.029(3) Uani 0.50 1 d PDU D 10
H44A H -0.0324 0.4037 0.3698 0.043 Uiso 0.50 1 calc PR D 10
H44B H 0.0820 0.3699 0.4045 0.043 Uiso 0.50 1 calc PR D 10
H44C H -0.0171 0.3777 0.4601 0.043 Uiso 0.50 1 calc PR D 10
C45A C -0.2471(8) 0.3289(6) 0.3691(9) 0.032(3) Uani 0.50 1 d PDU D 10
H45A H -0.2867 0.3564 0.3361 0.048 Uiso 0.50 1 calc PR D 10
H45B H -0.2418 0.3348 0.4297 0.048 Uiso 0.50 1 calc PR D 10
H45C H -0.2942 0.2996 0.3517 0.048 Uiso 0.50 1 calc PR D 10
C43B C -0.0411(12) 0.3197(7) 0.2451(6) 0.035(3) Uani 0.50 1 d PD D 11
H43D H -0.0527 0.3515 0.2184 0.052 Uiso 0.50 1 calc PR D 11
H43E H -0.0894 0.2958 0.2074 0.052 Uiso 0.50 1 calc PR D 11
H43F H 0.0444 0.3108 0.2553 0.052 Uiso 0.50 1 calc PR D 11
C44B C -0.030(2) 0.3767(6) 0.4095(17) 0.029(3) Uani 0.50 1 d PD D 11
H44D H -0.0513 0.4050 0.3730 0.043 Uiso 0.50 1 calc PR D 11
H44E H 0.0581 0.3743 0.4275 0.043 Uiso 0.50 1 calc PR D 11
H44F H -0.0648 0.3799 0.4597 0.043 Uiso 0.50 1 calc PR D 11
C45B C -0.2591(7) 0.3200(6) 0.3239(9) 0.032(3) Uani 0.50 1 d PD D 11
H45D H -0.2901 0.3472 0.2866 0.048 Uiso 0.50 1 calc PR D 11
H45E H -0.2883 0.3225 0.3766 0.048 Uiso 0.50 1 calc PR D 11
H45F H -0.2874 0.2897 0.2950 0.048 Uiso 0.50 1 calc PR D 11
C51 C 0.2990(8) 0.2564(7) 0.2730(6) 0.025(3) Uiso 0.50 1 d P . -4
H51A H 0.2913 0.2742 0.2189 0.030 Uiso 0.50 1 calc PR . -4
H51B H 0.2985 0.2215 0.2602 0.030 Uiso 0.50 1 calc PR . -4
C52 C 0.4159(12) 0.2695(4) 0.3320(8) 0.032(3) Uiso 0.50 1 d P . -4
H52A H 0.4843 0.2557 0.3110 0.038 Uiso 0.50 1 calc PR . -4
H52B H 0.4252 0.3049 0.3349 0.038 Uiso 0.50 1 calc PR . -4
O21 O 0.1998(7) 0.2675(3) 0.3095(5) 0.022(2) Uiso 0.50 1 d P . -4
C41 C 0.369(2) 0.3196(8) 0.4957(14) 0.016(6) Uiso 0.50 1 d P . -4
H41A H 0.3964 0.3376 0.5495 0.019 Uiso 0.50 1 calc PR . -4
H41B H 0.3582 0.3431 0.4485 0.019 Uiso 0.50 1 calc PR . -4
C42 C 0.4660(12) 0.2845(5) 0.4862(9) 0.031(3) Uiso 0.50 1 d P . -4
H42A H 0.5352 0.3019 0.4724 0.037 Uiso 0.50 1 calc PR . -4
H42B H 0.4948 0.2668 0.5402 0.037 Uiso 0.50 1 calc PR . -4
O22 O 0.2601(8) 0.2979(3) 0.4957(6) 0.025(2) Uiso 0.50 1 d P . -4
C91 C 0.368(2) 0.1772(11) 0.4813(15) 0.035(9) Uiso 0.50 1 d P . -4
H91A H 0.3759 0.1418 0.4765 0.042 Uiso 0.50 1 calc PR . -4
H91B H 0.3924 0.1861 0.5421 0.042 Uiso 0.50 1 calc PR . -4
C92 C 0.4486(12) 0.2021(5) 0.4321(9) 0.029(3) Uiso 0.50 1 d P . -4
H92A H 0.5333 0.2005 0.4647 0.035 Uiso 0.50 1 calc PR . -4
H92B H 0.4438 0.1853 0.3773 0.035 Uiso 0.50 1 calc PR . -4
O23 O 0.2472(7) 0.1907(3) 0.4495(6) 0.022(2) Uiso 0.50 1 d P . -4
N2 N 0.4150(6) 0.2500 0.4169(5) 0.0256(18) Uani 1 2 d S . .
Si31 Si 0.49298(15) 0.67936(7) -0.03817(11) 0.0231(4) Uani 1 1 d D . .
C63A C 0.4755(13) 0.6812(6) -0.1549(5) 0.032(3) Uani 0.50 1 d PDU E 13
H63A H 0.4576 0.6487 -0.1782 0.049 Uiso 0.50 1 calc PR E 13
H63B H 0.5505 0.6928 -0.1685 0.049 Uiso 0.50 1 calc PR E 13
H63C H 0.4091 0.7029 -0.1797 0.049 Uiso 0.50 1 calc PR E 13
C64A C 0.5898(11) 0.6267(4) 0.0068(10) 0.036(3) Uani 0.50 1 d PDU E 13
H64A H 0.5521 0.5968 -0.0184 0.053 Uiso 0.50 1 calc PR E 13
H64B H 0.5983 0.6257 0.0686 0.053 Uiso 0.50 1 calc PR E 13
H64C H 0.6697 0.6301 -0.0062 0.053 Uiso 0.50 1 calc PR E 13
C65A C 0.3425(8) 0.6694(5) -0.0104(9) 0.033(2) Uani 0.50 1 d PDU E 13
H65A H 0.3071 0.6393 -0.0364 0.050 Uiso 0.50 1 calc PR E 13
H65B H 0.2886 0.6963 -0.0319 0.050 Uiso 0.50 1 calc PR E 13
H65C H 0.3534 0.6673 0.0515 0.050 Uiso 0.50 1 calc PR E 13
C63B C 0.5414(12) 0.6741(5) -0.1419(6) 0.032(3) Uani 0.50 1 d PD E 14
H63D H 0.5014 0.6464 -0.1736 0.049 Uiso 0.50 1 calc PR E 14
H63E H 0.6291 0.6698 -0.1309 0.049 Uiso 0.50 1 calc PR E 14
H63F H 0.5189 0.7035 -0.1753 0.049 Uiso 0.50 1 calc PR E 14
C64B C 0.5340(13) 0.6224(4) 0.0215(9) 0.036(3) Uani 0.50 1 d PD E 14
H64D H 0.4976 0.5951 -0.0135 0.053 Uiso 0.50 1 calc PR E 14
H64E H 0.5041 0.6233 0.0741 0.053 Uiso 0.50 1 calc PR E 14
H64F H 0.6220 0.6188 0.0355 0.053 Uiso 0.50 1 calc PR E 14
C65B C 0.3251(7) 0.6870(5) -0.0690(9) 0.033(2) Uani 0.50 1 d PD E 14
H65D H 0.2899 0.6605 -0.1065 0.050 Uiso 0.50 1 calc PR E 14
H65E H 0.3058 0.7177 -0.0989 0.050 Uiso 0.50 1 calc PR E 14
H65F H 0.2919 0.6867 -0.0178 0.050 Uiso 0.50 1 calc PR E 14
Si32 Si 0.5590(2) 0.7500 0.17600(15) 0.0222(6) Uani 1 2 d SD . .
C73 C 0.4022(8) 0.7703(4) 0.1793(8) 0.032(3) Uani 0.50 1 d PDU E -15
H73A H 0.3886 0.7657 0.2367 0.048 Uiso 0.50 1 calc PR E -15
H73B H 0.3432 0.7514 0.1388 0.048 Uiso 1 2 calc SR E -15
H73C H 0.3929 0.8045 0.1641 0.048 Uiso 0.50 1 calc PR E -15
C74 C 0.5949(13) 0.6903(4) 0.2262(9) 0.033(4) Uani 0.50 1 d PDU E -15
H74A H 0.5847 0.6914 0.2850 0.049 Uiso 0.50 1 calc PR E -15
H74B H 0.6785 0.6818 0.2259 0.049 Uiso 0.50 1 calc PR E -15
H74C H 0.5403 0.6660 0.1944 0.049 Uiso 0.50 1 calc PR E -15
C75 C 0.6621(12) 0.7971(4) 0.2365(9) 0.031(4) Uani 0.50 1 d PDU E -15
H75A H 0.6436 0.8017 0.2925 0.046 Uiso 0.50 1 calc PR E -15
H75B H 0.6503 0.8276 0.2050 0.046 Uiso 0.50 1 calc PR E -15
H75C H 0.7461 0.7866 0.2434 0.046 Uiso 0.50 1 calc PR E -15
N3 N 0.9879(6) 0.7500 0.0218(4) 0.0193(17) Uani 1 2 d S . .
O31 O 0.8103(7) 0.8131(3) 0.0110(5) 0.024(2) Uiso 0.50 1 d P . -3
C61 C 0.9106(11) 0.8287(5) -0.0212(8) 0.028(3) Uiso 0.50 1 d P . -3
H61A H 0.9232 0.8638 -0.0117 0.034 Uiso 0.50 1 calc PR . -3
H61B H 0.8959 0.8224 -0.0831 0.034 Uiso 0.50 1 calc PR . -3
C62 C 1.0223(11) 0.8010(5) 0.0252(8) 0.027(3) Uiso 0.50 1 d P . -3
H62A H 1.0903 0.8061 -0.0031 0.032 Uiso 0.50 1 calc PR . -3
H62B H 1.0472 0.8119 0.0849 0.032 Uiso 0.50 1 calc PR . -3
O32 O 0.7842(7) 0.7081(3) -0.0567(5) 0.024(2) Uiso 0.50 1 d P . -3
C71 C 0.8912(11) 0.6870(5) -0.0739(8) 0.026(3) Uiso 0.50 1 d P . -3
H71A H 0.8759 0.6754 -0.1334 0.031 Uiso 0.50 1 calc PR . -3
H71B H 0.9169 0.6592 -0.0356 0.031 Uiso 0.50 1 calc PR . -3
C72 C 0.9894(11) 0.7257(4) -0.0591(7) 0.023(3) Uiso 0.50 1 d P . -3
H72A H 1.0693 0.7108 -0.0565 0.027 Uiso 0.50 1 calc PR . -3
H72B H 0.9738 0.7493 -0.1063 0.027 Uiso 1 2 calc SR . -3
O33 O 0.8573(7) 0.7283(3) 0.1356(5) 0.0223(19) Uiso 0.50 1 d P . -3
C81 C 0.9830(10) 0.7325(4) 0.1674(7) 0.026(3) Uiso 0.50 1 d P . -3
H81A H 1.0093 0.7095 0.2148 0.032 Uiso 0.50 1 calc PR . -3
H81B H 1.0027 0.7654 0.1895 0.032 Uiso 0.50 1 calc PR . -3
C82 C 1.0481(12) 0.7220(5) 0.0979(7) 0.029(3) Uiso 0.50 1 d P . -3
H82A H 1.1339 0.7316 0.1158 0.035 Uiso 0.50 1 calc PR . -3
H82B H 1.0446 0.6871 0.0848 0.035 Uiso 0.50 1 calc PR . -3
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
O12B Ge11 O11B 119.1(4) . .
O13A Ge11 O11A 117.1(4) . .
O13A Ge11 O12A 116.8(4) . .
O11B Ge11 O12A 89.7(4) . .
O11A Ge11 O12A 115.7(4) . .
O12B Ge11 O13B 115.7(4) . .
O11B Ge11 O13B 114.8(4) . .
O12B Ge11 N1 78.9(3) . .
O13A Ge11 N1 79.2(3) . .
O11B Ge11 N1 79.2(3) . .
O11A Ge11 N1 79.4(3) . .
O12A Ge11 N1 78.9(3) . .
O13B Ge11 N1 79.2(3) . .
O12B Ge11 Ge12 99.8(3) . .
O13A Ge11 Ge12 101.7(3) . .
O11B Ge11 Ge12 100.8(3) . .
O11A Ge11 Ge12 101.3(3) . .
O12A Ge11 Ge12 99.5(2) . .
O13B Ge11 Ge12 102.2(3) . .
N1 Ge11 Ge12 178.42(12) . .
Si12 Ge12 Si11 111.32(7) . .
Si12 Ge12 Si13 114.29(8) . .
Si11 Ge12 Si13 111.28(7) . .
Si12 Ge12 Ge11 107.26(5) . .
Si11 Ge12 Ge11 105.85(5) . .
Si13 Ge12 Ge11 106.27(5) . .
O23 Ge21 O21 117.8(4) . .
O23 Ge21 O22 116.3(5) . .
O21 Ge21 O22 112.8(4) . .
O23 Ge21 Ge22 103.0(3) 4_565 .
O23 Ge21 Ge22 103.0(3) . .
O21 Ge21 Ge22 102.0(2) 4_565 .
O21 Ge21 Ge22 102.0(2) . .
O22 Ge21 Ge22 101.6(3) . .
O22 Ge21 Ge22 101.6(3) 4_565 .
O23 Ge21 N2 77.0(3) 4_565 .
O23 Ge21 N2 77.0(3) . .
O21 Ge21 N2 78.1(3) 4_565 .
O21 Ge21 N2 78.1(3) . .
O22 Ge21 N2 78.3(3) . .
O22 Ge21 N2 78.3(3) 4_565 .
Ge22 Ge21 N2 179.91(18) . .
Si22 Ge22 Si22 113.36(9) 4_565 .
Si22 Ge22 Si21 112.93(6) 4_565 .
Si22 Ge22 Si21 112.93(6) . .
Si22 Ge22 Ge21 105.97(5) 4_565 .
Si22 Ge22 Ge21 105.97(5) . .
Si21 Ge22 Ge21 104.78(7) . .
O33 Ge31 O31 116.6(3) . .
O33 Ge31 O32 116.9(3) . .
O31 Ge31 O32 118.2(4) . .
O33 Ge31 N3 80.9(3) . .
O33 Ge31 N3 80.9(3) 4_575 .
O31 Ge31 N3 80.1(3) 4_575 .
O31 Ge31 N3 80.1(3) . .
O32 Ge31 N3 79.9(3) 4_575 .
O32 Ge31 N3 79.9(3) . .
O33 Ge31 Ge32 101.4(3) . .
O33 Ge31 Ge32 101.4(3) 4_575 .
O31 Ge31 Ge32 99.5(3) 4_575 .
O31 Ge31 Ge32 99.5(3) . .
O32 Ge31 Ge32 98.2(3) 4_575 .
O32 Ge31 Ge32 98.2(3) . .
N3 Ge31 Ge32 177.50(18) . .
Si32 Ge32 Si31 110.75(6) . 4_575
Si32 Ge32 Si31 110.75(6) . .
Si31 Ge32 Si31 111.51(9) 4_575 .
Si32 Ge32 Ge31 109.01(7) . .
Si31 Ge32 Ge31 107.34(5) 4_575 .
Si31 Ge32 Ge31 107.34(5) . .
C13B Si11 C15B 114.8(7) . .
C14A Si11 C13A 109.2(8) . .
C14A Si11 C15A 110.9(6) . .
C13A Si11 C15A 105.8(7) . .
C13B Si11 C14B 108.0(8) . .
C15B Si11 C14B 105.7(6) . .
C14A Si11 Ge12 115.8(5) . .
C13B Si11 Ge12 115.4(6) . .
C15B Si11 Ge12 107.4(4) . .
C13A Si11 Ge12 108.8(6) . .
C15A Si11 Ge12 105.8(4) . .
C14B Si11 Ge12 104.7(5) . .
Si11 C13A H13A 109.5 . .
Si11 C13A H13B 109.5 . .
Si11 C13A H13C 109.5 . .
Si11 C14A H14A 109.5 . .
Si11 C14A H14B 109.5 . .
Si11 C14A H14C 109.5 . .
Si11 C15A H15A 109.5 . .
Si11 C15A H15B 109.5 . .
Si11 C15A H15C 109.5 . .
Si11 C13B H13D 109.5 . .
Si11 C13B H13E 109.5 . .
Si11 C13B H13F 109.5 . .
Si11 C14B H14D 109.5 . .
Si11 C14B H14E 109.5 . .
Si11 C14B H14F 109.5 . .
Si11 C15B H15D 109.5 . .
Si11 C15B H15E 109.5 . .
Si11 C15B H15F 109.5 . .
C24B Si12 C23B 114.1(13) . .
C23A Si12 C25A 112.8(10) . .
C23A Si12 C24A 107.4(13) . .
C25A Si12 C24A 104.0(7) . .
C24B Si12 C25B 113.0(7) . .
C23B Si12 C25B 104.1(10) . .
C24B Si12 Ge12 111.5(7) . .
C23A Si12 Ge12 112.9(10) . .
C23B Si12 Ge12 105.3(10) . .
C25A Si12 Ge12 113.2(5) . .
C24A Si12 Ge12 105.7(7) . .
C25B Si12 Ge12 108.3(5) . .
Si12 C23A H23A 109.5 . .
Si12 C23A H23B 109.5 . .
Si12 C23A H23C 109.5 . .
Si12 C24A H24A 109.5 . .
Si12 C24A H24B 109.5 . .
Si12 C24A H24C 109.5 . .
Si12 C25A H25A 109.5 . .
Si12 C25A H25B 109.5 . .
Si12 C25A H25C 109.5 . .
Si12 C23B H23D 109.5 . .
Si12 C23B H23E 109.5 . .
Si12 C23B H23F 109.5 . .
Si12 C24B H24D 109.5 . .
Si12 C24B H24E 109.5 . .
Si12 C24B H24F 109.5 . .
Si12 C25B H25D 109.5 . .
Si12 C25B H25E 109.5 . .
Si12 C25B H25F 109.5 . .
C35A Si13 C34A 113.5(8) . .
C33B Si13 C34B 112.6(10) . .
C35A Si13 C33A 103.0(6) . .
C34A Si13 C33A 109.2(9) . .
C33B Si13 C35B 112.8(7) . .
C34B Si13 C35B 104.2(8) . .
C33B Si13 Ge12 112.7(6) . .
C35A Si13 Ge12 113.3(4) . .
C34A Si13 Ge12 112.7(9) . .
C34B Si13 Ge12 107.7(8) . .
C33A Si13 Ge12 104.1(6) . .
C35B Si13 Ge12 106.3(4) . .
Si13 C33A H33A 109.5 . .
Si13 C33A H33B 109.5 . .
Si13 C33A H33C 109.5 . .
Si13 C34A H34A 109.5 . .
Si13 C34A H34B 109.5 . .
Si13 C34A H34C 109.5 . .
Si13 C35A H35A 109.5 . .
Si13 C35A H35B 109.5 . .
Si13 C35A H35C 109.5 . .
Si13 C33B H33D 109.5 . .
Si13 C33B H33E 109.5 . .
Si13 C33B H33F 109.5 . .
Si13 C34B H34D 109.5 . .
Si13 C34B H34E 109.5 . .
Si13 C34B H34F 109.5 . .
Si13 C35B H35D 109.5 . .
Si13 C35B H35E 109.5 . .
Si13 C35B H35F 109.5 . .
O11A C11 C12A 106.0(7) . .
O11B C11 C12B 107.6(8) . .
O11B C11 H11C 110.2 . .
C12B C11 H11C 110.2 . .
O11B C11 H11D 110.2 . .
C12B C11 H11D 110.2 . .
H11C C11 H11D 108.5 . .
O11A C11 H11A 109.7 . .
C12A C11 H11A 110.6 . .
O11A C11 H11B 110.6 . .
C12A C11 H11B 111.0 . .
H11A C11 H11B 108.9 . .
N1 C12A C11 105.2(8) . .
N1 C12A H12A 110.7 . .
C11 C12A H12A 110.7 . .
N1 C12A H12B 110.7 . .
C11 C12A H12B 110.7 . .
H12A C12A H12B 108.8 . .
C11 O11A Ge11 116.6(6) . .
N1 C12B C11 104.2(9) . .
N1 C12B H12C 110.9 . .
C11 C12B H12C 110.9 . .
N1 C12B H12D 110.9 . .
C11 C12B H12D 110.9 . .
H12C C12B H12D 108.9 . .
C11 O11B Ge11 118.0(6) . .
O12A C21 C22A 105.0(7) . .
O12B C21 C22B 104.2(7) . .
O12B C21 H21C 110.9 . .
C22B C21 H21C 110.9 . .
O12B C21 H21D 110.9 . .
C22B C21 H21D 110.9 . .
H21C C21 H21D 108.9 . .
O12A C21 H21A 110.5 . .
C22A C21 H21A 111.1 . .
O12A C21 H21B 110.8 . .
C22A C21 H21B 110.1 . .
H21A C21 H21B 109.3 . .
N1 C22A C21 105.7(9) . .
N1 C22A H22A 110.6 . .
C21 C22A H22A 110.6 . .
N1 C22A H22B 110.6 . .
C21 C22A H22B 110.6 . .
H22A C22A H22B 108.7 . .
C21 O12A Ge11 116.1(6) . .
N1 C22B C21 105.2(8) . .
N1 C22B H22C 110.7 . .
C21 C22B H22C 110.7 . .
N1 C22B H22D 110.7 . .
C21 C22B H22D 110.7 . .
H21B C22B H22D 74.6 . .
H22C C22B H22D 108.8 . .
C21 O12B Ge11 118.0(6) . .
O13A C31 C32A 104.0(7) . .
O13B C31 C32B 106.5(7) . .
O13B C31 H31C 110.4 . .
C32B C31 H31C 110.4 . .
O13B C31 H31D 110.4 . .
C32B C31 H31D 110.4 . .
H31C C31 H31D 108.6 . .
O13A C31 H31A 110.5 . .
C32A C31 H31A 110.7 . .
O13A C31 H31B 111.2 . .
C32A C31 H31B 111.4 . .
H31A C31 H31B 109.0 . .
N1 C32A C31 104.7(8) . .
N1 C32A H32A 110.8 . .
C31 C32A H32A 110.8 . .
N1 C32A H32B 110.8 . .
C31 C32A H32B 110.8 . .
H32A C32A H32B 108.9 . .
C31 O13A Ge11 116.5(6) . .
N1 C32B C31 104.6(8) . .
N1 C32B H32C 110.8 . .
C31 C32B H32C 110.8 . .
N1 C32B H32D 110.8 . .
C31 C32B H32D 110.8 . .
H32C C32B H32D 108.9 . .
C31 O13B Ge11 115.7(6) . .
C32B N1 C12B 113.1(8) . .
C32A N1 C22A 112.8(8) . .
C32B N1 C22B 114.5(8) . .
C12B N1 C22B 114.0(8) . .
C32A N1 C12A 116.1(8) . .
C22A N1 C12A 115.3(8) . .
C32B N1 Ge11 104.9(6) . .
C32A N1 Ge11 103.8(6) . .
C12B N1 Ge11 105.0(6) . .
C22A N1 Ge11 103.8(6) . .
C22B N1 Ge11 103.9(6) . .
C12A N1 Ge11 103.0(5) . .
C54 Si21 C53 109.0(7) . .
C54 Si21 C55 110.9(7) . .
C53 Si21 C55 108.1(7) . .
C54 Si21 Ge22 110.3(6) . .
C53 Si21 Ge22 110.0(4) . .
C55 Si21 Ge22 108.5(6) . .
Si21 C53 H53A 109.5 . .
Si21 C53 H53B 109.5 . .
Si21 C53 H53C 109.5 . .
Si21 C54 H54A 109.5 . .
Si21 C54 H54B 109.5 . .
Si21 C54 H54C 109.5 . .
Si21 C55 H55A 109.5 . .
Si21 C55 H55B 109.5 . .
Si21 C55 H55C 109.5 . .
C44B Si22 C45B 111.9(9) . .
C43A Si22 C44A 111.5(11) . .
C43A Si22 C45A 110.0(6) . .
C44A Si22 C45A 104.7(9) . .
C44B Si22 C43B 109.5(10) . .
C45B Si22 C43B 107.1(6) . .
C43A Si22 Ge22 113.8(5) . .
C44B Si22 Ge22 112.2(9) . .
C45B Si22 Ge22 111.1(5) . .
C44A Si22 Ge22 109.3(9) . .
C45A Si22 Ge22 107.0(5) . .
C43B Si22 Ge22 104.6(5) . .
Si22 C43A H43A 109.5 . .
Si22 C43A H43B 109.5 . .
Si22 C43A H43C 109.5 . .
Si22 C44A H44A 109.5 . .
Si22 C44A H44B 109.5 . .
Si22 C44A H44C 109.5 . .
Si22 C45A H45A 109.5 . .
Si22 C45A H45B 109.5 . .
Si22 C45A H45C 109.5 . .
Si22 C43B H43D 109.5 . .
Si22 C43B H43E 109.5 . .
Si22 C43B H43F 109.5 . .
Si22 C44B H44D 109.5 . .
Si22 C44B H44E 109.5 . .
Si22 C44B H44F 109.5 . .
Si22 C45B H45D 109.5 . .
Si22 C45B H45E 109.5 . .
Si22 C45B H45F 109.5 . .
O21 C51 C52 111.0(9) . .
O21 C51 H51A 109.4 . .
C52 C51 H51A 109.4 . .
O21 C51 H51B 109.4 . .
C52 C51 H51B 109.4 . .
H51A C51 H51B 108.0 . .
N2 C52 C51 108.4(10) . .
N2 C52 H52A 110.0 . .
C51 C52 H52A 110.0 . .
N2 C52 H52B 110.0 . .
C51 C52 H52B 110.0 . .
H52A C52 H52B 108.4 . .
C51 O21 Ge21 119.9(7) . .
O22 C41 C42 113.2(17) . .
O22 C41 H41A 108.9 . .
C42 C41 H41A 108.9 . .
O22 C41 H41B 108.9 . .
C42 C41 H41B 108.9 . .
H41A C41 H41B 107.7 . .
N2 C42 C41 108.8(12) . .
N2 C42 H42A 109.9 . .
C41 C42 H42A 109.9 . .
N2 C42 H42B 109.9 . .
C41 C42 H42B 109.9 . .
H42A C42 H42B 108.3 . .
C41 O22 Ge21 120.2(12) . .
O23 C91 C92 110(2) . .
O23 C91 H91A 109.6 . .
C92 C91 H91A 109.6 . .
O23 C91 H91B 109.6 . .
C92 C91 H91B 109.6 . .
H91A C91 H91B 108.1 . .
N2 C92 C91 110.8(15) . .
N2 C92 H92A 109.5 . .
C91 C92 H92A 109.5 . .
N2 C92 H92B 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 108.1 . .
C91 O23 Ge21 123.5(14) . .
C92 N2 C52 117.2(9) . .
C92 N2 C42 115.8(10) . .
C52 N2 C42 112.4(8) . .
C92 N2 Ge21 103.5(6) . .
C52 N2 Ge21 102.7(6) . .
C42 N2 Ge21 102.5(6) . .
C64B Si31 C65B 111.0(6) . .
C63A Si31 C64A 109.7(7) . .
C64B Si31 C63B 107.9(7) . .
C65B Si31 C63B 104.6(6) . .
C63A Si31 C65A 110.3(6) . .
C64A Si31 C65A 106.2(6) . .
C63A Si31 Ge32 114.3(5) . .
C64B Si31 Ge32 115.0(5) . .
C65B Si31 Ge32 108.8(4) . .
C64A Si31 Ge32 108.2(5) . .
C63B Si31 Ge32 109.0(5) . .
C65A Si31 Ge32 107.8(4) . .
Si31 C63A H63A 109.5 . .
Si31 C63A H63B 109.5 . .
Si31 C63A H63C 109.5 . .
Si31 C64A H64A 109.5 . .
Si31 C64A H64B 109.5 . .
Si31 C64A H64C 109.5 . .
Si31 C65A H65A 109.5 . .
Si31 C65A H65B 109.5 . .
Si31 C65A H65C 109.5 . .
Si31 C63B H63D 109.5 . .
Si31 C63B H63E 109.5 . .
Si31 C63B H63F 109.5 . .
Si31 C64B H64D 109.5 . .
Si31 C64B H64E 109.5 . .
Si31 C64B H64F 109.5 . .
Si31 C65B H65D 109.5 . .
Si31 C65B H65E 109.5 . .
Si31 C65B H65F 109.5 . .
C74 Si32 C75 110.1(7) . .
C74 Si32 C73 112.0(6) . .
C75 Si32 C73 105.2(6) . .
C74 Si32 Ge32 111.6(5) . .
C75 Si32 Ge32 108.9(5) . .
C73 Si32 Ge32 108.8(4) . .
Si32 C73 H73A 109.5 . .
Si32 C73 H73B 109.5 . .
Si32 C73 H73C 109.5 . .
Si32 C74 H74A 109.5 . .
Si32 C74 H74B 109.5 . .
Si32 C74 H74C 109.5 . .
Si32 C75 H75A 109.5 . .
Si32 C75 H75B 109.5 . .
Si32 C75 H75C 109.5 . .
C62 N3 C72 114.9(8) . .
C62 N3 C82 113.8(8) . .
C72 N3 C82 113.6(7) . .
C62 N3 Ge31 104.8(6) . .
C72 N3 Ge31 104.9(6) . .
C82 N3 Ge31 103.3(6) . .
C61 O31 Ge31 120.0(8) . .
O31 C61 C62 108.3(10) . .
O31 C61 H61A 110.0 . .
C62 C61 H61A 110.0 . .
O31 C61 H61B 110.0 . .
C62 C61 H61B 110.0 . .
H61A C61 H61B 108.4 . .
N3 C62 C61 106.3(10) . .
N3 C62 H62A 110.5 . .
C61 C62 H62A 110.5 . .
N3 C62 H62B 110.5 . .
C61 C62 H62B 110.5 . .
H62A C62 H62B 108.7 . .
C71 O32 Ge31 121.5(7) . .
O32 C71 C72 107.6(10) . .
O32 C71 H71A 110.2 . .
C72 C71 H71A 110.2 . .
O32 C71 H71B 110.2 . .
C72 C71 H71B 110.2 . .
H71A C71 H71B 108.5 . .
N3 C72 C71 108.1(9) . .
N3 C72 H72A 110.1 . .
C71 C72 H72A 110.1 . .
N3 C72 H72B 110.1 . .
C71 C72 H72B 110.1 . .
H72A C72 H72B 108.4 . .
C81 O33 Ge31 119.8(7) . .
O33 C81 C82 109.7(9) . .
O33 C81 H81A 109.7 . .
C82 C81 H81A 109.7 . .
O33 C81 H81B 109.7 . .
C82 C81 H81B 109.7 . .
H81A C81 H81B 108.2 . .
N3 C82 C81 107.7(9) . .
N3 C82 H82A 110.2 . .
C81 C82 H82A 110.2 . .
N3 C82 H82B 110.2 . .
C81 C82 H82B 110.2 . .
H82A C82 H82B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge11 O12B 1.780(8) .
Ge11 O13A 1.800(8) .
Ge11 O11B 1.808(8) .
Ge11 O11A 1.809(8) .
Ge11 O12A 1.829(8) .
Ge11 O13B 1.837(8) .
Ge11 N1 2.357(5) .
Ge11 Ge12 2.4188(9) .
Ge12 Si12 2.362(2) .
Ge12 Si11 2.3655(19) .
Ge12 Si13 2.369(2) .
Ge21 O23 1.763(8) 4_565
Ge21 O23 1.763(8) .
Ge21 O21 1.819(7) 4_565
Ge21 O21 1.819(7) .
Ge21 O22 1.840(8) .
Ge21 O22 1.840(8) 4_565
Ge21 Ge22 2.4154(13) .
Ge21 N2 2.423(7) .
Ge22 Si22 2.3661(18) 4_565
Ge22 Si22 2.3662(18) .
Ge22 Si21 2.368(3) .
Ge31 O33 1.801(7) .
Ge31 O33 1.801(7) 4_575
Ge31 O31 1.801(8) 4_575
Ge31 O31 1.802(8) .
Ge31 O32 1.812(8) 4_575
Ge31 O32 1.812(8) .
Ge31 N3 2.275(7) .
Ge31 Ge32 2.4121(12) .
Ge32 Si32 2.366(3) .
Ge32 Si31 2.3713(18) 4_575
Ge32 Si31 2.3713(18) .
Si11 C14A 1.863(8) .
Si11 C13B 1.866(8) .
Si11 C15B 1.873(8) .
Si11 C13A 1.878(8) .
Si11 C15A 1.891(8) .
Si11 C14B 1.894(8) .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C13A H13C 0.9800 .
C14A H14A 0.9800 .
C14A H14B 0.9800 .
C14A H14C 0.9800 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C15A H15C 0.9800 .
C13B H13D 0.9800 .
C13B H13E 0.9800 .
C13B H13F 0.9800 .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
C15B H15D 0.9800 .
C15B H15E 0.9800 .
C15B H15F 0.9800 .
Si12 C24B 1.870(8) .
Si12 C23A 1.872(8) .
Si12 C23B 1.878(8) .
Si12 C25A 1.880(8) .
Si12 C24A 1.884(8) .
Si12 C25B 1.894(8) .
C23A H23A 0.9800 .
C23A H23B 0.9800 .
C23A H23C 0.9800 .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C25A H25A 0.9800 .
C25A H25B 0.9800 .
C25A H25C 0.9800 .
C23B H23D 0.9800 .
C23B H23E 0.9800 .
C23B H23F 0.9800 .
C24B H24D 0.9800 .
C24B H24E 0.9800 .
C24B H24F 0.9800 .
C25B H25D 0.9800 .
C25B H25E 0.9800 .
C25B H25F 0.9800 .
Si13 C33B 1.851(8) .
Si13 C35A 1.866(8) .
Si13 C34A 1.870(8) .
Si13 C34B 1.873(8) .
Si13 C33A 1.886(8) .
Si13 C35B 1.895(8) .
C33A H33A 0.9800 .
C33A H33B 0.9800 .
C33A H33C 0.9800 .
C34A H34A 0.9800 .
C34A H34B 0.9800 .
C34A H34C 0.9800 .
C35A H35A 0.9800 .
C35A H35B 0.9800 .
C35A H35C 0.9800 .
C33B H33D 0.9800 .
C33B H33E 0.9800 .
C33B H33F 0.9800 .
C34B H34D 0.9800 .
C34B H34E 0.9800 .
C34B H34F 0.9800 .
C35B H35D 0.9800 .
C35B H35E 0.9800 .
C35B H35F 0.9800 .
C11 O11B 1.434(10) .
C11 O11A 1.458(10) .
C11 C12A 1.533(13) .
C11 C12B 1.584(14) .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
C11 H11A 0.9601 .
C11 H11B 0.9597 .
C12A N1 1.484(13) .
C12A H12A 0.9900 .
C12A H12B 0.9900 .
C12B N1 1.452(14) .
C12B H12C 0.9900 .
C12B H12D 0.9900 .
C21 O12A 1.457(10) .
C21 O12B 1.476(10) .
C21 C22A 1.554(14) .
C21 C22B 1.560(14) .
C21 H21C 0.9900 .
C21 H21D 0.9900 .
C21 H21A 0.9597 .
C21 H21B 0.9601 .
C22A N1 1.462(14) .
C22A H22A 0.9900 .
C22A H22B 0.9900 .
C22B N1 1.465(13) .
C22B H22C 0.9900 .
C22B H22D 0.9900 .
C31 O13B 1.449(10) .
C31 O13A 1.475(10) .
C31 C32A 1.573(14) .
C31 C32B 1.578(14) .
C31 H31C 0.9900 .
C31 H31D 0.9900 .
C31 H31A 0.9602 .
C31 H31B 0.9605 .
C32A N1 1.444(13) .
C32A H32A 0.9900 .
C32A H32B 0.9900 .
C32B N1 1.443(13) .
C32B H32C 0.9900 .
C32B H32D 0.9900 .
Si21 C54 1.844(16) .
Si21 C54 1.844(16) 4_565
Si21 C53 1.846(13) 4_565
Si21 C53 1.846(13) .
Si21 C55 1.911(17) 4_565
Si21 C55 1.911(17) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
Si22 C43A 1.860(7) .
Si22 C44B 1.867(7) .
Si22 C45B 1.868(7) .
Si22 C44A 1.871(7) .
Si22 C45A 1.886(7) .
Si22 C43B 1.886(8) .
C43A H43A 0.9800 .
C43A H43B 0.9800 .
C43A H43C 0.9800 .
C44A H44A 0.9800 .
C44A H44B 0.9800 .
C44A H44C 0.9800 .
C45A H45A 0.9800 .
C45A H45B 0.9800 .
C45A H45C 0.9800 .
C43B H43D 0.9800 .
C43B H43E 0.9800 .
C43B H43F 0.9800 .
C44B H44D 0.9800 .
C44B H44E 0.9800 .
C44B H44F 0.9800 .
C45B H45D 0.9800 .
C45B H45E 0.9800 .
C45B H45F 0.9800 .
C51 O21 1.415(12) .
C51 C52 1.498(15) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 N2 1.474(13) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C41 O22 1.38(2) .
C41 C42 1.50(3) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 N2 1.489(13) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C91 O23 1.40(3) .
C91 C92 1.51(3) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C92 N2 1.391(13) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
N2 C92 1.391(13) 4_565
N2 C52 1.474(13) 4_565
N2 C42 1.489(13) 4_565
Si31 C63A 1.849(7) .
Si31 C64B 1.855(8) .
Si31 C65B 1.873(7) .
Si31 C64A 1.877(8) .
Si31 C63B 1.878(8) .
Si31 C65A 1.880(8) .
C63A H63A 0.9800 .
C63A H63B 0.9800 .
C63A H63C 0.9800 .
C64A H64A 0.9800 .
C64A H64B 0.9800 .
C64A H64C 0.9800 .
C65A H65A 0.9800 .
C65A H65B 0.9800 .
C65A H65C 0.9800 .
C63B H63D 0.9800 .
C63B H63E 0.9800 .
C63B H63F 0.9800 .
C64B H64D 0.9800 .
C64B H64E 0.9800 .
C64B H64F 0.9800 .
C65B H65D 0.9800 .
C65B H65E 0.9800 .
C65B H65F 0.9800 .
Si32 C74 1.851(9) 4_575
Si32 C74 1.851(9) .
Si32 C75 1.878(9) .
Si32 C75 1.878(9) 4_575
Si32 C73 1.880(9) .
Si32 C73 1.880(9) 4_575
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
N3 C62 1.465(13) 4_575
N3 C62 1.465(13) .
N3 C72 1.471(13) 4_575
N3 C72 1.471(13) .
N3 C82 1.486(13) 4_575
N3 C82 1.486(13) .
O31 C61 1.419(15) .
C61 C62 1.531(17) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
O32 C71 1.431(15) .
C71 C72 1.529(17) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
O33 C81 1.412(13) .
C81 C82 1.501(16) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
