#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:29:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179248 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/68/4316858.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_4316858
loop_
_publ_author_name
'S. M. Ibrahim Al-Rafia'
'Paul A. Lummis'
'Michael J. Ferguson'
'Robert McDonald'
'Eric Rivard'
_publ_contact_author_address
;
Department of Chemistry
University of Alberta
Edmonton
AB T6G 2G2
CANADA
;
_publ_contact_author_email       ERIVARD@UALBERTA.CA
_publ_contact_author_name        'E. Rivard'
_publ_section_title
;
 Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically
 Tunable Bis(amido)silyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9709
_journal_page_last               9717
_journal_paper_doi               10.1021/ic101485a
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C60 H96 Ge2 N4 S2 Si2, C4 H10 O'
_chemical_formula_sum            'C64 H106 Ge2 N4 O S2 Si2'
_chemical_formula_weight         1213.01
_chemical_name_common            'Compound 8'
_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                 105.8690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.0842(6)
_cell_length_b                   14.8807(7)
_cell_length_c                   16.6170(8)
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.17
_cell_volume                     3349.9(3)
_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, 2008)'
_computing_structure_solution    'SIR-97 (Altomare et al, 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.0156
_diffrn_reflns_av_sigmaI/netI    0.0130
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29458
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.036
_exptl_absorpt_correction_T_max  0.8805
_exptl_absorpt_correction_T_min  0.5995
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.197
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         7700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0315P)²+0.8441P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                7028
_reflns_number_total             7700
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic101485a_si_001_09.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4316858
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
Ge Ge 0.411226(8) 0.440882(7) 0.474962(7) 0.01758(4) Uani 1 1 d . . .
S S 0.54915(2) 0.427785(18) 0.575725(18) 0.02343(6) Uani 1 1 d . . .
Si Si 0.24439(2) 0.36260(2) 0.399245(19) 0.02101(7) Uani 1 1 d . . .
N1 N 0.36827(7) 0.35153(6) 0.39749(6) 0.02029(18) Uani 1 1 d . . .
N2 N 0.28561(7) 0.43199(6) 0.48832(6) 0.02001(18) Uani 1 1 d . . .
C1 C 0.16943(9) 0.42095(9) 0.30122(8) 0.0293(3) Uani 1 1 d . . .
H1 H 0.1759 0.3823 0.2538 0.035 Uiso 1 1 calc R . .
C2 C 0.20706(10) 0.51409(9) 0.28425(8) 0.0353(3) Uani 1 1 d . . .
H2A H 0.1770 0.5308 0.2258 0.042 Uiso 1 1 calc R . .
H2B H 0.2790 0.5123 0.2951 0.042 Uiso 1 1 calc R . .
H2C H 0.1892 0.5585 0.3211 0.042 Uiso 1 1 calc R . .
C3 C 0.05831(10) 0.42772(10) 0.29142(11) 0.0429(3) Uani 1 1 d . . .
H3A H 0.0267 0.4606 0.2400 0.052 Uiso 1 1 calc R . .
H3B H 0.0471 0.4596 0.3396 0.052 Uiso 1 1 calc R . .
H3C H 0.0301 0.3672 0.2884 0.052 Uiso 1 1 calc R . .
C4 C 0.18315(9) 0.25384(9) 0.41260(8) 0.0318(3) Uani 1 1 d . . .
H4 H 0.2306 0.2204 0.4586 0.038 Uiso 1 1 calc R . .
C5 C 0.16703(12) 0.19591(10) 0.33330(10) 0.0465(4) Uani 1 1 d . . .
H5A H 0.1416 0.1369 0.3432 0.056 Uiso 1 1 calc R . .
H5B H 0.2299 0.1884 0.3195 0.056 Uiso 1 1 calc R . .
H5C H 0.1194 0.2255 0.2867 0.056 Uiso 1 1 calc R . .
C6 C 0.08731(11) 0.26439(12) 0.43918(11) 0.0503(4) Uani 1 1 d . . .
H6A H 0.0689 0.2063 0.4582 0.060 Uiso 1 1 calc R . .
H6B H 0.0343 0.2854 0.3914 0.060 Uiso 1 1 calc R . .
H6C H 0.0977 0.3082 0.4848 0.060 Uiso 1 1 calc R . .
C11 C 0.42633(8) 0.29027(7) 0.36426(7) 0.0223(2) Uani 1 1 d . . .
C12 C 0.45313(9) 0.31219(8) 0.29061(7) 0.0269(2) Uani 1 1 d . . .
C13 C 0.50732(10) 0.25018(9) 0.25842(8) 0.0351(3) Uani 1 1 d . . .
H13 H 0.5251 0.2645 0.2088 0.042 Uiso 1 1 calc R . .
C14 C 0.53572(10) 0.16862(10) 0.29687(10) 0.0396(3) Uani 1 1 d . . .
H14 H 0.5708 0.1265 0.2729 0.048 Uiso 1 1 calc R . .
C15 C 0.51270(10) 0.14886(9) 0.37048(9) 0.0359(3) Uani 1 1 d . . .
H15 H 0.5338 0.0933 0.3976 0.043 Uiso 1 1 calc R . .
C16 C 0.45922(9) 0.20854(8) 0.40596(8) 0.0275(2) Uani 1 1 d . . .
C17 C 0.42537(10) 0.40087(9) 0.24565(8) 0.0329(3) Uani 1 1 d . . .
H17 H 0.3959 0.4397 0.2817 0.039 Uiso 1 1 calc R . .
C18 C 0.51602(14) 0.45005(11) 0.23334(12) 0.0522(4) Uani 1 1 d . . .
H18A H 0.5649 0.4576 0.2876 0.063 Uiso 1 1 calc R . .
H18B H 0.4962 0.5092 0.2084 0.063 Uiso 1 1 calc R . .
H18C H 0.5449 0.4148 0.1961 0.063 Uiso 1 1 calc R . .
C19 C 0.34739(13) 0.38802(12) 0.16256(9) 0.0493(4) Uani 1 1 d . . .
H19A H 0.2905 0.3561 0.1721 0.059 Uiso 1 1 calc R . .
H19B H 0.3753 0.3528 0.1247 0.059 Uiso 1 1 calc R . .
H19C H 0.3262 0.4468 0.1375 0.059 Uiso 1 1 calc R . .
C20 C 0.44262(10) 0.18278(8) 0.48977(9) 0.0330(3) Uani 1 1 d . . .
H20 H 0.4026 0.2314 0.5062 0.040 Uiso 1 1 calc R . .
C21 C 0.38474(12) 0.09425(10) 0.48435(11) 0.0460(4) Uani 1 1 d . . .
H21A H 0.3699 0.0831 0.5377 0.055 Uiso 1 1 calc R . .
H21B H 0.4245 0.0447 0.4722 0.055 Uiso 1 1 calc R . .
H21C H 0.3230 0.0987 0.4396 0.055 Uiso 1 1 calc R . .
C22 C 0.54054(11) 0.17569(10) 0.55820(9) 0.0417(3) Uani 1 1 d . . .
H22A H 0.5277 0.1577 0.6110 0.050 Uiso 1 1 calc R . .
H22B H 0.5739 0.2341 0.5654 0.050 Uiso 1 1 calc R . .
H22C H 0.5827 0.1307 0.5420 0.050 Uiso 1 1 calc R . .
C31 C 0.25168(8) 0.46010(8) 0.55849(7) 0.0216(2) Uani 1 1 d . . .
C32 C 0.21524(9) 0.54770(8) 0.56210(8) 0.0270(2) Uani 1 1 d . . .
C33 C 0.18346(11) 0.57304(9) 0.63159(9) 0.0362(3) Uani 1 1 d . . .
H33 H 0.1579 0.6318 0.6337 0.043 Uiso 1 1 calc R . .
C34 C 0.18841(11) 0.51485(10) 0.69692(9) 0.0389(3) Uani 1 1 d . . .
H34 H 0.1664 0.5332 0.7436 0.047 Uiso 1 1 calc R . .
C35 C 0.22552(10) 0.42974(9) 0.69405(8) 0.0345(3) Uani 1 1 d . . .
H35 H 0.2295 0.3899 0.7395 0.041 Uiso 1 1 calc R . .
C36 C 0.25739(9) 0.40043(8) 0.62604(7) 0.0263(2) Uani 1 1 d . . .
C37 C 0.21036(10) 0.61669(9) 0.49424(8) 0.0335(3) Uani 1 1 d . . .
H37 H 0.2392 0.5890 0.4514 0.040 Uiso 1 1 calc R . .
C38 C 0.27091(13) 0.70030(10) 0.52846(12) 0.0517(4) Uani 1 1 d . . .
H38A H 0.2708 0.7412 0.4822 0.062 Uiso 1 1 calc R . .
H38B H 0.3389 0.6827 0.5567 0.062 Uiso 1 1 calc R . .
H38C H 0.2419 0.7306 0.5684 0.062 Uiso 1 1 calc R . .
C39 C 0.10365(12) 0.64246(12) 0.45093(10) 0.0491(4) Uani 1 1 d . . .
H39A H 0.0644 0.5879 0.4338 0.059 Uiso 1 1 calc R . .
H39B H 0.1017 0.6791 0.4015 0.059 Uiso 1 1 calc R . .
H39C H 0.0764 0.6770 0.4897 0.059 Uiso 1 1 calc R . .
C40 C 0.30111(10) 0.30673(9) 0.63093(8) 0.0338(3) Uani 1 1 d . . .
H40 H 0.3116 0.2925 0.5752 0.041 Uiso 1 1 calc R . .
C41 C 0.23360(14) 0.23405(11) 0.65057(11) 0.0541(4) Uani 1 1 d . . .
H41A H 0.2599 0.1746 0.6433 0.065 Uiso 1 1 calc R . .
H41B H 0.1672 0.2404 0.6125 0.065 Uiso 1 1 calc R . .
H41C H 0.2305 0.2408 0.7085 0.065 Uiso 1 1 calc R . .
C42 C 0.40143(11) 0.30292(11) 0.69599(10) 0.0452(4) Uani 1 1 d . . .
H42A H 0.4453 0.3482 0.6827 0.054 Uiso 1 1 calc R . .
H42B H 0.4303 0.2431 0.6954 0.054 Uiso 1 1 calc R . .
H42C H 0.3930 0.3150 0.7516 0.054 Uiso 1 1 calc R . .
O1S O 0.0226(4) 0.0112(4) 0.5018(4) 0.069(2) Uani 0.50 1 d P A -1
C1S C -0.0773(5) -0.0126(6) 0.4783(4) 0.071(2) Uani 0.50 1 d P A -1
H1SA H -0.0986 -0.0285 0.5286 0.085 Uiso 0.50 1 calc PR A -1
H1SB H -0.0876 -0.0656 0.4409 0.085 Uiso 0.50 1 calc PR A -1
C2S C -0.1361(7) 0.0639(6) 0.4347(5) 0.097(3) Uani 0.50 1 d P A -1
H2SA H -0.2064 0.0483 0.4199 0.117 Uiso 0.50 1 calc PR A -1
H2SB H -0.1167 0.0775 0.3837 0.117 Uiso 0.50 1 calc PR A -1
H2SC H -0.1243 0.1165 0.4715 0.117 Uiso 0.50 1 calc PR A -1
C3S C 0.0841(5) -0.0598(4) 0.5420(4) 0.0623(17) Uani 0.50 1 d P A -1
H3SA H 0.0752 -0.1125 0.5043 0.075 Uiso 0.50 1 calc PR A -1
H3SB H 0.0659 -0.0777 0.5932 0.075 Uiso 0.50 1 calc PR A -1
C4S C 0.1902(4) -0.0297(4) 0.5646(3) 0.0805(17) Uani 0.50 1 d P A -1
H4SA H 0.2334 -0.0809 0.5865 0.097 Uiso 0.50 1 calc PR A -1
H4SB H 0.2005 0.0174 0.6073 0.097 Uiso 0.50 1 calc PR A -1
H4SC H 0.2059 -0.0061 0.5147 0.097 Uiso 0.50 1 calc PR A -1
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'
S S 0.1246 0.1234 '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
N1 Ge N2 83.65(4) . . ?
N1 Ge S 121.55(3) . . ?
N2 Ge S 125.30(3) . . ?
N1 Ge S 115.68(3) . 3_666 ?
N2 Ge S 116.71(3) . 3_666 ?
S Ge S 95.956(10) . 3_666 ?
Ge S Ge 84.043(10) . 3_666 ?
N1 Si N2 88.19(4) . . ?
N1 Si C4 114.28(5) . . ?
N2 Si C4 117.48(5) . . ?
N1 Si C1 110.54(5) . . ?
N2 Si C1 115.52(5) . . ?
C4 Si C1 109.35(6) . . ?
C11 N1 Si 137.62(7) . . ?
C11 N1 Ge 128.19(7) . . ?
Si N1 Ge 93.37(4) . . ?
C31 N2 Si 138.00(8) . . ?
C31 N2 Ge 128.18(7) . . ?
Si N2 Ge 92.71(4) . . ?
C3 C1 C2 108.35(11) . . ?
C3 C1 Si 115.79(10) . . ?
C2 C1 Si 115.62(9) . . ?
C5 C4 C6 111.55(12) . . ?
C5 C4 Si 110.31(10) . . ?
C6 C4 Si 114.44(10) . . ?
C16 C11 C12 119.58(10) . . ?
C16 C11 N1 120.24(10) . . ?
C12 C11 N1 120.16(10) . . ?
C13 C12 C11 118.89(12) . . ?
C13 C12 C17 118.82(11) . . ?
C11 C12 C17 122.29(10) . . ?
C14 C13 C12 121.64(12) . . ?
C13 C14 C15 119.31(12) . . ?
C14 C15 C16 121.59(13) . . ?
C15 C16 C11 118.87(12) . . ?
C15 C16 C20 117.51(11) . . ?
C11 C16 C20 123.59(10) . . ?
C12 C17 C19 111.27(12) . . ?
C12 C17 C18 111.71(12) . . ?
C19 C17 C18 111.06(12) . . ?
C16 C20 C22 111.33(11) . . ?
C16 C20 C21 111.92(12) . . ?
C22 C20 C21 109.84(11) . . ?
C32 C31 C36 119.28(10) . . ?
C32 C31 N2 120.64(10) . . ?
C36 C31 N2 120.06(10) . . ?
C33 C32 C31 119.14(11) . . ?
C33 C32 C37 118.21(11) . . ?
C31 C32 C37 122.64(11) . . ?
C34 C33 C32 121.53(12) . . ?
C33 C34 C35 119.34(12) . . ?
C34 C35 C36 121.68(12) . . ?
C35 C36 C31 119.01(11) . . ?
C35 C36 C40 117.36(11) . . ?
C31 C36 C40 123.56(10) . . ?
C32 C37 C39 111.10(12) . . ?
C32 C37 C38 111.62(12) . . ?
C39 C37 C38 110.37(12) . . ?
C36 C40 C42 110.82(12) . . ?
C36 C40 C41 113.17(12) . . ?
C42 C40 C41 109.31(12) . . ?
C1S O1S C3S 112.5(4) . . ?
O1S C1S C2S 109.1(6) . . ?
O1S C3S C4S 109.5(4) . . ?
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
Ge N1 1.8344(9) . ?
Ge N2 1.8471(9) . ?
Ge S 2.1992(3) . ?
Ge S 2.2577(3) 3_666 ?
S Ge 2.2577(3) 3_666 ?
Si N1 1.7606(9) . ?
Si N2 1.7675(10) . ?
Si C4 1.8755(13) . ?
Si C1 1.8925(13) . ?
N1 C11 1.4325(13) . ?
N2 C31 1.4380(14) . ?
C1 C3 1.5317(18) . ?
C1 C2 1.5372(19) . ?
C4 C5 1.5385(19) . ?
C4 C6 1.5388(19) . ?
C11 C16 1.4136(16) . ?
C11 C12 1.4138(16) . ?
C12 C13 1.3940(17) . ?
C12 C17 1.5142(18) . ?
C13 C14 1.379(2) . ?
C14 C15 1.380(2) . ?
C15 C16 1.3951(17) . ?
C16 C20 1.5229(18) . ?
C17 C19 1.523(2) . ?
C17 C18 1.533(2) . ?
C20 C22 1.533(2) . ?
C20 C21 1.5388(19) . ?
C31 C32 1.4082(16) . ?
C31 C36 1.4162(16) . ?
C32 C33 1.3995(17) . ?
C32 C37 1.5124(17) . ?
C33 C34 1.375(2) . ?
C34 C35 1.376(2) . ?
C35 C36 1.3950(17) . ?
C36 C40 1.5174(17) . ?
C37 C39 1.527(2) . ?
C37 C38 1.528(2) . ?
C40 C42 1.527(2) . ?
C40 C41 1.533(2) . ?
O1S C1S 1.399(10) . ?
O1S C3S 1.413(11) . ?
C1S C2S 1.476(12) . ?
C3S C4S 1.507(8) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ge S Ge 125.12(3) . . . 3_666 ?
N2 Ge S Ge -128.87(3) . . . 3_666 ?
S Ge S Ge 0.0 3_666 . . 3_666 ?
N2 Si N1 C11 158.44(12) . . . . ?
C4 Si N1 C11 38.95(13) . . . . ?
C1 Si N1 C11 -84.91(12) . . . . ?
N2 Si N1 Ge -11.13(4) . . . . ?
C4 Si N1 Ge -130.62(5) . . . . ?
C1 Si N1 Ge 105.52(5) . . . . ?
N2 Ge N1 C11 -160.36(10) . . . . ?
S Ge N1 C11 -32.48(10) . . . . ?
S Ge N1 C11 83.01(9) 3_666 . . . ?
N2 Ge N1 Si 10.71(4) . . . . ?
S Ge N1 Si 138.58(3) . . . . ?
S Ge N1 Si -105.93(3) 3_666 . . . ?
N1 Si N2 C31 -156.78(12) . . . . ?
C4 Si N2 C31 -40.21(13) . . . . ?
C1 Si N2 C31 91.26(12) . . . . ?
N1 Si N2 Ge 11.05(4) . . . . ?
C4 Si N2 Ge 127.61(5) . . . . ?
C1 Si N2 Ge -100.91(6) . . . . ?
N1 Ge N2 C31 159.00(10) . . . . ?
S Ge N2 C31 34.51(10) . . . . ?
S Ge N2 C31 -85.40(9) 3_666 . . . ?
N1 Ge N2 Si -10.66(4) . . . . ?
S Ge N2 Si -135.15(3) . . . . ?
S Ge N2 Si 104.94(3) 3_666 . . . ?
N1 Si C1 C3 175.01(9) . . . . ?
N2 Si C1 C3 -86.85(11) . . . . ?
C4 Si C1 C3 48.36(11) . . . . ?
N1 Si C1 C2 -56.72(10) . . . . ?
N2 Si C1 C2 41.43(11) . . . . ?
C4 Si C1 C2 176.63(9) . . . . ?
N1 Si C4 C5 -69.86(11) . . . . ?
N2 Si C4 C5 -171.14(9) . . . . ?
C1 Si C4 C5 54.64(11) . . . . ?
N1 Si C4 C6 163.38(10) . . . . ?
N2 Si C4 C6 62.10(12) . . . . ?
C1 Si C4 C6 -72.12(12) . . . . ?
Si N1 C11 C16 -79.48(15) . . . . ?
Ge N1 C11 C16 87.23(12) . . . . ?
Si N1 C11 C12 102.06(13) . . . . ?
Ge N1 C11 C12 -91.23(12) . . . . ?
C16 C11 C12 C13 3.30(17) . . . . ?
N1 C11 C12 C13 -178.23(11) . . . . ?
C16 C11 C12 C17 -176.44(11) . . . . ?
N1 C11 C12 C17 2.03(17) . . . . ?
C11 C12 C13 C14 -0.39(19) . . . . ?
C17 C12 C13 C14 179.36(12) . . . . ?
C12 C13 C14 C15 -2.1(2) . . . . ?
C13 C14 C15 C16 1.6(2) . . . . ?
C14 C15 C16 C11 1.3(2) . . . . ?
C14 C15 C16 C20 -176.64(13) . . . . ?
C12 C11 C16 C15 -3.75(17) . . . . ?
N1 C11 C16 C15 177.78(11) . . . . ?
C12 C11 C16 C20 174.07(11) . . . . ?
N1 C11 C16 C20 -4.40(17) . . . . ?
C13 C12 C17 C19 70.61(16) . . . . ?
C11 C12 C17 C19 -109.65(13) . . . . ?
C13 C12 C17 C18 -54.14(16) . . . . ?
C11 C12 C17 C18 125.60(13) . . . . ?
C15 C16 C20 C22 62.72(15) . . . . ?
C11 C16 C20 C22 -115.13(13) . . . . ?
C15 C16 C20 C21 -60.63(16) . . . . ?
C11 C16 C20 C21 121.52(13) . . . . ?
Si N2 C31 C32 -105.89(13) . . . . ?
Ge N2 C31 C32 89.66(12) . . . . ?
Si N2 C31 C36 75.98(15) . . . . ?
Ge N2 C31 C36 -88.47(12) . . . . ?
C36 C31 C32 C33 -1.42(18) . . . . ?
N2 C31 C32 C33 -179.56(11) . . . . ?
C36 C31 C32 C37 177.60(11) . . . . ?
N2 C31 C32 C37 -0.54(18) . . . . ?
C31 C32 C33 C34 1.0(2) . . . . ?
C37 C32 C33 C34 -178.05(13) . . . . ?
C32 C33 C34 C35 0.0(2) . . . . ?
C33 C34 C35 C36 -0.7(2) . . . . ?
C34 C35 C36 C31 0.3(2) . . . . ?
C34 C35 C36 C40 177.43(13) . . . . ?
C32 C31 C36 C35 0.80(17) . . . . ?
N2 C31 C36 C35 178.95(11) . . . . ?
C32 C31 C36 C40 -176.18(11) . . . . ?
N2 C31 C36 C40 1.98(17) . . . . ?
C33 C32 C37 C39 -65.22(16) . . . . ?
C31 C32 C37 C39 115.76(14) . . . . ?
C33 C32 C37 C38 58.45(17) . . . . ?
C31 C32 C37 C38 -120.58(13) . . . . ?
C35 C36 C40 C42 -69.93(15) . . . . ?
C31 C36 C40 C42 107.09(14) . . . . ?
C35 C36 C40 C41 53.26(17) . . . . ?
C31 C36 C40 C41 -129.72(13) . . . . ?
C3S O1S C1S C2S -178.3(7) . . . . ?
C1S O1S C3S C4S 179.5(5) . . . . ?
