#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:19:14 +0200 (Mon, 07 Nov 2022) $
#$Revision: 278976 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/76/1567684.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_1567684
loop_
_publ_author_name
'Mahawar, Pritam'
'Shukla, Pratima'
'Chandra Joshi, Prakash'
'Singh, Dharmendra'
'Kumar, Hemant'
'Mukherjee, Goutam'
'Nagendran, Selvarajan'
_publ_section_title
;
 Air and water stable germacarbonyl compounds
;
_journal_issue                   42
_journal_name_full               'Chemical Science'
_journal_page_first              12382
_journal_page_last               12388
_journal_paper_doi               10.1039/D2SC01869A
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C35 H36 Ge N2 O S'
_chemical_formula_sum            'C35 H36 Ge N2 O S'
_chemical_formula_weight         605.33
_chemical_name_systematic        DPMGe(S)OEt
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_audit_creation_date             2021-10-10
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_audit_update_record
;
2021-10-21 deposited with the CCDC.	2022-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.287(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9611(5)
_cell_length_b                   14.0451(5)
_cell_length_c                   15.5244(6)
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      3.13
_cell_volume                     3114.79(19)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.9988
_diffrn_reflns_Laue_measured_fraction_max 0.9977
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            89570
_diffrn_reflns_point_group_measured_fraction_full 0.9988
_diffrn_reflns_point_group_measured_fraction_max 0.9977
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.00
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0743 before and 0.0563 after correction.
The Ratio of minimum to maximum transmission is 0.9008.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.4519
_refine_diff_density_min         -0.4092
_refine_diff_density_rms         0.0921
_refine_ls_d_res_high            0.7497
_refine_ls_d_res_low             10.1953
_refine_ls_goodness_of_fit_ref   1.0217
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    57
_refine_ls_number_parameters     368
_refine_ls_number_reflns         7734
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0217
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0530P)²+0.5140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0942
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -19
_reflns_limit_k_max              18
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              -11
_reflns_number_gt                6223
_reflns_number_total             7734
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d2sc01869a2.cif
_cod_data_source_block           pm162_0m_a
_cod_depositor_comments
'Adding full bibliography for 1567676--1567686.cif.'
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1567684
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C34(H34a,H34b)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C18(H18), C3(H3), C7(H7), C8(H8), C11(H11), C20(H20), C15(H15),
 C13(H13), C12(H12), C27(H27), C29(H29), C14(H14)
2.c Idealised Me refined as rotating group:
 C23(H23a,H23b,H23c), C22(H22a,H22b,H22c), C32(H32a,H32b,H32c), C24(H24a,H24b,
 H24c), C31(H31a,H31b,H31c), C33(H33a,H33b,H33c), C35(H35a,H35b,H35c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 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_refinement_flags_posn
Ge1 Ge 0.596730(11) 0.298121(12) 0.389319(12) 0.04197(7) Uani 1.000000 .
S1 S 0.61536(4) 0.15909(4) 0.35614(4) 0.06253(14) Uani 1.000000 .
O1 O 0.64411(9) 0.34474(10) 0.49801(8) 0.0562(3) Uani 1.000000 .
N1 N 0.46877(9) 0.33788(10) 0.35854(9) 0.0424(3) Uani 1.000000 .
N2 N 0.62937(9) 0.39619(10) 0.31849(9) 0.0418(3) Uani 1.000000 .
C1 C 0.46862(11) 0.43688(11) 0.22747(11) 0.0403(3) Uani 1.000000 .
C2 C 0.56539(11) 0.44011(12) 0.24439(11) 0.0420(3) Uani 1.000000 .
C3 C 0.61769(13) 0.49031(14) 0.19723(13) 0.0522(4) Uani 1.000000 .
H3 H 0.59342(13) 0.52519(14) 0.14452(13) 0.0627(5) Uiso 1.000000 R
C4 C 0.71063(13) 0.47860(15) 0.24283(14) 0.0587(5) Uani 1.000000 .
H4 H 0.76071(13) 0.50496(15) 0.22722(14) 0.0704(6) Uiso 1.000000 R
C5 C 0.71668(11) 0.41964(12) 0.31736(12) 0.0471(4) Uani 1.000000 .
C6 C 0.42299(11) 0.39054(12) 0.28185(11) 0.0430(3) Uani 1.000000 .
C7 C 0.32701(12) 0.39198(14) 0.27560(13) 0.0530(4) Uani 1.000000 .
H7 H 0.27984(12) 0.42230(14) 0.23123(13) 0.0636(5) Uiso 1.000000 R
C8 C 0.31585(13) 0.34071(16) 0.34663(14) 0.0580(5) Uani 1.000000 .
H8 H 0.25963(13) 0.33012(16) 0.35918(14) 0.0696(6) Uiso 1.000000 R
C9 C 0.40414(12) 0.30690(12) 0.39726(12) 0.0454(4) Uani 1.000000 .
C10 C 0.40995(11) 0.49004(13) 0.14728(11) 0.0430(3) Uani 1.000000 .
C11 C 0.41183(15) 0.58831(15) 0.14583(14) 0.0607(5) Uani 1.000000 .
H11 H 0.45007(15) 0.62123(15) 0.19503(14) 0.0729(6) Uiso 1.000000 R
C12 C 0.35742(16) 0.63846(18) 0.07192(16) 0.0716(6) Uani 1.000000 .
H12 H 0.35872(16) 0.70466(18) 0.07199(16) 0.0859(7) Uiso 1.000000 R
C13 C 0.30206(14) 0.5908(2) -0.00078(15) 0.0748(7) Uani 1.000000 .
H13 H 0.26558(14) 0.6243(2) -0.05050(15) 0.0897(8) Uiso 1.000000 R
C14 C 0.30028(16) 0.4940(2) -0.00045(15) 0.0827(8) Uani 1.000000 .
H14 H 0.26274(16) 0.4616(2) -0.05039(15) 0.0993(9) Uiso 1.000000 R
C15 C 0.35359(15) 0.44325(16) 0.07320(13) 0.0637(5) Uani 1.000000 .
H15 H 0.35131(15) 0.37708(16) 0.07264(13) 0.0764(6) Uiso 1.000000 R
C16 C 0.42841(11) 0.24907(12) 0.48091(11) 0.0438(3) Uani 1.000000 .
C17 C 0.41771(11) 0.14975(12) 0.47651(12) 0.0440(4) Uani 1.000000 .
C18 C 0.44206(12) 0.09813(13) 0.55649(12) 0.0477(4) Uani 1.000000 .
H18 H 0.43640(12) 0.03217(13) 0.55381(12) 0.0573(4) Uiso 1.000000 R
C19 C 0.47432(13) 0.14144(14) 0.63960(12) 0.0523(4) Uani 1.000000 .
C20 C 0.48132(15) 0.23957(15) 0.64161(13) 0.0584(5) Uani 1.000000 .
H20 H 0.50200(15) 0.26974(15) 0.69735(13) 0.0701(6) Uiso 1.000000 R
C21 C 0.45905(14) 0.29472(13) 0.56476(13) 0.0518(4) Uani 1.000000 .
C22 C 0.46780(18) 0.40191(14) 0.57259(16) 0.0687(6) Uani 1.000000 .
H22a H 0.4577(12) 0.42212(18) 0.6280(6) 0.1030(9) Uiso 1.000000 GR
H22b H 0.5293(4) 0.42071(17) 0.5721(12) 0.1030(9) Uiso 1.000000 GR
H22c H 0.4219(8) 0.43091(14) 0.5226(6) 0.1030(9) Uiso 1.000000 GR
C23 C 0.38027(14) 0.09989(15) 0.38761(13) 0.0569(5) Uani 1.000000 .
H23a H 0.3821(10) 0.03230(15) 0.39720(16) 0.0854(7) Uiso 1.000000 GR
H23b H 0.3168(4) 0.1195(8) 0.3594(5) 0.0854(7) Uiso 1.000000 GR
H23c H 0.4179(7) 0.1159(9) 0.3493(4) 0.0854(7) Uiso 1.000000 GR
C24 C 0.5011(2) 0.08464(17) 0.72603(14) 0.0763(7) Uani 1.000000 .
H24a H 0.5670(3) 0.0715(11) 0.7436(7) 0.1145(10) Uiso 1.000000 GR
H24b H 0.4863(12) 0.1205(6) 0.7727(4) 0.1145(10) Uiso 1.000000 GR
H24c H 0.4670(10) 0.0258(6) 0.7168(4) 0.1145(10) Uiso 1.000000 GR
C25 C 0.80244(11) 0.38543(14) 0.38621(13) 0.0498(4) Uani 1.000000 .
C26 C 0.84585(13) 0.30249(14) 0.36917(14) 0.0533(4) Uani 1.000000 .
C27 C 0.92402(14) 0.26977(17) 0.43621(16) 0.0658(6) Uani 1.000000 .
H27 H 0.95230(14) 0.21345(17) 0.42655(16) 0.0790(7) Uiso 1.000000 R
C28 C 0.96118(15) 0.3179(2) 0.51660(17) 0.0712(6) Uani 1.000000 .
C29 C 0.91931(15) 0.4018(2) 0.52875(16) 0.0743(6) Uani 1.000000 .
H29 H 0.94516(15) 0.4361(2) 0.58154(16) 0.0892(8) Uiso 1.000000 R
C30 C 0.83975(14) 0.43776(16) 0.46539(15) 0.0624(5) Uani 1.000000 .
C31 C 0.7955(2) 0.52883(19) 0.4832(2) 0.0908(8) Uani 1.000000 .
H31a H 0.8381(6) 0.5616(8) 0.5330(10) 0.1362(13) Uiso 1.000000 GR
H31b H 0.7815(14) 0.5685(7) 0.4305(6) 0.1362(13) Uiso 1.000000 GR
H31c H 0.7388(8) 0.5146(2) 0.4975(14) 0.1362(13) Uiso 1.000000 GR
C32 C 0.81060(16) 0.25026(18) 0.28177(16) 0.0689(6) Uani 1.000000 .
H32a H 0.7488(5) 0.2266(11) 0.2753(6) 0.1034(8) Uiso 1.000000 GR
H32b H 0.8088(12) 0.2927(4) 0.23282(17) 0.1034(8) Uiso 1.000000 GR
H32c H 0.8516(7) 0.1979(8) 0.2810(5) 0.1034(8) Uiso 1.000000 GR
C33 C 1.0447(2) 0.2790(3) 0.5890(2) 0.1053(11) Uani 1.000000 .
H33a H 1.1006(3) 0.2904(17) 0.5723(9) 0.1580(16) Uiso 1.000000 GR
H33b H 1.0495(11) 0.3102(13) 0.6452(4) 0.1580(16) Uiso 1.000000 GR
H33c H 1.0369(9) 0.2118(4) 0.5953(12) 0.1580(16) Uiso 1.000000 GR
C34 C 0.7039(2) 0.28605(19) 0.56588(15) 0.0794(7) Uani 1.000000 .
H34a H 0.6697(2) 0.23058(19) 0.57596(15) 0.0953(9) Uiso 1.000000 R
H34b H 0.7563(2) 0.26440(19) 0.54633(15) 0.0953(9) Uiso 1.000000 R
C35 C 0.7389(2) 0.3414(3) 0.65126(18) 0.1122(11) Uani 1.000000 .
H35a H 0.7673(17) 0.3995(10) 0.6396(4) 0.1683(17) Uiso 1.000000 GR
H35b H 0.6876(4) 0.3562(17) 0.6742(10) 0.1683(17) Uiso 1.000000 GR
H35c H 0.7845(15) 0.3044(8) 0.6950(7) 0.1683(17) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Ge 0.18162 1.86805 16.08160 6.37470 3.70680 3.68300 2.85090 0.25160 11.44680
54.76250 2.13130 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
S 0.12424 0.12443 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.86690 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
O1 Ge1 S1 123.32(5) . . ?
N1 Ge1 S1 114.45(5) . . ?
N1 Ge1 O1 102.70(6) . . ?
N2 Ge1 S1 117.52(5) . . ?
N2 Ge1 O1 100.67(6) . . ?
N2 Ge1 N1 93.08(6) . . ?
C34 O1 Ge1 118.79(14) . . ?
C6 N1 Ge1 124.64(11) . . ?
C9 N1 Ge1 126.11(12) . . ?
C9 N1 C6 108.35(13) . . ?
C2 N2 Ge1 124.02(11) . . ?
C5 N2 Ge1 126.52(11) . . ?
C5 N2 C2 107.98(14) . . ?
C6 C1 C2 124.70(14) . . ?
C10 C1 C2 117.49(14) . . ?
C10 C1 C6 117.77(14) . . ?
C1 C2 N2 123.93(15) . . ?
C3 C2 N2 107.29(14) . . ?
C3 C2 C1 128.66(15) . . ?
H3 C3 C2 126.07(10) . . ?
C4 C3 C2 107.85(16) . . ?
C4 C3 H3 126.07(11) . . ?
H4 C4 C3 126.16(11) . . ?
C5 C4 C3 107.68(16) . . ?
C5 C4 H4 126.16(10) . . ?
C4 C5 N2 109.18(15) . . ?
C25 C5 N2 122.91(15) . . ?
C25 C5 C4 127.91(16) . . ?
C1 C6 N1 124.00(14) . . ?
C7 C6 N1 107.32(15) . . ?
C7 C6 C1 128.55(15) . . ?
H7 C7 C6 126.19(10) . . ?
C8 C7 C6 107.61(16) . . ?
C8 C7 H7 126.19(11) . . ?
H8 C8 C7 125.99(11) . . ?
C9 C8 C7 108.02(16) . . ?
C9 C8 H8 125.99(11) . . ?
C8 C9 N1 108.68(16) . . ?
C16 C9 N1 122.95(15) . . ?
C16 C9 C8 128.35(16) . . ?
C11 C10 C1 120.25(15) . . ?
C15 C10 C1 121.41(17) . . ?
C15 C10 C11 118.34(17) . . ?
H11 C11 C10 119.61(11) . . ?
C12 C11 C10 120.8(2) . . ?
C12 C11 H11 119.61(14) . . ?
H12 C12 C11 120.01(14) . . ?
C13 C12 C11 120.0(2) . . ?
C13 C12 H12 120.01(14) . . ?
H13 C13 C12 120.11(14) . . ?
C14 C13 C12 119.8(2) . . ?
C14 C13 H13 120.11(13) . . ?
H14 C14 C13 119.61(13) . . ?
C15 C14 C13 120.8(2) . . ?
C15 C14 H14 119.61(15) . . ?
C14 C15 C10 120.4(2) . . ?
H15 C15 C10 119.82(12) . . ?
H15 C15 C14 119.82(15) . . ?
C17 C16 C9 120.48(15) . . ?
C21 C16 C9 119.39(16) . . ?
C21 C16 C17 120.09(16) . . ?
C18 C17 C16 118.64(15) . . ?
C23 C17 C16 120.99(16) . . ?
C23 C17 C18 120.37(16) . . ?
H18 C18 C17 118.92(10) . . ?
C19 C18 C17 122.16(16) . . ?
C19 C18 H18 118.92(11) . . ?
C20 C19 C18 117.69(17) . . ?
C24 C19 C18 121.72(18) . . ?
C24 C19 C20 120.58(18) . . ?
H20 C20 C19 118.52(11) . . ?
C21 C20 C19 122.95(18) . . ?
C21 C20 H20 118.52(11) . . ?
C20 C21 C16 118.41(17) . . ?
C22 C21 C16 121.79(18) . . ?
C22 C21 C20 119.80(18) . . ?
H22a C22 C21 109.5 . . ?
H22b C22 C21 109.5 . . ?
H22b C22 H22a 109.5 . . ?
H22c C22 C21 109.5 . . ?
H22c C22 H22a 109.5 . . ?
H22c C22 H22b 109.5 . . ?
H23a C23 C17 109.5 . . ?
H23b C23 C17 109.5 . . ?
H23b C23 H23a 109.5 . . ?
H23c C23 C17 109.5 . . ?
H23c C23 H23a 109.5 . . ?
H23c C23 H23b 109.5 . . ?
H24a C24 C19 109.5 . . ?
H24b C24 C19 109.5 . . ?
H24b C24 H24a 109.5 . . ?
H24c C24 C19 109.5 . . ?
H24c C24 H24a 109.5 . . ?
H24c C24 H24b 109.5 . . ?
C26 C25 C5 118.99(17) . . ?
C30 C25 C5 119.77(17) . . ?
C30 C25 C26 121.22(17) . . ?
C27 C26 C25 117.9(2) . . ?
C32 C26 C25 121.54(18) . . ?
C32 C26 C27 120.54(19) . . ?
H27 C27 C26 118.78(14) . . ?
C28 C27 C26 122.4(2) . . ?
C28 C27 H27 118.78(13) . . ?
C29 C28 C27 117.8(2) . . ?
C33 C28 C27 121.0(2) . . ?
C33 C28 C29 121.2(3) . . ?
H29 C29 C28 118.57(14) . . ?
C30 C29 C28 122.9(2) . . ?
C30 C29 H29 118.57(15) . . ?
C29 C30 C25 117.6(2) . . ?
C31 C30 C25 121.79(19) . . ?
C31 C30 C29 120.6(2) . . ?
H31a C31 C30 109.5 . . ?
H31b C31 C30 109.5 . . ?
H31b C31 H31a 109.5 . . ?
H31c C31 C30 109.5 . . ?
H31c C31 H31a 109.5 . . ?
H31c C31 H31b 109.5 . . ?
H32a C32 C26 109.5 . . ?
H32b C32 C26 109.5 . . ?
H32b C32 H32a 109.5 . . ?
H32c C32 C26 109.5 . . ?
H32c C32 H32a 109.5 . . ?
H32c C32 H32b 109.5 . . ?
H33a C33 C28 109.5 . . ?
H33b C33 C28 109.5 . . ?
H33b C33 H33a 109.5 . . ?
H33c C33 C28 109.5 . . ?
H33c C33 H33a 109.5 . . ?
H33c C33 H33b 109.5 . . ?
H34a C34 O1 109.78(13) . . ?
H34b C34 O1 109.78(14) . . ?
H34b C34 H34a 108.2 . . ?
C35 C34 O1 109.5(2) . . ?
C35 C34 H34a 109.78(18) . . ?
C35 C34 H34b 109.78(19) . . ?
H35a C35 C34 109.5 . . ?
H35b C35 C34 109.5 . . ?
H35b C35 H35a 109.5 . . ?
H35c C35 C34 109.5 . . ?
H35c C35 H35a 109.5 . . ?
H35c C35 H35b 109.5 . . ?
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 S1 2.0595(5) . ?
Ge1 O1 1.7515(13) . ?
Ge1 N1 1.9135(13) . ?
Ge1 N2 1.9141(14) . ?
O1 C34 1.425(2) . ?
N1 C6 1.396(2) . ?
N1 C9 1.353(2) . ?
N2 C2 1.4021(19) . ?
N2 C5 1.352(2) . ?
C1 C2 1.393(2) . ?
C1 C6 1.395(2) . ?
C1 C10 1.493(2) . ?
C2 C3 1.409(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.404(3) . ?
C5 C25 1.485(2) . ?
C6 C7 1.410(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.368(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.404(2) . ?
C9 C16 1.482(2) . ?
C10 C11 1.381(3) . ?
C10 C15 1.375(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.361(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.359(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.382(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.404(2) . ?
C16 C21 1.400(2) . ?
C17 C18 1.390(2) . ?
C17 C23 1.500(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(2) . ?
C19 C20 1.382(3) . ?
C19 C24 1.509(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.378(3) . ?
C21 C22 1.513(3) . ?
C22 H22a 0.9600 . ?
C22 H22b 0.9600 . ?
C22 H22c 0.9600 . ?
C23 H23a 0.9600 . ?
C23 H23b 0.9600 . ?
C23 H23c 0.9600 . ?
C24 H24a 0.9600 . ?
C24 H24b 0.9600 . ?
C24 H24c 0.9600 . ?
C25 C26 1.397(3) . ?
C25 C30 1.398(3) . ?
C26 C27 1.392(3) . ?
C26 C32 1.494(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.383(3) . ?
C28 C29 1.373(4) . ?
C28 C33 1.512(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.394(3) . ?
C30 C31 1.503(3) . ?
C31 H31a 0.9600 . ?
C31 H31b 0.9600 . ?
C31 H31c 0.9600 . ?
C32 H32a 0.9600 . ?
C32 H32b 0.9600 . ?
C32 H32c 0.9600 . ?
C33 H33a 0.9600 . ?
C33 H33b 0.9600 . ?
C33 H33c 0.9600 . ?
C34 H34a 0.9700 . ?
C34 H34b 0.9700 . ?
C34 C35 1.491(4) . ?
C35 H35a 0.9600 . ?
C35 H35b 0.9600 . ?
C35 H35c 0.9600 . ?
