#------------------------------------------------------------------------------ #$Date: 2025-08-18 23:52:38 +0100 (Mon, 18 Aug 2025) $ #$Revision: 301791 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000621.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000621 loop_ _publ_author_name 'Preut, H.' 'Klein, B.' 'Neumann, W. P.' _publ_section_title 1,3,7,9-Tetra-tert-butyl-2,2,8,8-tetramethyl-5,10-diphenyl-1,3,5,7,9,10-hexaaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1675 _journal_page_last 1677 _journal_paper_doi 10.1107/S0108270192000453 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'C32 H58 Ge2 N6 Si2' _chemical_formula_weight 728.20 _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 107.27(7) _cell_angle_beta 100.16(8) _cell_angle_gamma 98.05(9) _cell_formula_units_Z 1 _cell_length_a 9.182(11) _cell_length_b 9.774(9) _cell_length_c 11.784(10) _cell_volume 973.0(18) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 1.61 _exptl_crystal_density_diffrn 1.243 _exptl_crystal_F_000 384 _cod_data_source_file ka0016.cif _cod_data_source_block ka0016a _cod_original_cell_volume 973(2) _cod_database_code 2000621 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ge(1) .07505(5) .11369(4) .10650(4) .261 N(1) .0769(4) .0520(4) -.0576(3) .306 C(12) .1325(3) .0497(3) -.2528(2) .411 C(13) .2175(3) .1100(3) -.3199(2) .508 C(14) .3317(3) .2343(3) -.2604(2) .534 C(15) .3609(3) .2984(3) -.1339(2) .479 C(16) .2760(3) .2382(3) -.0667(2) .426 C(11) .1618(3) .1138(3) -.1262(2) .304 H(12) .0538(3) -.0358(3) -.2937(2) .799 H(13) .1973(3) .0659(3) -.4070(2) .799 H(14) .3903(3) .2756(3) -.3066(2) .799 H(15) .4400(3) .3836(3) -.0929(2) .799 H(16) .2965(3) .2820(3) .0204(2) .799 Si(1) .2153(2) .32890(10) .30470(10) .389 C(9) .1789(7) .3586(6) .4603(5) .658 H(9a) .2459(7) .4459(6) .5169(5) .799 H(9b) .0761(7) .3687(6) .4585(5) .799 H(9c) .1961(7) .2763(6) .4855(5) .799 C(10) .3698(6) .4815(5) .3154(6) .691 H(10a) .4020(6) .5463(5) .3983(6) .799 H(10b) .4534(6) .4419(5) .2905(6) .799 H(10c) .3337(6) .5345(5) .2633(6) .799 N(2) .0579(4) .2985(3) .1909(3) .308 C(1) -.0655(5) .3790(5) .1745(4) .398 C(2) -.0022(7) .5427(5) .2406(5) .599 H(2a) .0780(7) .5755(5) .2070(5) .799 H(2b) -.0817(7) .5959(5) .2304(5) .799 H(2c) .0348(7) .5595(5) .3260(5) .799 C(3) -.1240(7) .3514(6) .0398(5) .701 H(3a) -.1631(7) .2486(6) -.0013(5) .799 H(3b) -.2030(7) .4043(6) .0290(5) .799 H(3c) -.0431(7) .3838(6) .0061(5) .799 C(4) -.1935(6) .3279(6) .2288(6) .716 H(4a) -.2333(6) .2253(6) .1876(6) .799 H(4b) -.1557(6) .3450(6) .3142(6) .799 H(4c) -.2722(6) .3814(6) .2186(6) .799 N(3) .2415(4) .1552(4) .2306(3) .356 C(5) .3561(5) .0688(5) .2541(5) .428 C(6) .4256(6) .0254(6) .1441(5) .568 H(6a) .3484(6) -.0336(6) .0734(5) .799 H(6b) .4711(6) .1119(6) .1303(5) .799 H(6c) .5014(6) -.0295(6) .1593(5) .799 C(7) .2825(7) -.0657(6) .2787(6) .661 H(7a) .2041(7) -.1248(6) .2088(6) .799 H(7b) .3571(7) -.1216(6) .2941(6) .799 H(7c) .2397(7) -.0356(6) .3485(6) .799 C(8) .4806(7) .1622(7) .3650(6) .807 H(8a) .5272(7) .2472(7) .3498(6) .799 H(8b) .4377(7) .1921(7) .4349(6) .799 H(8c) .5551(7) .1061(7) .3804(6) .799 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle N(1) Ge(1) N(1a) 82.50(10) N(1) Ge(1) N(2) 123.6(2) N(1) Ge(1) N(3) 124.4(3) N(1a) Ge(1) N(2) 125.10(10) N(1a) Ge(1) N(3) 124.60(10) N(2) Ge(1) N(3) 82.5(2) Ge(1) N(1) Ge(1a) 97.50(10) Ge(1) N(1) C(11) 131.8(3) N(1) C(11) C(16) 119.8(3) N(1) C(11) C(12) 120.2(4) N(2) Si(1) N(3) 88.6(3) C(10) Si(1) N(3) 114.7(4) C(10) Si(1) N(2) 114.6(3) C(9) Si(1) N(3) 115.5(3) C(9) Si(1) N(2) 115.0(3) C(9) Si(1) C(10) 107.9(3) Ge(1) N(2) Si(1) 94.8(3) Si(1) N(2) C(1) 133.6(4) Ge(1) N(2) C(1) 130.9(4) N(2) C(1) C(4) 110.0(5) N(2) C(1) C(3) 109.2(5) N(2) C(1) C(2) 108.8(5) C(3) C(1) C(4) 109.9(5) C(2) C(1) C(4) 109.1(5) C(2) C(1) C(3) 109.8(5) Ge(1) N(3) Si(1) 94.2(3) Si(1) N(3) C(5) 134.4(4) Ge(1) N(3) C(5) 131.4(4) N(3) C(5) C(8) 109.4(5) N(3) C(5) C(7) 109.5(5) N(3) C(5) C(6) 108.9(5) C(7) C(5) C(8) 109.4(5) C(6) C(5) C(8) 108.5(5) C(6) C(5) C(7) 111.0(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Ge(1) N(1) 1.851(4) Ge(1) N(1a) 1.852(4) Ge(1) N(2) 1.829(4) Ge(1) N(3) 1.824(4) N(1) C(11) 1.417(5) Si(1) C(9) 1.867(6) Si(1) C(10) 1.867(6) Si(1) N(2) 1.713(4) Si(1) N(3) 1.735(4) N(2) C(1) 1.484(6) C(1) C(2) 1.531(6) C(1) C(3) 1.512(8) (1) C(4) 1.526(9) N(3) C(5) 1.477(7) C(5) C(6) 1.519(8) C(5) C(7) 1.521(8) C(5) C(8) 1.523(7) loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 16706373