#------------------------------------------------------------------------------ #$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000811.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_2000811 loop_ _publ_author_name 'Chiang, H.-C.' 'Lin, S.-M.' 'Ueng, C.-H.' _publ_section_title ; Synthesis and structure of dihydroxo(\h^3^-2,2'-iminodiethoxo)germanium(IV) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 991 _journal_page_last 993 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'C4 H11 Ge N O4' _[local]_cod_chemical_formula_sum_orig 'C4 H11 Ge1 N1 O4' _chemical_formula_weight 209.6 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 94.87(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.161(2) _cell_length_b 12.251(4) _cell_length_c 11.266(3) _cell_volume 709.8(3) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7093 _exptl_absorpt_coefficient_mu 4.21 _exptl_crystal_density_diffrn 1.96 _exptl_crystal_F_000 424 _[local]_cod_data_source_file as0538.cif _[local]_cod_data_source_block as0538a loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ge .00293(9) .14709(4) .15760(5) N -.2573(8) .2551(3) .2346(4) O1 .1873(7) .2690(3) .1369(3) O2 .0305(7) .0852(3) .3021(3) O3 .2311(6) .0566(3) .0972(3) O4 -.2650(7) .1140(3) .0566(3) C1 -.0885(13) .1377(5) .3943(5) C2 -.3217(12) .1995(5) .3463(5) C3 -.1161(12) .3585(4) .2543(6) C4 .0595(13) .3696(4) .1561(6) HN -.428 .258 .192 HO3 .418 .087 .105 HO4 -.204 .073 .013 H1A -.139 .085 .456 H1B .038 .193 .436 H2A -.469 .147 .329 H2B -.374 .255 .405 H3A -.246 .422 .256 H3B -.014 .357 .334 H4A .186 .431 .173 H4B -.052 .391 .078 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Ge N 2.123(4) Ge O1 1.797(3) Ge O2 1.791(4) Ge O3 1.793(3) Ge O4 1.762(4) N C2 1.493(7) N C3 1.469(7) N HN 0.964(4) O1 C4 1.423(7) O2 C1 1.406(7) O3 HO3 1.028(3) O4 HO4 0.790(3) C1 C2 1.484(9) C1 H1A 0.999(6) C1 H1B 1.025(7) C2 H2A 1.005(7) C2 H2B 1.003(6) C3 C4 1.495(9) C3 H3A 1.027(6) C3 H3B 1.004(7) C4 H4A 1.004(6) C4 H4B 1.042(7)