#------------------------------------------------------------------------------
#$Date: 2022-10-03 16:40:12 +0200 (Mon 03 de Oct de 2022) $
#$Revision: 278324 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000811.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(η³-2,2'-iminodiethoxo)germanium(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              991
_journal_page_last               993
_journal_paper_doi               10.1107/S0108270191012398
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C4 H11 Ge N O4'
_chemical_formula_weight         209.6
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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                     709.7(4)
_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
_cod_data_source_file            as0538.cif
_cod_data_source_block           as0538a
_cod_depositor_comments
;

  Adding the _atom_site_type_symbol data item, to prevent confusion
  between hydrogen and holmium atom types.

  Saulius Gra\<zulis
  2013-10-17
;
_cod_original_cell_volume        709.8(3)
_cod_original_formula_sum        'C4 H11 Ge1 N1 O4'
_cod_database_code               2000811
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge Ge .00293(9) .14709(4) .15760(5)
N N -.2573(8) .2551(3) .2346(4)
O O1 .1873(7) .2690(3) .1369(3)
O O2 .0305(7) .0852(3) .3021(3)
O O3 .2311(6) .0566(3) .0972(3)
O O4 -.2650(7) .1140(3) .0566(3)
C C1 -.0885(13) .1377(5) .3943(5)
C C2 -.3217(12) .1995(5) .3463(5)
C C3 -.1161(12) .3585(4) .2543(6)
C C4 .0595(13) .3696(4) .1561(6)
H HN -.428 .258 .192
H HO3 .418 .087 .105
H HO4 -.204 .073 .013
H H1A -.139 .085 .456
H H1B .038 .193 .436
H H2A -.469 .147 .329
H H2B -.374 .255 .405
H H3A -.246 .422 .256
H H3B -.014 .357 .334
H H4A .186 .431 .173
H 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)
