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#$Date: 2025-08-19 00:52:38 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301791 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/19/2001945.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_2001945
loop_
_publ_author_name
'Chiang, H.-C.'
'Wang, M.-H.'
'Ueng, C.-H.'
_publ_section_title
;
 Synthesis and structure of
 diaquabis(glycolato-<i>O</i>,<i>O''</i>)germanium(IV)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              244
_journal_page_last               246
_journal_paper_doi               10.1107/S0108270192006218
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H8 Ge O8'
_chemical_formula_weight         256.7
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.862(2)
_cell_length_b                   5.952(2)
_cell_length_c                   13.448(4)
_cell_volume                     387.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    3.92
_exptl_crystal_density_diffrn    2.20
_exptl_crystal_F_000             256
_cod_data_source_file            as1003.cif
_cod_data_source_block           as1003_structure_1_of_1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C4 H8 Ge1 O8'
_cod_database_code               2001945
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge .0 .5 .0
O(1) -.2162(7) .4836(7) .1022(3)
O(2) .1550(7) .7644(6) .0554(3)
O(3) .1127(8) .9945(7) .1823(3)
O(4) .2871(7) .3239(7) .0761(3)
C(1) -.1800(10) .6740(10) .1654(4)
C(2) .0450(10) .8270(10) .1348(4)
H(1A) -.359 .762 .164
H(1B) -.131 .625 .238
H(4A) .293 .211 .130
H(4B) -.489 .362 .094
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Ge O(1) C(1) 111.4(3)
Ge O(2) C(2) 112.7(3)
O(1) C(1) C(2) 111.5(5)
O(2) C(2) C(1) 115.0(5)
O(2) C(2) O(3) 123.9(5)
C(1) C(2) O(3) 121.2(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ge O(1) 1.817(4)
Ge O(2) 1.866(4)
Ge O(4) 1.949(4)
O(1) C(1) 1.416(7)
O(2) C(2) 1.298(7)
C(1) C(2) 1.513(8)
C(1) H(1A) 1.014(6)
C(1) H(1B) 1.021(6)
C(2) O(3) 1.211(7)
O(4) H(4A) 0.983(4)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139054005
