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#$Date: 2021-05-03 15:41:16 +0300 (Mon, 03 May 2021) $
#$Revision: 264769 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900038.cif $
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#
# 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_5900038
loop_
_publ_author_name
'Morrison, J. D.'
'Robertson, J. Monteath'
_publ_section_title
;
 The crystal and molecular structure of certain dicarboxylic acids.
 Part IV. β-Succinic acid
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              980
_journal_page_last               986
_journal_paper_doi               10.1039/JR9490000980
_journal_year                    1949
_chemical_formula_sum            'C4 H6 O4'
_chemical_name_systematic        'Methylmalonic acid of form beta'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.10(1)
_cell_length_b                   8.88(3)
_cell_length_c                   7.61(2)
_diffrn_ambient_temperature      293
_cod_data_source_file            038_methylmalonic_acid_beta.cif
_cod_data_source_block           methylmalonic_acid_beta
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5900038
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C1 4 e -0.054 0.067 0.079
C2 C2 4 e -0.019 0.037 0.258
O1 O1 4 e -0.118 -0.079 0.260
O2 O2 4 e -0.169 0.139 0.293
loop_
_citation_author_citation_id
_citation_author_ordinal
_citation_author_name
1 1 'Kitajgorodskij, A. I.'
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_cod_citation_special_details
1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955
'Izdatel'stvo Akademii Nauk SSSR'
;

Coordinates are presented as published in this book, Kitajgorodskij's
"Organicheskaja Kristallokhimija", keyed in manually.

Saulius Gražulis
;
loop_
_geom_angle
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
112 C3 C1 C2
124 C1 C2 O1
114 C1 C2 O2
122 O1 C2 O2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O1 C2 1.25(3)
O2 C2 1.30(3)
C2 C1 1.51(3)
C1 C3 1.50(3)
