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#$Date: 2025-07-01 14:01:53 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1169 $
#$URL: svn://localhost/testcod/cif/2/00/00/2000036.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_2000036
loop_
_publ_author_name
'Rammohan, Alagappa'
'Kaduk, James A.'
_publ_section_title
;
Sodium dipotassium citrate, NaK2C6H5O7
;
_journal_coeditor_code CV5503
_journal_issue 3
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_page_first 403
_journal_page_last 406
_journal_paper_doi 10.1107/S2056989016002966
_journal_volume 72
_journal_year 2016
_chemical_formula_iupac 'Na +, 2K +, C6 H5 O7 3-'
_chemical_formula_moiety 'Na +, 2(K +), C6 H5 O7 3-'
_chemical_formula_sum 'C6 H5 K2 Na O7'
_chemical_formula_weight 290.29
_chemical_name_common 'sodium dipotassium citrate'
_chemical_name_systematic
;
Sodium dipotassium citrate
;
_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'
_audit_creation_method 'from EXP file using GSAS2CIF'
_cell_angle_alpha 83.4276(17)
_cell_angle_beta 88.991(2)
_cell_angle_gamma 84.3488(16)
_cell_formula_units_Z 2
_cell_length_a 5.51284(12)
_cell_length_b 7.62583(13)
_cell_length_c 11.37121(14)
_cell_measurement_temperature 300
_cell_volume 472.586(14)
_computing_data_collection
;
DIFFRAC (Bruker, 2009)
;
_computing_data_reduction
;
PowDLL (Kourkoumelis, 2013)
;
_computing_molecular_graphics
;
DIAMOND (Crystal Impact, 2015)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
GSAS (Larson & Von Dreele, 2004) and
EXPGUI (Toby, 2001)
;
_computing_structure_solution
;
FOX (Favre-Nicolin & \