#------------------------------------------------------------------------------ #$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 & \