Potassium Tartronate and Ammonium Tartronate
Taka, Jun-ichiro; Kashino, Setsuo; Acta Crystallographica Section C 54 (1998) 1257–1259; doi:10.1107/S0108270198004065

data_2007576
_publ_section_title
;
 Potassium Tartronate and Ammonium Tartronate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1257
_journal_page_last               1259
_journal_paper_doi               10.1107/S0108270198004065
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '2K 1+ , C3 H2 O5 2-'
_chemical_formula_moiety         '2(K 1+) , C3 H2 O5 2-'
_chemical_formula_sum            'C3 H2 K2 O5'
_chemical_formula_weight         196.24
_chemical_name_systematic        ' Potassium hydroxypropanedioate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 104.05(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.933(4)
_cell_length_b                   7.826(4)
_cell_length_c                   11.969(7)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9.5
_cell_volume                     630.0(6)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            1563
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.459
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             392
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.96
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1307
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.034
_reflns_number_gt                1307
_reflns_number_total             1447
_reflns_threshold_expression     I>2.0\s(I)
_cod_data_source_file            av1017.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C3 H2 K2 O5 '
_cod_database_code               2007576