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

data_2007577
_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          '2N H4 1+ , C3 H2 O5 2-'
_chemical_formula_moiety         '2(N H4 1+) , C3 H2 O5 2-'
_chemical_formula_sum            'C3 H10 N2 O5'
_chemical_formula_weight         154.12
_chemical_name_systematic        ' Ammonium hydroxypropanedioate'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.012(3)
_cell_length_b                   7.638(3)
_cell_length_c                   10.842(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10.5
_cell_volume                     663.5(5)
_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  0.038
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            1808
_diffrn_reflns_theta_max         34
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             328
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.22
_refine_ls_extinction_coef       1.42E-5
_refine_ls_extinction_method     'I~corr~ = I~o~(1 + gI~c~)'
_refine_ls_goodness_of_fit_ref   1.26
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     131
_refine_ls_number_reflns         1186
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.07
_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         0.038
_reflns_number_gt                1186
_reflns_number_total             1418
_reflns_threshold_expression     I>2.0\s(I)
_cod_data_source_file            av1017.cif
_cod_data_source_block           2
_cod_original_cell_volume        663.6(8)
_cod_database_code               2007577