Ammonium Hydrogen Tartronate
Taka, Jun-ichiro; Ogino, Shinya; Kashino, Setsuo; Acta Crystallographica Section C 54 (1998) 384–386; doi:10.1107/S0108270197015126

data_2007049
_publ_section_title
;
 Ammonium Hydrogen Tartronate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              384
_journal_page_last               386
_journal_paper_doi               10.1107/S0108270197015126
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'N H4 + , (C3 H3 O5) -'
_chemical_formula_moiety         'N H4 + , (C3 H3 O5) -'
_chemical_formula_sum            'C3 H7 N O5'
_chemical_formula_weight         137.09
_chemical_name_systematic        ' Ammonium hydrogen hydroxypropanedioate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 91.730(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.3226(6)
_cell_length_b                   9.073(2)
_cell_length_c                   14.284(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9.5
_cell_volume                     559.95(17)
_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  0.012
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            1456
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.158
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.30
_refine_ls_extinction_coef       0.328E-5
_refine_ls_extinction_method     'I~corr~ = I~o~(1+gI~c~)'
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     111
_refine_ls_number_reflns         1110
_refine_ls_R_factor_gt           0.066
_refine_ls_shift/su_max          0.05
_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         0.055
_reflns_number_gt                1110
_reflns_number_total             1293
_reflns_threshold_expression     I>0.5\s(I)
_cod_data_source_file            ab1514.cif
_cod_data_source_block           I
_cod_original_cell_volume        560.0(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2007049