Structure of sodium hydrogen succinate at 123 K
Mallinson, P. R.; Frampton, C. S.; Acta Crystallographica Section C 48 (1992) 1555–1556; doi:10.1107/S0108270192006310

data_2000725
_publ_contact_author
;
  Dr. Paul R. Mallinson
  Chemistry Department
  University of Glasgow
  Glasgow G12 8QQ
  U.K.
;
_publ_section_title
;
 Structure of sodium hydrogen succinate at 123 K
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1555
_journal_page_last               1556
_journal_paper_doi               10.1107/S0108270192006310
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C4 H5 Na O4'
_chemical_formula_sum            'C4 H5 Na O4'
_chemical_formula_weight         140.07
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
;
   International Tables for X-ray Crystallography
   (1974, Vol. IV, Tables 2.2B and 2.3.1)
;
_cell_angle_alpha                90
_cell_angle_beta                 117.270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8710(10)
_cell_length_b                   10.2560(10)
_cell_length_c                   7.3450(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    123
_cell_measurement_theta_max      16.9
_cell_measurement_theta_min      13.1
_cell_volume                     593.98(13)
_diffrn_measurement_device       'Enraf-Nonius CAD4 diffractometer'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0119
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6938
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_description       prism
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.20
_refine_ls_goodness_of_fit_obs   2.29
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         2555
_refine_ls_R_factor_obs          0.0276
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma w=1/[\s^2^(F)]'
_refine_ls_wR_factor_obs         0.0363
_reflns_number_observed          2555
_reflns_number_total             3113
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            mu1014.cif
_cod_data_source_block           default
_cod_original_cell_volume        593.9(2)
_cod_database_code               2000725