Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate
Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.; Acta Crystallographica Section C 56 (2000) 1132–1135; doi:10.1107/S0108270100008015

data_2011382
_publ_section_title
;
 Two anilinium salts: anilinium hydrogenphosphite and anilinium
 hydrogenoxalate hemihydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1132
_journal_page_last               1135
_journal_paper_doi               10.1107/S0108270100008015
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C6 H8 N +, H C2 O4 -, 0.5H2 O'
_chemical_formula_sum            'C8 H10 N O4.5'
_chemical_formula_weight         192.17
_chemical_name_systematic
;
  Anilinium hydrogenoxalate monohydrate
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.340(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.9825(19)
_cell_length_b                   5.7253(14)
_cell_length_c                   13.891(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16.26
_cell_measurement_theta_min      11.43
_cell_volume                     1799.7(5)
_computing_cell_refinement       'CAD-4 software'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method       'profile data from \w-2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0050
_diffrn_reflns_av_sigmaI/netI    .0084
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2189
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        1.7
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .117
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             808
_exptl_crystal_size_max          .49
_exptl_crystal_size_mid          .48
_exptl_crystal_size_min          .29
_refine_diff_density_max         .305
_refine_diff_density_min         -.161
_refine_ls_extinction_coef       .0211(14)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          .0451
_refine_ls_R_factor_gt           .0341
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0529P)^2^+0.8427P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1007
_reflns_number_gt                1735
_reflns_number_total             2062
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1377.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011382
_cod_database_fobs_code          2011382