1<i>H</i>-Benzimidazolium hydrogen <small>L</small>-tartrate dihydrate
Aakeröy, C.B.; Hitchcock, P.B.; Acta Crystallographica Section C 50 (1994) 759–761; doi:10.1107/S0108270193014258

data_2009692
_publ_section_title
;
 1<i>H</i>-Benzimidazolium hydrogen <small>L</small>-tartrate dihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              759
_journal_page_last               761
_journal_paper_doi               10.1107/S0108270193014258
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H16 N2 O8'
_chemical_formula_sum            'C11 H16 N2 O8'
_chemical_formula_weight         304.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 110.43(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.2180(10)
_cell_length_b                   7.279(2)
_cell_length_c                   10.957(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     688.9(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1313
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.12
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_description       tablet
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.20
_refine_ls_goodness_of_fit_obs   1.6
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     237
_refine_ls_number_reflns         1113
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         0.3
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1113
_reflns_number_total             1313
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ha1071.cif
_cod_data_source_block           ha1071_structure_1_of_1
_cod_depositor_comments
;
 Correcting the space group operator list by removing the duplicate
 operators '-1-x,y-1/2,-z', '-1-x,y+1/2,-z', '-2-x,y-1/2,1-z',
 '-2-x,y+1/2,1-z'.

 Antanas Vaitkus,
 2018-01-30

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        689.0(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2009692