Piperazinium <small>L</small>-Tartrate
Aakeröy, C. B.; Bahra, G. S.; Nieuwenhuyzen, M.; Acta Crystallographica Section C 52 (1996) 1471–1473; doi:10.1107/S0108270195016374

data_2005053
_publ_section_title
;
 Piperazinium <small>L</small>-Tartrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1471
_journal_page_last               1473
_journal_paper_doi               10.1107/S0108270195016374
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C4 H12 N2 , C4 H4 O6'
_chemical_formula_sum            'C8 H16 N2 O6'
_chemical_formula_weight         236.23
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 108.850(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4262(10)
_cell_length_b                   9.1322(10)
_cell_length_c                   9.3627(10)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5
_cell_volume                     519.98(12)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Fait, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'XP SHELXTL/PC'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0124
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1993
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.13
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.96
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.162
_refine_ls_extinction_coef       '\c = 0.177(9)'
_refine_ls_extinction_method
'F~c~^*^ = F~c~k(1+0.001\cF~c~^2^\l^3^/sin(2\q)]'
_refine_ls_goodness_of_fit_obs   1.085
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1823
_refine_ls_R_factor_obs          0.0248
_refine_ls_shift/esd_max         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;                    1/[\s^2^(F~o~^2^)+(g~1~P)^2^+g~2~P] where P =
[max(F~o~^2^,0)+2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0658
_reflns_number_observed          1796
_reflns_number_total             1823
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            pt1032.cif
_cod_data_source_block           pt1032a
_cod_original_cell_volume        519.98(11)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2005053