Tetraphenylphosphonium hydrogen oxalate
Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.; Acta Crystallographica Section E 64 (2008) o243–o243; doi:10.1107/S160053680706463X

data_2217188
_publ_section_title
;
 Tetraphenylphosphonium hydrogen oxalate
;
_journal_coeditor_code           LN2012
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o243
_journal_page_last               o243
_journal_paper_doi               10.1107/S160053680706463X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C24 H20 P +, C2 H O4 -'
_chemical_formula_moiety         'C24 H20 P +, C2 H O4 -'
_chemical_formula_sum            'C26 H21 O4 P'
_chemical_formula_weight         428.4
_chemical_name_systematic
;
Tetraphenylphosphonium hydrogen oxalate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.49(3)
_cell_angle_beta                 88.37(2)
_cell_angle_gamma                75.13(3)
_cell_formula_units_Z            4
_cell_length_a                   9.517(5)
_cell_length_b                   10.860(7)
_cell_length_c                   22.032(9)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     2156(2)
_computing_cell_refinement       CAD-4
_computing_data_collection       'CAD-4 (Schagen <i>et al</i>., 1989)'
_computing_data_reduction        'Local program'
_computing_molecular_graphics
;
ORTEPII (Johnson, 1976) and CrystalMaker (CrystalMaker Software,
2005)
;
_computing_publication_material  'Local programs'
_computing_structure_refinement  'RAELS (Rae, 2000)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            8001
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             896.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.35
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     367
_refine_ls_number_reflns         4017
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.049
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.053
_reflns_number_gt                4017
_reflns_number_total             7564
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln2012.cif
_cod_data_source_block           I
_cod_database_code               2217188