Tetraphenylarsonium iodide, a new determination
Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.; Acta Crystallographica Section C 59 (2003) m484–m486; doi:10.1107/S0108270103022650

data_2013598
_publ_section_title
;
 Tetraphenylarsonium iodide, a new determination
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m484
_journal_page_last               m486
_journal_paper_doi               10.1107/S0108270103022650
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[As(C6 H5)4] I'
_chemical_formula_moiety         'C24 H20 As + , I -'
_chemical_formula_sum            'C24 H20 As I'
_chemical_formula_weight         510.3
_chemical_name_systematic
;
tetraphenylarsonium iodide
;
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   6.885(2)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      15
_cell_measurement_theta_min      13
_cell_volume                     1020.4(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'local program'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and CrystalMaker (Palmer, 2003)'
_computing_publication_material  'local programs'
_computing_structure_refinement  'RAELS (Rae, 2000)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
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_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       14
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_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    3.161
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(De Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_meas      1.66
_exptl_crystal_density_method    'flotation in what'
_exptl_crystal_description       prism
_exptl_crystal_F_000             500.0
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.54
_refine_ls_abs_structure_details 'Anomalous scattering'
_refine_ls_abs_structure_Flack   0.13(3)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          0.001
_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         0.030
_reflns_number_gt                499
_reflns_number_total             532
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ga1032.cif
_cod_data_source_block           I
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