Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}
Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.; Acta Crystallographica Section C 51 (1995) 498–500; doi:10.1107/S0108270194009157

data_2003261
_publ_section_title
;
 Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and
 Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              498
_journal_page_last               500
_journal_paper_doi               10.1107/S0108270194009157
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'from CH~2~Cl~2~/Et~2~O'
_chemical_formula_moiety         'C14 H16 Br1 P1'
_chemical_formula_sum            'C14 H16 Br P'
_chemical_formula_weight         295.158
_space_group_IT_number           179
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65 2 (0 0 1)'
_symmetry_space_group_name_H-M   'P 65 2 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   11.603(2)
_cell_length_b                   11.603(2)
_cell_length_c                   17.968(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12.5
_cell_volume                     2094.9(8)
_diffrn_measurement_device       R3m/E
_diffrn_measurement_method       Wyckoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2464
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.00
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.40
_exptl_crystal_description       'thin needles'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.39
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.02
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     74
_refine_ls_number_reflns         757
_refine_ls_R_factor_obs          0.0390
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.00100F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0464
_reflns_number_observed          757
_reflns_number_total             924
_reflns_observed_criterion       F~o~^2^>2\s(F~o~)^2^
_cod_data_source_file            hr1009.cif
_cod_data_source_block           hr1009b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 1/[\s^2^(F~o~) +
0.00100F~o~^2^]' 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~o~) + 0.00100F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2094.9(9)
_cod_original_formula_sum        'C14 H16 Br1 P1'
_cod_database_code               2003261