Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}
Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.; Acta Crystallographica Section C 51 (1995) 1359–1361; doi:10.1107/S010827019401214X

data_2003651
_publ_section_title
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 Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1359
_journal_page_last               1361
_journal_paper_doi               10.1107/S010827019401214X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C6 H9 F1 N1 O3 P1'
_chemical_formula_sum            'C6 H9 F N O3 P'
_chemical_formula_weight         193.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 92.45(7)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.418(6)
_cell_length_b                   14.31(1)
_cell_length_c                   6.303(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18
_cell_measurement_theta_min      4
_cell_volume                     848.7(12)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2636
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        -0.1
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.299
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.51
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.05
_refine_ls_extinction_coef       2.9E-7(1)
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.165
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     137
_refine_ls_number_reflns         779
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         <0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 4F~o~^2^/[\s^2^(F~o~^2^) + (0.05F~o~^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          779
_reflns_number_total             2505
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            du1082.cif
_cod_data_source_block           du1082a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F~o~^2^/[\s^2^(F~o~^2^) +
(0.05F~o~^2^)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4F~o~^2^/[\s^2^(F~o~^2^) + (0.05F~o~^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H9 F1 N1 O3 P1'
_cod_database_code               2003651