#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2003651.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2003651
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume    	C51
_journal_page_first    	1359
_journal_page_last    	1361
_publ_section_title    	
;
Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^-^
;
_chemical_formula_moiety    	'C6 H9 F1 N1 O3 P1'
_chemical_formula_sum    	'C6 H9 F1 N1 O3 P1'
_chemical_formula_weight    	193.12
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	9.418(6)
_cell_length_b    	14.31(1)
_cell_length_c    	6.303(7)
_cell_angle_alpha    	90.
_cell_angle_beta    	92.45(7)
_cell_angle_gamma    	90.
_cell_volume    	848.7(12)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.51
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	4
_cell_measurement_theta_max    	18
_exptl_absorpt_coefficient_mu    	0.299
_cell_measurement_temperature    	295
_exptl_crystal_description    	'needle'
_exptl_crystal_size_max    	0.69
_exptl_crystal_size_mid    	0.11
_exptl_crystal_size_min    	0.10
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'brown'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	2636
_reflns_number_total    	2505
_reflns_number_observed    	779
_reflns_observed_criterion    	I>2\s(I)
_diffrn_reflns_av_R_equivalents    	0.042
_diffrn_reflns_theta_max    	30
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	13
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	20
_diffrn_reflns_limit_l_min    	-8
_diffrn_reflns_limit_l_max    	8
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	90
_diffrn_standards_decay_%    	-0.1
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.046
_refine_ls_wR_factor_obs    	0.049
_refine_ls_goodness_of_fit_obs    	1.165
_refine_ls_number_reflns    	779
_refine_ls_number_parameters    	137
_refine_ls_hydrogen_treatment    	'refxyz'
_refine_ls_weighting_scheme    	
;w = 4F~o~^2^/[\s^2^(F~o~^2^) + (0.05F~o~^2^)^2^]
;
_refine_ls_shift/esd_max    	<0.04
_refine_diff_density_max    	0.52
_refine_diff_density_min    	-0.05
_refine_ls_extinction_method    	'Stout & Jensen (1968)'
_refine_ls_extinction_coef    	2.9E-7(1)
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    P .8922(1) .3748(1) .5420(2) 3.00(2)
    F .0010(3) .2975(2) .4924(5) 5.77(8)
    O(1) .9628(4) .4258(3) .7369(5) 4.06(8)
    O(2) .7621(3) .3265(2) .6080(5) 3.55(8)
    O(3) .8787(4) .4359(3) .3512(5) 4.00(8)
    N .3053(4) .8568(3) .4651(6) 3.08(9)
    C(1) .4599(5) .8706(4) .4438(7) 2.9(1)
    C(2) .5076(5) .9042(4) .2563(8) 3.7(1)
    C(3) .6525(6) .9130(5) .2343(8) 4.8(1)
    C(4) .7467(5) .8867(4) .3994(9) 4.8(1)
    C(5) .6969(6) .8521(4) .5851(9) 4.6(1)
    C(6) .5519(5) .8448(4) .6094(8) 3.8(1)
    H(1) .022(6) .473(4) .698(8) 4.0
    H(2) .439(6) .921(4) .141(8) 4.0
    H(3) .698(6) .937(4) .107(8) 4.0
    H(4) .852(6) .889(4) .386(8) 4.0
    H(5) .769(6) .834(4) .710(8) 4.0
    H(6) .525(6) .821(4) .738(8) 4.0
    H(7) .258(6) .890(4) .373(8) 4.0
    H(8) .274(5) .864(4) .598(2) 4.0
    H(9) .272(6) .783(4) .431(9) 4.0