#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003442.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_2003442
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year         1995
_journal_page_first    	798
_journal_page_last    	800
_publ_section_title
;
Hydroxylammonium Sulfate
;
_chemical_formula_moiety    	'H8 N2 O6 S1'
_chemical_formula_sum    	'H8 N2 O6 S1'
_chemical_formula_weight    	164.14
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    	7.932(2)
_cell_length_b    	7.321(2)
_cell_length_c    	10.403(3)
_cell_angle_alpha    	90.
_cell_angle_beta    	106.93(3)
_cell_angle_gamma    	90.
_cell_volume    	577.9(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.886
_exptl_crystal_density_meas    	1.90(1)
_exptl_crystal_density_method    	'flotation'
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	45
_cell_measurement_theta_min    	10
_cell_measurement_theta_max    	13
_exptl_absorpt_coefficient_mu    	0.510
_cell_measurement_temperature    	293(1)
_exptl_crystal_description    	'approximately prismatic'
_exptl_crystal_size_max    	0.50
_exptl_crystal_size_mid    	0.41
_exptl_crystal_size_min    	0.33
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'colourless'
_chemical_compound_source
; recrystallization of the commercial product
;
_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    	4180
_reflns_number_total    	1688
_reflns_number_observed    	1520
_reflns_observed_criterion    	I>2.5\s(I)
_diffrn_reflns_av_R_equivalents    	0.026
_diffrn_reflns_theta_max    	30
_diffrn_reflns_limit_h_min    	-11
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	-10
_diffrn_reflns_limit_k_max    	10
_diffrn_reflns_limit_l_min    	-14
_diffrn_reflns_limit_l_max    	14
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	165
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	1.09
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.026
_refine_ls_wR_factor_obs    	0.026
_refine_ls_goodness_of_fit_obs    	0.363
_refine_ls_number_reflns    	1578
_refine_ls_number_parameters    	115
_refine_ls_hydrogen_treatment    	'refall'
_refine_ls_weighting_scheme    	'Weighting scheme: empirical'
_refine_ls_shift/esd_max    	0.181
_refine_diff_density_max    	0.24
_refine_diff_density_min    	-0.52
_refine_ls_extinction_method    	'Larson (1967)'
_refine_ls_extinction_coef    	'g = 2.9(3)'
_atom_type_scat_source    	'Cromer & Mann (1968)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    S .27308(2) .19217(3) .08728(2) 0.01704(6)
    O(1) .2982(1) .1238(1) -.03936(7) 0.0268(2)
    O(2) .4145(1) .3233(1) .15036(8) 0.0287(2)
    O(3) .2766(1) .0401(1) .18056(8) 0.0287(2)
    O(4) .0992(1) .2841(1) .05753(7) 0.0279(2)
    O(5) .9127 .1888(1) .30823(8) 0.0269(2)
    N(1) .9616(1) .0244(1) .25810(8) 0.0228(2)
    O(6) .6916(1) .3230(2) .04715(8) 0.0371(3)
    N(2) .5909(1) .2880(1) -.08644(8) 0.0240(2)
    H(1) .966(3) -.063(3) .312(2) 0.030(4)
    H(2) 1.065(3) .037(3) .245(2) 0.035(4)
    H(3) .878(3) .003(3) .182(2) 0.037(4)
    H(4) .977(3) .192(3) .388(2) 0.035(4)
    H(5) .641(3) .212(3) -.118(2) 0.031(4)
    H(6) .495(3) .247(3) -.089(2) 0.034(4)
    H(7) .580(3) .388(3) -.129(2) 0.035(4)
    H(8) .612(4) .318(4) .088(3) 0.052(6)