#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000404.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_2000404
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2254
_journal_page_last  2255
loop_
_publ_author_name
 'Zak, Z.'
 'Ruzicka, A.'
_chemical_formula_moiety  'K1 Se1 O3 N1 H2'
_chemical_formula_sum  'H2 K1 N1 O3 Se1'
_chemical_formula_weight  182.1
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
 +x,+y,+z
 -x,1/2+y,1/2-z
 x,1/2-y,1/2+z
_cell_length_a  8.075(2)
_cell_length_b  7.3060(10)
_cell_length_c  7.533(2)
_cell_angle_alpha  90.
_cell_angle_beta  96.65(2)
_cell_angle_gamma  90.
_cell_volume  441.40(10)
_cell_formula_units_Z  4
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  8.25
_cell_measurement_theta_max  14.6
_cell_measurement_temperature  298
_exptl_crystal_description  'Regular prisms'
_exptl_crystal_colour  'Colourless'
_exptl_crystal_size_max  ?
_exptl_crystal_size_mid  ?
_exptl_crystal_size_min  ?
_exptl_crystal_size_rad  0.22
_exptl_crystal_density_diffrn  2.740
_exptl_crystal_density_meas  2.706
_exptl_absorpt_coefficient_mu  9.23
_exptl_absorpt_correction_type  'sphere'
_exptl_absorpt_correction_T_min  0.071
_exptl_absorpt_correction_T_max  0.117
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength  0.71069
_diffrn_measurement_device  'KUMA KM-4'
_diffrn_measurement_method  '\q-2\q'
_diffrn_reflns_number  3042
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_theta_max  40
_diffrn_reflns_limit_h_min  -14
_diffrn_reflns_limit_h_max  14
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  13
_diffrn_reflns_limit_l_min  0
_diffrn_reflns_limit_l_max  13
_diffrn_standards_number  2
_diffrn_standards_interval_count  '50'
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%  '5, 3'
_reflns_number_total  2719
_reflns_number_observed  1960
_reflns_observed_criterion  |F~o~|>3.92\s(F~o~)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  '0.065 all; 0.035 obs.'
_refine_ls_wR_factor_obs  '0.064 all; 0.059 obs.'
_refine_ls_goodness_of_fit_obs  1.30
_refine_ls_number_reflns  1960
_refine_ls_number_parameters  55
_refine_ls_hydrogen_treatment  'noref'
_refine_ls_weighting_scheme  '[\s^2^ + (0.04|F~o~|)^2^]^-1^'
_refine_ls_shift/esd_max  0.02
_refine_diff_density_max  2.1
_refine_diff_density_min  -0.8
_refine_ls_extinction_method  ?
_refine_ls_extinction_coef  ?
_atom_type_scat_source  'XTL (Syntex, 1971)'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 K .35300(10)
      -.37510(10)
       .11450(10)
 Se .25081(3) .10687(3) .09533(3)
 O(1) .2736(4) -.0396(3) .2593(3)
 O(2) .4106(3) .2415(3) .0967(3)
 O(3) .2050(3) -.0020(3) -.0935(3)
 N .0762(3) .2566(3) .1060(4)
 H(1) -.0203 .1887 .1251
 H(2) .0938 .3125 .2188