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#$Date: 2016-09-16 18:09:56 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/88/1528890.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_1528890
loop_
_publ_author_name
'Spinnler, M.A.'
'Becka, L.N.'
_publ_section_title
;
 The crystal structure of sulphitotriamminepalladium(II)
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1194
_journal_page_last               1199
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'H9 N3 O3 Pd S'
_chemical_name_systematic        '(Pd (N H3)3) (S O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.05
_cell_length_b                   6.96
_cell_length_c                   7.84
_cell_volume                     602.591
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Spinnler_JCSIAP_1967_360.cif
_cod_data_source_block           H9N3O3Pd1S1
_cod_original_cell_volume        602.5914
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H9 N3 O3 Pd1 S1'
_cod_database_code               1528890
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O3 O-2 0.1684 0.1097 0.4657 1 0.0 0
N3 N-3 0.422 0.277 0.2653 1 0.0 3
O2 O-2 0.193 0.4457 0.3907 1 0.0 0
S1 S+4 0.2253 0.2935 0.5229 1 0.0 0
N2 N-3 0.4227 0.2559 0.7998 1 0.0 3
Pd1 Pd+2 0.4277 0.2645 0.5389 1 0.0 0
O1 O-2 0.1746 0.3446 0.6891 1 0.0 0
N1 N-3 0.6161 0.2271 0.5537 1 0.0 3
