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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106303
loop_
_publ_author_name
'Dupont, L.'
_publ_section_title
;
 La structure cristalline du palladocyanure de rubidium monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              964
_journal_page_last               971
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'C4 H2 N4 O Pd Rb2'
_chemical_name_systematic        'Rb2 Pd (C N)4 H2 O'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.01
_cell_length_b                   13.74
_cell_length_c                   7.44
_cell_volume                     1023.278
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dupont_ACBCAR_1970_1780.cif
_cod_data_source_block           C4H2N4O1Pd1Rb2
_cod_original_sg_symbol_Hall     '-P 2a 2bc (y,z,x)'
_cod_original_formula_sum        'C4 H2 N4 O1 Pd1 Rb2'
_cod_database_code               2106303
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z+1/2
-x,-y,-z
x,-y,z-1/2
x-1/2,y-1/2,-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
Pd1 Pd+2 0 0 0 1 0.0
C1 C+2 0.0305 0.1414 0.5048 1 0.0
Rb2 Rb+1 0.5 0.09625 0.25 1 0.0
C2 C+2 0.2006 -0.0206 0.4724 1 0.0
Rb1 Rb+1 0.25 0.25 0.81687 1 0.0
N2 N-3 0.3075 -0.0309 0.4494 1 0.0
N1 N-3 0.0458 0.2254 0.5067 1 0.0
O1 O-2 0.25 0.25 0.2114 1 0.0
