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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/4/03/13/4031374.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_4031374
loop_
_publ_author_name
'Barrow, M.J.'
'Ebsworth, E.A.V.'
'Harding, M.M.'
'Henderson, S.G.D.'
_publ_section_title
;
 Crystal and molecular structure of Bis(difluorophosphino)amine at -110 C
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1192
_journal_page_last               1195
_journal_volume                  1979
_journal_year                    1979
_chemical_formula_sum            'F4 H N P2'
_chemical_name_systematic        'N H (P F2)2'
_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                 98.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.69
_cell_length_b                   4.72
_cell_length_c                   12.08
_cell_volume                     490.293
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Barrow_JCDTBI_1979_819.cif
_cod_data_source_block           H1F4N1P2
_cod_original_cell_volume        490.2931
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 F4 N1 P2'
_cod_database_code               4031374
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
P2 P+3 0.44177 0.6441 0.16136 1 0.0
F2 F-1 0.7418 0.6421 0.4301 1 0.0
H1 H+1 0.448 0.677 0.352 1 0.0
N1 N-3 0.4941 0.6075 0.2996 1 0.0
F4 F-1 0.4183 0.974 0.1563 1 0.0
P1 P+3 0.649 0.4175 0.35 1 0.0
F1 F-1 0.58 0.2522 0.4459 1 0.0
F3 F-1 0.2635 0.5683 0.1536 1 0.0
