#------------------------------------------------------------------------------
#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/08/2100853.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_2100853
loop_
_publ_author_name
'Belaj, F.'
_publ_section_title
;
 Structures and electron density distributions of
 [Cl-P(NPCl~3~)~3~]^+^.Cl^{-^} and
 [Cl-P(NPCl~3~)~3~]^+^.PCl~6~^{-^}.1/2C~2~H~2~Cl~4~ at 100 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              598
_journal_page_last               604
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl11 N3 P4'
_chemical_formula_weight         555.9
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.6000(10)
_cell_length_b                   10.6000(10)
_cell_length_c                   14.167(2)
_cell_volume                     1378.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.00
_exptl_crystal_density_diffrn    2.009
_exptl_crystal_F_000             804
_[local]_cod_data_source_file    se0086.cif
_[local]_cod_data_source_block   se0086a
_cod_database_code               2100853
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cl(1) .0 .0 .76696(10) .0211(4)
P(1) .0 .0 .62536(10) .0128(4)
N(1) .1610(2) .0535(2) .58924(17) .0156(10)
P(2) .31157(6) .18861(6) .60756(8) .0141(3)
Cl(2) .44498(6) .21421(7) .50370(8) .0218(3)
Cl(3) .31640(7) .37589(7) .62086(9) .0227(3)
Cl(4) .40843(8) .17343(8) .72341(9) .0261(4)
Cl(5) .0 .0 .0 .0165(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cl(1) P(1) 2.006(2)
Cl(2) P(2) 1.9630(10)
Cl(3) P(2) 1.9690(10)
Cl(4) P(2) 1.985(2)
P(1) N(1) 1.590(3)
P(2) N(1) 1.543(2)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cl(1) P(1) N(1) 108.80(10)
N(1) P(1) N(1) 110.20(10)
N(1) P(2) Cl(2) 110.00(10)
N(1) P(2) Cl(3) 116.50(10)
N(1) P(2) Cl(4) 113.60(10)
Cl(2) P(2) Cl(3) 106.17(5)
Cl(2) P(2) Cl(4) 105.36(5)
Cl(3) P(2) Cl(4) 104.41(6)
P(1) N(1) P(2) 134.8(2)
_journal_paper_doi 10.1107/S010876819200363X