#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/09/1510984.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_1510984
loop_
_publ_author_name
'Jansen, M.'
'Jaeschke, B.'
_publ_section_title
;
 Synthese, Kristallstruktur und spektroskopische Charakterisierung der
 Phosphaniminato-Komplexe (Cl2 B N P Cl2 N P Cl3)2 und (Br2 B N P Cl3)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2000
_journal_page_last               2004
_journal_paper_doi
10.1002/1521-3749(200209)628:9/10<2000::AID-ZAAC2000>3.0.CO;2-3
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'B2 Cl14 N4 P4'
_chemical_name_systematic        '(Cl2 B N P Cl2 N P Cl3)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                 107.32
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.615
_cell_length_b                   8.308
_cell_length_c                   15.17
_cell_volume                     1156.854
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_68.cif
_cod_data_source_block           B2Cl14N4P4
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1510984
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
B1 B+3 0.0841 0.427 0.4842 1 0.0
Cl1 Cl-1 0.1357 0.677 0.13785 1 0.0
Cl7 Cl-1 0.05836 0.21745 0.44077 1 0.0
Cl6 Cl-1 0.2725 0.49356 0.49458 1 0.0
Cl5 Cl-1 -0.26856 0.67881 0.27887 1 0.0
Cl3 Cl-1 0.06297 0.3125 0.13268 1 0.0
Cl2 Cl-1 -0.18724 0.5628 0.07439 1 0.0
N1 N-3 -0.0018 0.5202 0.26626 1 0.0
P1 P+5 0.00148 0.52351 0.16574 1 0.0
Cl4 Cl-1 0.03305 0.84419 0.34332 1 0.0
N2 N-3 -0.0359 0.5427 0.42889 1 0.0
P2 P+5 -0.05996 0.62687 0.33378 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040897
