#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/07/1510783.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_1510783
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 Br4 Cl6 N2 P2'
_chemical_name_systematic        '(Br2 B N P Cl3)2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3493
_cell_length_b                   11.8955
_cell_length_c                   10.2642
_cell_volume                     1629.920
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_28.cif
_cod_data_source_block           B2Br4Cl6N2P2
_cod_original_cell_volume        1629.92
_cod_database_code               1510783
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-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 0.4177 0 0 1 0.0
Br1 Br-1 0.33265 0.13554 0.02178 1 0.0
N1 N-3 0.5 -0.0123 0.1061 1 0.0
P1 P+5 0.5 -0.00085 0.25664 1 0.0
Cl2 Cl-1 0.5 0.152 0.3286 1 0.0
Cl1 Cl-1 0.38134 -0.07223 0.33275 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040884
