Crystallography Open Database

Information card for entry 1511707

Preview

Coordinates	1511707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B9 Cl9
Calculated formula	B9 Cl9
SMILES	[B]1234(Cl)[B]567(Cl)[B]189(Cl)[B]21(Cl)[B]32%10(Cl)[B]45(Cl)[B]263(Cl)[B]78(Cl)[B]93%101Cl
Title of publication	Syntheses, crystal structures, and electronic structure of the boron halides B9 X9 (X= Cl, Br, I)
Authors of publication	von Schnering, H.G.; Kellner, R.; Burkhardt, A.; Binder, H.; Wedig, U.; Grin', Yu.; Hoenle, W.; Schultheiss, M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	1997
Journal volume	133
Pages of publication	59 - 67
a	12.596 Å
b	12.596 Å
c	17.001 Å
α	90°
β	90°
γ	120°
Cell volume	2335.99 Å³
Number of distinct elements	2
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	1511707.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1511707.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1511707.cif
114540	2014-05-25	smi Adding SMILES for binary chlorine compounds.	1511707.cif
85205	2013-05-03	cif/ Adding structures of 1511707 via cif-deposit CGI script.	1511707.cif