Crystallography Open Database

Information card for entry 4325100

Preview

Coordinates	4325100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Br3 Ce N6
Calculated formula	C12 H18 Br3 Ce N6
SMILES	[Ce](Br)(Br)(Br)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.N#CC
Title of publication	An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates
Authors of publication	Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4627 - 4631
a	8.8 ± 0.002 Å
b	13.25 ± 0.003 Å
c	18.628 ± 0.005 Å
α	90°
β	95.13 ± 0.002°
γ	90°
Cell volume	2163.3 ± 0.9 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179354 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325100.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325100.cif
43552	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325100 via cif-deposit CGI script.	4325100.cif