Crystallography Open Database

Information card for entry 4325103

Preview

Coordinates	4325103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Br3 Ce N4
Calculated formula	C20 H20 Br3 Ce N4
SMILES	[Ce](Br)(Br)(Br)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
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	17.1142 ± 0.0011 Å
b	17.2768 ± 0.0011 Å
c	32.582 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9633.8 ± 1.1 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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.	4325103.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325103.cif
43555	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325103 via cif-deposit CGI script.	4325103.cif