Crystallography Open Database

Information card for entry 4325101

Preview

Coordinates	4325101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 Br3 Ce N5
Calculated formula	C25 H23 Br3 Ce N5
SMILES	[Ce]1(Br)(Br)(Br)([n]2ccccc2c2[n]1cccc2)([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	16.77 ± 0.004 Å
b	9.657 ± 0.002 Å
c	17.881 ± 0.004 Å
α	90°
β	115.304 ± 0.002°
γ	90°
Cell volume	2617.9 ± 1 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4325101.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325101.cif
43553	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325101 via cif-deposit CGI script.	4325101.cif