Crystallography Open Database

Information card for entry 4325102

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Structure parameters

Formula	C20 H40 Br3 Ce O4
Calculated formula	C20 H40 Br3 Ce O4
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	22.421 ± 0.009 Å
b	9.395 ± 0.004 Å
c	16.657 ± 0.011 Å
α	90°
β	131.149 ± 0.003°
γ	90°
Cell volume	2642 ± 2 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.435
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4325102.cif
179354	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.	4325102.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325102.cif
43554	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325102 via cif-deposit CGI script.	4325102.cif