Crystallography Open Database

Information card for entry 4310564

Preview

Coordinates	4310564.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CeBr3(thf)4]
Formula	C16 H32 Br3 Ce O4
Calculated formula	C16 H32 Br3 Ce O4
SMILES	[Ce](Br)(Br)(Br)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides
Authors of publication	Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1031 - 1038
a	8.2536 ± 0.0007 Å
b	9.4157 ± 0.0005 Å
c	15.5935 ± 0.0014 Å
α	79.009 ± 0.005°
β	87.29 ± 0.003°
γ	74.835 ± 0.005°
Cell volume	1148.17 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
179144 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05.	4310564.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310564.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310564.cif
2052	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310564 via cif-deposit CGI script.	4310564.cif