Crystallography Open Database

Information card for entry 7018072

Preview

Coordinates	7018072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Br3 Ce O4
Calculated formula	C10 H22 Br3 Ce O5
SMILES	[Ce]1234(Br)(Br)(Br)[O](C)CC[O]1CC[O]2CC[O]3CC[O]4C
Title of publication	Ionic liquid mediated routes to polydentate oxygen-donor adducts of cerium(iii) bromide.
Authors of publication	Vasudevan, Kalyan V.; Smith, Nickolaus A.; Scott, Brian L.; Bennett, Bryan L.; Muenchausen, Ross E.; Gordon, John C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	7
Pages of publication	1924 - 1927
a	7.493 ± 0.002 Å
b	19.263 ± 0.005 Å
c	12.71 ± 0.003 Å
α	90°
β	103.926 ± 0.003°
γ	90°
Cell volume	1780.6 ± 0.8 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	0.0544
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018072.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018072.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018072.cif
33583	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018069, 7018070, 7018071, 7018072 via cif-deposit CGI script.	7018072.cif