Crystallography Open Database

Information card for entry 4503601

Preview

Coordinates	4503601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 Ce2 Cl6 O8
Calculated formula	C8 H32 Ce2 Cl6 O8
SMILES	C[OH][Ce]1([OH]C)([OH]C)([Cl][Ce]([OH]C)([OH]C)([OH]C)([OH]C)([Cl]1)(Cl)Cl)(Cl)(Cl)[OH]C
Title of publication	Cerium Chloride−methanol Adduct Crystals, CeCl3(CH3OH)4: Preparation, Crystallography, And Scintillation Properties
Authors of publication	Chakoumakos, B. C.; Custelcean, R.; Ramey, J. O.; Kolopus, J. A.; Jin, Rongying; Neal, J. S.; Wisniewski, D. J.; Boatner, L. A.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2070
a	8.7092 ± 0.0005 Å
b	18.51 ± 0.0009 Å
c	8.2392 ± 0.0004 Å
α	90°
β	108.946 ± 0.001°
γ	90°
Cell volume	1256.26 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0141
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179571 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36.	4503601.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503601.cif
41660	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503601 via cif-deposit CGI script.	4503601.cif