Crystallography Open Database

Information card for entry 4501260

Preview

Coordinates	4501260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 Br6 Ce2 O8
Calculated formula	C8 H32 Br6 Ce2 O8
SMILES	C[OH][Ce]1([OH]C)([OH]C)([OH]C)(Br)(Br)[Br][Ce]([OH]C)([OH]C)([OH]C)([OH]C)([Br]1)(Br)Br
Title of publication	Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials
Authors of publication	Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	11
Pages of publication	5072
a	8.4166 ± 0.0004 Å
b	8.8831 ± 0.0004 Å
c	10.5541 ± 0.0005 Å
α	112.742 ± 0.001°
β	90.845 ± 0.001°
γ	107.401 ± 0.001°
Cell volume	686.77 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0311
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179543 (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 4/50/12.	4501260.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501260.cif
34830	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501260, 4501261, 4501262, 4501263, 4501264, 4501265, 4501266 via cif-deposit CGI script.	4501260.cif