Crystallography Open Database

Information card for entry 4501264

Preview

Coordinates	4501264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br3 Ce O3
Calculated formula	C6 H18 Br3 Ce O3
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	22.321 ± 0.0017 Å
b	9.2553 ± 0.0007 Å
c	14.2247 ± 0.0011 Å
α	90°
β	96.847 ± 0.001°
γ	90°
Cell volume	2917.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0298
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4501264.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501264.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.	4501264.cif