Crystallography Open Database

Information card for entry 4336404

Preview

Coordinates	4336404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Ce6 N2 O46.5
Calculated formula	C10 H14 Ce6 N2 O46.5
Title of publication	Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes
Authors of publication	Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11734 - 11743
a	12.3326 ± 0.001 Å
b	19.5209 ± 0.0016 Å
c	18.926 ± 0.0016 Å
α	90°
β	108.313 ± 0.004°
γ	90°
Cell volume	4325.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0604
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336404.cif
102395	2014-02-20	cif/ Adding structures of 4336404 via cif-deposit CGI script.	4336404.cif