Crystallography Open Database

Information card for entry 4329719

Preview

Coordinates	4329719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 Ir O7 S
Calculated formula	C5 H11 Ir O7 S
SMILES	[Ir]1234(OS(=O)(=O)[O-])([OH2])([OH2])[cH]5[cH]1[cH]2[cH]3[cH]45.O
Title of publication	Comparison of Amorphous Iridium Water-Oxidation Electrocatalysts Prepared from Soluble Precursors
Authors of publication	James D. Blakemore; Nathan D. Schley; Maxwell N. Kushner-Lenhoff; Andrew M. Winter; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7749 - 7763
a	9.60384 ± 0.00017 Å
b	12.631 ± 0.0002 Å
c	15.4651 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1876.01 ± 0.14 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4329719.cif
78956	2013-04-03	cif/ Adding structures of 4329719 via cif-deposit CGI script.	4329719.cif