Crystallography Open Database

Information card for entry 4329718

Preview

Coordinates	4329718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H19 Ir O7 S3
Calculated formula	C9 H19 Ir O7 S3
SMILES	[Ir]1234([S](=O)(C)C)([S](=O)(C)C)(OS(=O)(=O)[O-])[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	11.98 ± 0.006 Å
b	10.242 ± 0.005 Å
c	12.552 ± 0.006 Å
α	90°
β	99.646 ± 0.008°
γ	90°
Cell volume	1518.3 ± 1.3 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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 significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71075 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.	4329718.cif
78955	2013-04-03	cif/ Adding structures of 4329718 via cif-deposit CGI script.	4329718.cif