Crystallography Open Database

Information card for entry 7021078

Preview

Coordinates	7021078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H97 Mo12 N2 O54.5 S12
Calculated formula	C18 H32 Mo12 N2 O54.5 S12
Title of publication	Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.
Authors of publication	Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	14
Pages of publication	4848 - 4858
a	38.4762 ± 0.0007 Å
b	38.4762 ± 0.0007 Å
c	11.353 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16807.2 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021078.cif
86025	2013-05-09	cif/ Adding structures of 7021078, 7021079 via cif-deposit CGI script.	7021078.cif