Crystallography Open Database

Information card for entry 7218697

Preview

Coordinates	7218697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H12 Cs2.67 K1.33 N2 O8 Re6 S8
Calculated formula	C2 Cs2.66667 K1.34 N2 O7.70667 Re6 S8
Title of publication	NEW MIXED-LIGAND CYANOHYDROXO OCTAHEDRAL CLUSTER COMPLEX trans-[Re6S8(CN)2(OH)4]4‒, ITS LUMINESCENCE PROPERTIES AND CHEMICAL REACTIVITY
Authors of publication	Mironov, Yuri V.; Brylev, Konstantin A.; Smolentsev, Anton I.; Ermolaev, Andrey V.; Kitamura, N.; Fedorov, Vladimir E.
Journal of publication	RSC Adv.
Year of publication	2014
a	13.5676 ± 0.0013 Å
b	13.5676 ± 0.0013 Å
c	13.5676 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2497.5 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218697.cif
126587	2014-11-07	cif/ Adding structures of 7218697 via cif-deposit CGI script.	7218697.cif