Crystallography Open Database

Information card for entry 7044278

Preview

Coordinates	7044278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Ru2 S4
Calculated formula	C32 H36 Ru2 S4
SMILES	c12c(cccc1)S[Ru]134567([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)[S]2[Ru]123456([c]8([cH]6[cH]5[c]4([cH]3[cH]18)C(C)C)C)[S]7c1c(cccc1)S2
Title of publication	Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands
Authors of publication	Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.3501 ± 0.0003 Å
b	11.576 ± 0.0004 Å
c	15.4298 ± 0.0005 Å
α	90°
β	93.101 ± 0.002°
γ	90°
Cell volume	1489.27 ± 0.09 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.02 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201056 (current)	2017-09-20	cif/ Adding structures of 7044276, 7044277, 7044278, 7044279 via cif-deposit CGI script.	7044278.cif