Crystallography Open Database

Information card for entry 1544776

Preview

Coordinates	1544776.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RuCl(NCO)(DMSO)(Pic)
Chemical name	Ru WOCs
Formula	C41 H52 Cl8 N8 O6 Ru2 S2
Calculated formula	C41 H52 Cl8 N8 O6 Ru2 S2
Title of publication	Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand
Authors of publication	Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis
Journal of publication	Catal. Sci. Technol.
Year of publication	2017
Journal volume	7
Journal issue	2
Pages of publication	387
a	31.425 ± 0.006 Å
b	9.0156 ± 0.0018 Å
c	34.41 ± 0.005 Å
α	90°
β	147.193 ± 0.008°
γ	90°
Cell volume	5282 ± 2 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.233
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
191453 (current)	2017-02-04	cif/ Updating files of 1544776 Original log message: Adding full bibliography for 1544776.cif.	1544776.cif
189081	2016-12-13	cif/ Adding structures of 1544776 via cif-deposit CGI script.	1544776.cif