Crystallography Open Database

Information card for entry 7703331

Preview

Coordinates	7703331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 F6 N8 O6 Ru S2
Calculated formula	C21 H26 F6 N8 O6 Ru S2
Title of publication	Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O<sub>2</sub> as terminal oxidant.
Authors of publication	Olivares, Marta; Knörr, Pascal; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1981 - 1991
a	11.2395 ± 0.0001 Å
b	12.4783 ± 0.0001 Å
c	12.5536 ± 0.0001 Å
α	69.862 ± 0.001°
β	87.934 ± 0.001°
γ	69.49 ± 0.001°
Cell volume	1541.05 ± 0.03 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248954 (current)	2020-03-05	cif/ Updating files of 7703329, 7703330, 7703331, 7703332 Original log message: Adding full bibliography for 7703329--7703332.cif.	7703331.cif
247072	2020-01-22	cif/ Adding structures of 7703329, 7703330, 7703331, 7703332 via cif-deposit CGI script.	7703331.cif