Crystallography Open Database

Information card for entry 7703332

Preview

Coordinates	7703332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Cl2 F6 N8 O9 Ru2 S2
Calculated formula	C42 H52 Cl2 F6 N8 O9 Ru2 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	13.3854 ± 0.0004 Å
b	14.8258 ± 0.0005 Å
c	16.1157 ± 0.0012 Å
α	106.164 ± 0.005°
β	98.769 ± 0.004°
γ	116.609 ± 0.003°
Cell volume	2599.4 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
248954 (current)	2020-03-05	cif/ Updating files of 7703329, 7703330, 7703331, 7703332 Original log message: Adding full bibliography for 7703329--7703332.cif.	7703332.cif
247072	2020-01-22	cif/ Adding structures of 7703329, 7703330, 7703331, 7703332 via cif-deposit CGI script.	7703332.cif