Crystallography Open Database

Information card for entry 1566663

Preview

Coordinates	1566663.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))
Formula	C36 H37 K N3 O3 P2 Ru S
Calculated formula	C36 H37 K N3 O3 P2 Ru S
Title of publication	Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation
Authors of publication	Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	9
Pages of publication	2972 - 2977
a	12.6529 ± 0.0005 Å
b	18.7504 ± 0.0006 Å
c	15.5836 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3697.2 ± 0.2 Å³
Cell temperature	104.9 K
Ambient diffraction temperature	104.9 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275779 (current)	2022-06-06	cif/ Updating files of 1566663, 1566664, 1566665 Original log message: Adding full bibliography for 1566663--1566665.cif.	1566663.cif
273870	2022-03-22	cif/ Adding structures of 1566663, 1566664, 1566665 via cif-deposit CGI script.	1566663.cif