Crystallography Open Database

Information card for entry 1566664

Preview

Coordinates	1566664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H83 N6 O3 P6 Ru2
Calculated formula	C100 H83 N6 O3 P6 Ru2
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	14.8971 ± 0.0003 Å
b	22.753 ± 0.0004 Å
c	28.6172 ± 0.0004 Å
α	90°
β	100.332 ± 0.0006°
γ	90°
Cell volume	9542.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1566664.cif
273870	2022-03-22	cif/ Adding structures of 1566663, 1566664, 1566665 via cif-deposit CGI script.	1566664.cif