Crystallography Open Database

Information card for entry 7126886

Preview

Coordinates	7126886.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(tBu2NNN)RuCl2(PPh3)
Chemical name	(tBu2NNN)RuCl2(PPh3)
Formula	C35 H42 Cl6 N3 P Ru
Calculated formula	C35 H42 Cl6 N3 P Ru
Title of publication	Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.
Authors of publication	Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	68
Pages of publication	9886 - 9889
a	16.093 ± 0.004 Å
b	20.363 ± 0.005 Å
c	23.088 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7566 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2603
Residual factor for significantly intense reflections	0.1091
Weighted residual factors for significantly intense reflections	0.2416
Weighted residual factors for all reflections included in the refinement	0.3385
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
256018 (current)	2020-09-06	cif/ Updating files of 7126886, 7126887 Original log message: Adding full bibliography for 7126886--7126887.cif.	7126886.cif
254255	2020-07-14	cif/ Adding structures of 7126886, 7126887 via cif-deposit CGI script.	7126886.cif