Crystallography Open Database

Information card for entry 7126887

Preview

Coordinates	7126887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Bim2NNN)RuCl(PPh3)2]PF6
Chemical name	[(Bim2NNN)RuCl(PPh3)2]PF6
Formula	C55 H43 Cl F6 N5 P3 Ru
Calculated formula	C55 H43 Cl F6 N5 P3 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	9.9974 ± 0.0005 Å
b	38.806 ± 0.004 Å
c	13.9459 ± 0.0007 Å
α	90°
β	92.722 ± 0.005°
γ	90°
Cell volume	5404.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1516
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.2244
Weighted residual factors for all reflections included in the refinement	0.2418
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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.	7126887.cif
254255	2020-07-14	cif/ Adding structures of 7126886, 7126887 via cif-deposit CGI script.	7126887.cif