Crystallography Open Database

Information card for entry 7039533

Preview

Coordinates	7039533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H50 Cl F6 N3 O P3 Ru
Calculated formula	C62 H50 Cl F6 N3 O P3 Ru
Title of publication	Optimum bifunctionality in a 2-(2-pyridyl-2-ol)-1,10-phenanthroline based ruthenium complex for transfer hydrogenation of ketones and nitriles: impact of the number of 2-hydroxypyridine fragments.
Authors of publication	Paul, Bhaskar; Chakrabarti, Kaushik; Kundu, Sabuj
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	11162 - 11171
a	10.058 ± 0.005 Å
b	23.924 ± 0.005 Å
c	22.914 ± 0.005 Å
α	90°
β	98.455 ± 0.005°
γ	90°
Cell volume	5454 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0896
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185395 (current)	2016-08-07	cif/ Updating files of 7039532, 7039533 Original log message: Adding full bibliography for 7039532--7039533.cif.	7039533.cif
183513	2016-06-16	cif/ Adding structures of 7039532, 7039533 via cif-deposit CGI script.	7039533.cif