Crystallography Open Database

Information card for entry 7706534

Preview

Coordinates	7706534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cl N2 O3 P Ru
Calculated formula	C26 H22 Cl N2 O3 P Ru
SMILES	[Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2C(=O)c2[n]1cccc2)(Cl)([OH]C)C#[O]
Title of publication	Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.
Authors of publication	Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	9
Pages of publication	3269 - 3279
a	18.3088 ± 0.0008 Å
b	8.4872 ± 0.0004 Å
c	32.8245 ± 0.0016 Å
α	90°
β	101.52 ± 0.004°
γ	90°
Cell volume	4997.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263757 (current)	2021-04-05	cif/ Updating files of 7706533, 7706534, 7706535 Original log message: Adding full bibliography for 7706533--7706535.cif.	7706534.cif
261332	2021-01-31	cif/ Adding structures of 7706533, 7706534, 7706535 via cif-deposit CGI script.	7706534.cif