Crystallography Open Database

Information card for entry 1542366

Preview

Coordinates	1542366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Cl3 P Ru
Calculated formula	C22 H36 Cl3 P Ru
SMILES	[Ru]12345(Cl)([P](Cl)(C6CCCCC6)C6CCCCC6)(Cl)[c]6([cH]2[cH]4[c]1([cH]3[cH]56)C(C)C)C
Title of publication	Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides
Authors of publication	González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	12
Pages of publication	4398
a	7.6344 ± 0.0003 Å
b	10.5128 ± 0.0003 Å
c	15.3514 ± 0.0006 Å
α	103.182 ± 0.003°
β	92.237 ± 0.003°
γ	90.962 ± 0.003°
Cell volume	1198.29 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185088 (current)	2016-08-07	cif/ Updating files of 1542366, 1542367 Original log message: Adding full bibliography for 1542366--1542367.cif.	1542366.cif
175693	2016-02-04	cif/ Adding structures of 1542366, 1542367 via cif-deposit CGI script.	1542366.cif