Crystallography Open Database

Information card for entry 4085725

Preview

Coordinates	4085725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 O4 P2 Ru
Calculated formula	C22 H30 Cl2 O4 P2 Ru
SMILES	c1(ccccc1)[P@](C(C)(C)C)(O)[Ru](C#[O])(C#[O])([P@@](c1ccccc1)(C(C)(C)C)O)(Cl)Cl
Title of publication	Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis
Authors of publication	Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	10
Pages of publication	1864
a	10.5614 ± 0.0002 Å
b	13.1538 ± 0.0002 Å
c	18.8915 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2624.46 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
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
140188 (current)	2015-07-05	cif/ Updating files of 4085723, 4085724, 4085725 Original log message: Adding full bibliography for 4085723--4085725.cif.	4085725.cif
136341	2015-05-13	cif/ Adding structures of 4085725 via cif-deposit CGI script.	4085725.cif