Crystallography Open Database

Information card for entry 4081148

Preview

Coordinates	4081148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 Cl2 P2 Ru
Calculated formula	C28 H52 Cl2 P2 Ru
SMILES	[c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(CC(C[P]1(C(C)C)C(C)C)[P+](CC=C)(C(C)C)C(C)C)Cl)C)C(C)C.[Cl-]
Title of publication	Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions
Authors of publication	Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4342
a	9.6326 ± 0.0001 Å
b	13.4904 ± 0.0001 Å
c	23.5098 ± 0.0002 Å
α	90°
β	101.697 ± 0.001°
γ	90°
Cell volume	2991.6 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0258
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178700 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/11.	4081148.cif
88013	2013-08-27	cif/ Adding structures of 4081148, 4081149, 4081150, 4081151 via cif-deposit CGI script.	4081148.cif