Crystallography Open Database

Information card for entry 4087402

Preview

Coordinates	4087402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H44 Cl4 F6 O3 P3 Ru
Calculated formula	C47 H44 Cl4 F6 O3 P3 Ru
SMILES	C(#C[C](c1ccccc1)c1ccccc1)[Ru]1234([cH]5[cH]1[cH]2[c]13cccc[c]451)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](OC)(OC)OC.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Nucleophilic Additions to Allenylidene Ruthenium Complexes
Authors of publication	García de la Arada, Isaac; Díez, Josefina; Gamasa, M. Pilar; Lastra, Elena
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1345
a	10.5041 ± 0.0003 Å
b	13.5409 ± 0.0004 Å
c	18.8293 ± 0.0006 Å
α	102.658 ± 0.003°
β	105.091 ± 0.003°
γ	105.866 ± 0.003°
Cell volume	2362.67 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2504
Weighted residual factors for all reflections included in the refinement	0.2557
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
236777 (current)	2019-11-24	cif/ Adding structures of 4087402, 4087403 via cif-deposit CGI script.	4087402.cif