Crystallography Open Database

Information card for entry 4087403

Preview

Coordinates	4087403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cl3 F6 O3 P3 Ru
Calculated formula	C40 H52 Cl3 F6 O3 P3 Ru
SMILES	C1(=C=C(c2ccccc2)c2ccccc2)[P+](C[CH]2=[CH2][Ru]345612([cH]1[cH]3[cH]4[c]25cccc[c]612)[P](OCC)(OCC)OCC)(C(C)C)C(C)C.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
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	10.477 ± 0.0005 Å
b	12.8432 ± 0.0008 Å
c	17.1646 ± 0.0008 Å
α	92.862 ± 0.004°
β	96.767 ± 0.004°
γ	104.16 ± 0.004°
Cell volume	2216.4 ± 0.2 Å³
Cell temperature	151.8 ± 0.2 K
Ambient diffraction temperature	151.8 ± 0.2 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	0.0526
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
236777 (current)	2019-11-24	cif/ Adding structures of 4087402, 4087403 via cif-deposit CGI script.	4087403.cif