Crystallography Open Database

Information card for entry 4072517

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Coordinates	4072517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H53 Cl3 F6 P4 Ru
Calculated formula	C54 H53 Cl3 F6 P4 Ru
Title of publication	Mechanistic Studies on the Formation of η2-Diphosphine (η6-p-cymene)ruthenium(II) Compounds
Authors of publication	Chaplin, Adrian B.; Fellay, Céline; Laurenczy, Gábor; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	3
Pages of publication	586
a	13.9506 ± 0.0007 Å
b	18.7248 ± 0.0011 Å
c	21.1365 ± 0.0013 Å
α	90°
β	107.004 ± 0.005°
γ	90°
Cell volume	5280 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.0966
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2396
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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