Crystallography Open Database

Information card for entry 4075589

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(MeC(O)-N-Bn-d-valerolactamato)(PNNP)]PF6
Formula	C61.01 H52 Cl6 F6 N3 O2 P3 Ru
Calculated formula	C61.01 H52 Cl6 F6 N3 O2 P3 Ru
Title of publication	Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition
Authors of publication	Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3108
a	11.8816 ± 0.0012 Å
b	16.0042 ± 0.0017 Å
c	16.4275 ± 0.0017 Å
α	96.802 ± 0.002°
β	97.407 ± 0.002°
γ	93.83 ± 0.002°
Cell volume	3065.2 ± 0.6 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1924
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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

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