Crystallography Open Database

Information card for entry 4075588

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Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru(2-t-BuOOC-cyclopentanonato)(PNNP)]PF6
Formula	C110.22 H110 Cl4.51 F12 N4 O6 P6 Ru2
Calculated formula	C110.227 H110 Cl4.506 F12 N4 O6 P6 Ru2
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	14.9279 ± 0.0011 Å
b	16.6872 ± 0.0012 Å
c	23.5871 ± 0.0017 Å
α	78.051 ± 0.001°
β	74.036 ± 0.001°
γ	79.288 ± 0.001°
Cell volume	5474.5 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0573
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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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