Crystallography Open Database

Information card for entry 4065267

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Coordinates	4065267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H107 B2 F48 P2 Ru2
Calculated formula	C127 H107 B2 F48 P2 Ru2
Title of publication	Ruthenium-Mediated Cyclometalation Reactions of Allene and Allylphosphine C═C Bonds: Synthesis of κ(P),η4-(Hexa-2,5-dien-1-yl)diphenylphosphine‒Ruthenium(II) Complexes
Authors of publication	Villar, Amparo; Díez, Josefina; Lastra, Elena; Gamasa, M. Pilar
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	21
Pages of publication	5803
a	12.868 ± 0.002 Å
b	21.135 ± 0.004 Å
c	25.841 ± 0.009 Å
α	107.61 ± 0.02°
β	96.99 ± 0.02°
γ	104.684 ± 0.016°
Cell volume	6328 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2381
Weighted residual factors for all reflections included in the refinement	0.2619
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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