Crystallography Open Database

Information card for entry 4075794

Preview

Coordinates	4075794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H45 O1.5 Ru
Calculated formula	C44 H45 O1.5 Ru
Title of publication	Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)
Authors of publication	Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2875
a	9.8991 ± 0.001 Å
b	10.9444 ± 0.001 Å
c	17.9392 ± 0.001 Å
α	74.28 ± 0.02°
β	82.94 ± 0.02°
γ	69.57 ± 0.02°
Cell volume	1752.3 ± 0.4 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1879
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	0.886
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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