Crystallography Open Database

Information card for entry 4075934

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Coordinates	4075934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H61.5 Cl2 O5.25 P Ru
Calculated formula	C43 H61.5 Cl2 O5.25 P Ru
Title of publication	Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis
Authors of publication	Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	4065
a	9.9547 ± 0.0001 Å
b	11.3765 ± 0.0001 Å
c	20.5889 ± 0.0003 Å
α	104.086 ± 0.001°
β	102.135 ± 0.001°
γ	91.314 ± 0.001°
Cell volume	2204.28 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.041
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0936
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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