Crystallography Open Database

Information card for entry 4119312

4119311 << 4119312 >> 4119313

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Coordinates	4119312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cl2 F6 N2 P2 Ru
Calculated formula	C34 H32 Cl2 F6 N2 P2 Ru
Title of publication	Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands
Authors of publication	David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2222 - 2234
a	9.2663 ± 0.0014 Å
b	10.8938 ± 0.0017 Å
c	18.206 ± 0.003 Å
α	106.655 ± 0.003°
β	98.593 ± 0.003°
γ	101.394 ± 0.003°
Cell volume	1684 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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