Crystallography Open Database

Information card for entry 4119311

4119310 << 4119311 >> 4119312

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Coordinates	4119311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Cl2 F6 N P2 Ru
Calculated formula	C45 H39 Cl2 F6 N 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	28.3177 ± 0.0016 Å
b	28.3177 ± 0.0016 Å
c	10.7605 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8628.8 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	86
Hermann-Mauguin space group symbol	P 42/n
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1411
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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