Crystallography Open Database

Information card for entry 4119315

4119314 << 4119315 >> 4119316

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Coordinates	4119315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 F3 N P Ru
Calculated formula	C40 H36 F3 N P 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	12.3602 ± 0.0011 Å
b	15.4872 ± 0.0011 Å
c	17.2133 ± 0.001 Å
α	90°
β	96.724 ± 0.006°
γ	90°
Cell volume	3272.4 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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