Crystallography Open Database

Information card for entry 4082833

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Coordinates	4082833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.2 H51.8 Cl2 O P3 Ru
Calculated formula	C61.2 H51.8 Cl2 O P3 Ru
Title of publication	Mechanistic Study on the Ruthenium-Catalyzed Direct Amination of Alcohols
Authors of publication	Pingen, Dennis; Lutz, Martin; Vogt, Dieter
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	7
Pages of publication	1623
a	11.3253 ± 0.0003 Å
b	12.3579 ± 0.0005 Å
c	20.3347 ± 0.0005 Å
α	106.649 ± 0.002°
β	102.056 ± 0.001°
γ	90.409 ± 0.002°
Cell volume	2659.71 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0536
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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