Crystallography Open Database

Information card for entry 4117821

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Coordinates	4117821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H66 F6 N O5 P3 Ru S Si
Calculated formula	C52 H66 F6 N O5 P3 Ru S Si
Title of publication	A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides
Authors of publication	Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6695 - 6706
a	17.4556 ± 0.0004 Å
b	15.9409 ± 0.0004 Å
c	20.2398 ± 0.0005 Å
α	90°
β	110.714 ± 0.002°
γ	90°
Cell volume	5267.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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