Crystallography Open Database

Information card for entry 4117819

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Coordinates	4117819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H73 B F24 N3 O P3 Ru Si
Calculated formula	C75 H73 B F24 N3 O P3 Ru 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	15.1068 ± 0.0014 Å
b	15.2076 ± 0.0012 Å
c	17.5911 ± 0.0016 Å
α	90°
β	110.504 ± 0.003°
γ	90°
Cell volume	3785.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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