Crystallography Open Database

Information card for entry 7132349

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Coordinates	7132349.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ru(bipy)3][BPh4].MeCN
Formula	C56 H47 B N7 Ru
Calculated formula	C56 H47 B N7 Ru
Title of publication	Isolation of the elusive [Ru(bipy)3]+: a key intermediate in photoredox catalysis
Authors of publication	Horsewill, Samuel J.; Cao, Chengyang; Dabney, Noah; Yang, Eric S.; Faulkner, Stephen; Scott, Daniel
Journal of publication	Chemical Communications
Year of publication	2023
a	12.3868 ± 0.0004 Å
b	13.6724 ± 0.0004 Å
c	14.1067 ± 0.0005 Å
α	98.518 ± 0.003°
β	108.278 ± 0.003°
γ	96.802 ± 0.003°
Cell volume	2208.65 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.9 ± 0.6 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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