Crystallography Open Database

Information card for entry 7132348

Preview

Coordinates	7132348.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ru(bipy)3][BPh4].THF
Formula	C58 H52 B N6 O Ru
Calculated formula	C58 H52 B N6 O 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	12.20192 ± 0.00015 Å
b	28.9704 ± 0.0004 Å
c	13.67518 ± 0.00016 Å
α	90°
β	99.9543 ± 0.0012°
γ	90°
Cell volume	4761.33 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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	0.0326
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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