Crystallography Open Database

Information card for entry 4516673

Preview

Coordinates	4516673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H35 B Cl2 Cu F4 N4 O3 P
Calculated formula	C47 H35 B Cl2 Cu F4 N4 O3 P
Title of publication	[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions
Authors of publication	Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver
Journal of publication	ACS Catalysis
Year of publication	2015
Journal volume	5
Journal issue	9
Pages of publication	5186
a	30.0446 ± 0.0006 Å
b	11.56203 ± 0.00018 Å
c	24.6258 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8554.4 ± 0.3 Å³
Cell temperature	122.99 ± 0.16 K
Ambient diffraction temperature	122.99 ± 0.16 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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