Crystallography Open Database

Information card for entry 7707183

Preview

Coordinates	7707183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H60 Cl12 Cu2 F12 N12 P2
Calculated formula	C74 H60 Cl12 Cu2 F12 N12 P2
Title of publication	A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.
Authors of publication	Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	19
Pages of publication	6444 - 6462
a	11.877 ± 0.002 Å
b	18.917 ± 0.004 Å
c	18.418 ± 0.004 Å
α	90°
β	96.14 ± 0.03°
γ	90°
Cell volume	4114.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.1335
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	0.811
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

Version history

Revision	Date	Message	Files
266012 (current)	2021-06-05	cif/ Updating files of 7707179, 7707180, 7707181, 7707182, 7707183 Original log message: Adding full bibliography for 7707179--7707183.cif.	7707183.cif
264438	2021-04-23	cif/ Adding structures of 7707179, 7707180, 7707181, 7707182, 7707183 via cif-deposit CGI script.	7707183.cif