Crystallography Open Database

Information card for entry 1569982

Preview

Coordinates	1569982.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ArFLCu
Formula	C65 H41 Cu F6 N2
Calculated formula	C65 H41 Cu F6 N2
Title of publication	Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.
Authors of publication	Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	39
Pages of publication	10847 - 10860
a	14.053 ± 0.004 Å
b	14.168 ± 0.003 Å
c	25.657 ± 0.005 Å
α	90°
β	94.936 ± 0.008°
γ	90°
Cell volume	5089 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0863
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287314 (current)	2023-11-06	cif/ Updating files of 1569981, 1569982 Original log message: Adding full bibliography for 1569981--1569982.cif.	1569982.cif
286544	2023-09-27	cif/ Adding structures of 1569981, 1569982 via cif-deposit CGI script.	1569982.cif