Crystallography Open Database

Information card for entry 1566932

Preview

Coordinates	1566932.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(COD)2]BArF24
Chemical name	[Cu(COD)2]BArF24
Formula	C48 H36 B Cu F24
Calculated formula	C48 H36 B Cu F24.009
Title of publication	One-electron bonds in copper-aluminum and copper-gallium complexes.
Authors of publication	Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	22
Pages of publication	6525 - 6531
a	18.0783 ± 0.0008 Å
b	19.0664 ± 0.0008 Å
c	27.2154 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9380.8 ± 0.7 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.2119
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
276601 (current)	2022-07-06	cif/ Updating files of 1566932, 1566933, 1566934, 1566935, 1566936, 1566937 Original log message: Adding full bibliography for 1566932--1566937.cif.	1566932.cif
275150	2022-05-07	cif/ Adding structures of 1566932, 1566933, 1566934, 1566935, 1566936, 1566937 via cif-deposit CGI script.	1566932.cif