Crystallography Open Database

Information card for entry 1566933

Preview

Coordinates	1566933.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[H3L(Cu)]BArF24
Formula	C71 H75 B Cu F24 N4 P3
Calculated formula	C71 H75 B Cu F24 N4 P3
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	14.9684 ± 0.0006 Å
b	25.1887 ± 0.0009 Å
c	19.9836 ± 0.0007 Å
α	90°
β	95.937 ± 0.001°
γ	90°
Cell volume	7494.1 ± 0.5 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1566933.cif
275150	2022-05-07	cif/ Adding structures of 1566932, 1566933, 1566934, 1566935, 1566936, 1566937 via cif-deposit CGI script.	1566933.cif