Crystallography Open Database

Information card for entry 7708686

Preview

Coordinates	7708686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H44 Cu F6 N2 O P3
Calculated formula	C51 H44 Cu F6 N2 O P3
Title of publication	A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells
Authors of publication	Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.
Journal of publication	Dalton Transactions
Year of publication	2021
a	19.764 ± 0.0003 Å
b	19.7573 ± 0.0003 Å
c	22.6092 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8828.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270220 (current)	2021-11-03	cif/ Adding structures of 7708680, 7708681, 7708682, 7708683, 7708684, 7708685, 7708686, 7708687, 7708688 via cif-deposit CGI script.	7708686.cif