Crystallography Open Database

Information card for entry 7708683

Preview

Coordinates	7708683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H54 B Cl2 Cu F4 N2 O2 P2
Calculated formula	C50 H42 B Cu F4 N2 O P2
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	10.832 ± 0.0005 Å
b	14.9163 ± 0.0006 Å
c	18.2441 ± 0.0008 Å
α	109.737 ± 0.0015°
β	93.2992 ± 0.0017°
γ	110.685 ± 0.0016°
Cell volume	2542.8 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7708683.cif