Crystallography Open Database

Information card for entry 7708687

Preview

Coordinates	7708687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H62 B Cu F24 N2 O P2
Calculated formula	C85 H62 B Cu F24 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	14.2327 ± 0.0004 Å
b	30.8018 ± 0.0009 Å
c	18.4314 ± 0.0005 Å
α	90°
β	94.048 ± 0.002°
γ	90°
Cell volume	8060 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
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	0.0953
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7708687.cif