Crystallography Open Database

Information card for entry 7708680

Preview

Coordinates	7708680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77.1 H68.2 B Cu N2 O1.7 P2
Calculated formula	C77.1 H68.2 B Cu N2 O1.7 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	28.7566 ± 0.0008 Å
b	14.3706 ± 0.0004 Å
c	30.3845 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12556.4 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7708680.cif