Crystallography Open Database

Information card for entry 7240740

Preview

Coordinates	7240740.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
SMILES	[Cu]12([n]3cc(C)ccc3c3ccc(C)c[n]13)[P](c1ccccc1)(c1ccccc1)c1cccc3c1Oc1c(C3(C)C)cccc1[P]2(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application
Authors of publication	Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	38
Pages of publication	22631 - 22644
a	10.1954 ± 0.001 Å
b	21.104 ± 0.002 Å
c	10.7666 ± 0.001 Å
α	90°
β	102.835 ± 0.003°
γ	90°
Cell volume	2258.7 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for all reflections	0.022
Weighted residual factors for significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.0219
Goodness-of-fit parameter for all reflections included in the refinement	1.0919
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
258139 (current)	2020-10-06	cif/ Updating files of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 Original log message: Adding full bibliography for 7240738--7240744.cif.	7240740.cif
253198	2020-06-17	cif/ Adding structures of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 via cif-deposit CGI script.	7240740.cif