Crystallography Open Database

Information card for entry 7240743

Preview

Coordinates	7240743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H44 Cu F6 N2 O P3
Calculated formula	C53 H44 Cu F6 N2 O P3
SMILES	[Cu]12([P](c3c4Oc5c([P]1(c1ccccc1)c1ccccc1)cccc5C(c4ccc3)(C)C)(c1ccccc1)c1ccccc1)[n]1c3c4[n]2cccc4ccc3ccc1CC.[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	10.5631 ± 0.0008 Å
b	21.3906 ± 0.0016 Å
c	20.2696 ± 0.0015 Å
α	90°
β	93.185 ± 0.003°
γ	90°
Cell volume	4572.9 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for all reflections	0.1019
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.8993
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.	7240743.cif
253198	2020-06-17	cif/ Adding structures of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 via cif-deposit CGI script.	7240743.cif