Crystallography Open Database

Information card for entry 4129274

Preview

Coordinates	4129274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Br2 Cl2 Cu2 N2 P2
Calculated formula	C37 H34 Br2 Cl2 Cu2 N2 P2
SMILES	Br[Cu]1[n]2c(cccc2C)[P](c2ccccc2)(c2ccccc2)[Cu]([n]2c(cccc2C)[P]1(c1ccccc1)c1ccccc1)Br.ClCCl
Title of publication	Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.
Authors of publication	Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	1
Pages of publication	399 - 404
a	9.9441 ± 0.0002 Å
b	9.9441 ± 0.0002 Å
c	64.373 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	5512.7 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240029 (current)	2019-11-25	cif/ Adding structures of 4129274 via cif-deposit CGI script.	4129274.cif