Crystallography Open Database

Information card for entry 7233114

Preview

Coordinates	7233114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 B Cl2 Cu N4 P2
Calculated formula	C49 H42 B Cl2 Cu N4 P2
SMILES	[Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1n(ccc1)[B](n1[n]2ccc1)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes
Authors of publication	Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	542 - 551
a	9.6512 ± 0.0008 Å
b	22.813 ± 0.002 Å
c	19.5335 ± 0.0017 Å
α	90°
β	93.96 ± 0.002°
γ	90°
Cell volume	4290.5 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
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	0.0759
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217024 (current)	2019-07-15	cif/ Adding structures of 7233114 via cif-deposit CGI script.	7233114.cif