Crystallography Open Database

Information card for entry 7233115

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Structure parameters

Formula	C48 H32 B Cu F8 N4 P2
Calculated formula	C48 H32 B Cu F8 N4 P2
SMILES	[Cu]12([P](c3cc(F)cc(F)c3)(c3cc(F)cc(F)c3)c3ccccc3[P]1(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)[n]1n(ccc1)[B](n1[n]2ccc1)(c1ccccc1)c1ccccc1
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	12.4467 ± 0.0008 Å
b	13.2352 ± 0.0011 Å
c	13.7652 ± 0.0009 Å
α	89.778 ± 0.004°
β	70.725 ± 0.004°
γ	78.648 ± 0.003°
Cell volume	2094 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233115.cif
217025	2019-07-15	cif/ Adding structures of 7233115 via cif-deposit CGI script.	7233115.cif