Crystallography Open Database

Information card for entry 7033309

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Coordinates	7033309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Br Cu P2
Calculated formula	C42 H48 Br Cu P2
SMILES	Br[Cu]1[P](c2c(cccc2)C(C)C)(c2c(cccc2)C(C)C)c2ccccc2[P]1(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C
Title of publication	Application of three-coordinate copper(i) complexes with halide ligands in organic light-emitting diodes that exhibit delayed fluorescence.
Authors of publication	Osawa, Masahisa; Hoshino, Mikio; Hashimoto, Masashi; Kawata, Isao; Igawa, Satoshi; Yashima, Masataka
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	18
Pages of publication	8369 - 8378
a	20.5325 ± 0.0019 Å
b	9.3801 ± 0.0009 Å
c	19.4895 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3753.6 ± 0.6 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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