Crystallography Open Database

Information card for entry 7703596

Preview

Coordinates	7703596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O2 Pt Se
Calculated formula	C24 H27 N O2 Pt Se
SMILES	[Pt]12(c3c(c4[n]2cccc4)[se]c2ccccc32)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C
Title of publication	Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.
Authors of publication	Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	11
Pages of publication	3393 - 3397
a	17.13173 ± 0.00012 Å
b	5.77152 ± 0.00005 Å
c	23.0206 ± 0.0002 Å
α	90°
β	107.05 ± 0.0008°
γ	90°
Cell volume	2176.15 ± 0.03 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	6
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	0.0291
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.0513
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
250304 (current)	2020-04-05	cif/ Updating files of 7703596, 7703597, 7703598 Original log message: Adding full bibliography for 7703596--7703598.cif.	7703596.cif
248477	2020-02-27	cif/ Adding structures of 7703596, 7703597, 7703598 via cif-deposit CGI script.	7703596.cif