Crystallography Open Database

Information card for entry 7112336

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Coordinates	7112336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H90 Cl4 N4 O3 Pt2
Calculated formula	C82 H90 Cl4 N4 O3 Pt2
SMILES	c12c3c(cccc3)O[Pt]45[n]2c(cc(c1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1c5c(cc(c1)C(C)(C)C)c1[n]4cccc1.O.C(Cl)Cl
Title of publication	Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability
Authors of publication	Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	15
Pages of publication	1497 - 1499
a	31.5586 ± 0.0014 Å
b	16.6386 ± 0.0008 Å
c	13.6571 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7171.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Duplicate of	7108844
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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