Crystallography Open Database

Information card for entry 4513929

Preview

Coordinates	4513929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H92 Au2 Cl2 N2 O9 P6 Pt
Calculated formula	C108 H92 Au2 Cl2 N2 O9 P6 Pt
Title of publication	Phosphorescent PtAu2 Complexes with Differently Positioned Carbazole-Acetylide Ligands for Solution-Processed Organic Light-Emitting Diodes with External Quantum Efficiencies of over 20.
Authors of publication	Xu, Liang-Jin; Zeng, Xian-Chong; Wang, Jin-Yun; Zhang, Li-Yi; Chi, Yun; Chen, Zhong-Ning
Journal of publication	ACS applied materials & interfaces
Year of publication	2016
a	12.401 ± 0.006 Å
b	14.396 ± 0.006 Å
c	15.709 ± 0.009 Å
α	116.697 ± 0.013°
β	98.59 ± 0.03°
γ	94.41 ± 0.02°
Cell volume	2444 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1036
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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