Crystallography Open Database

Information card for entry 7234876

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Coordinates	7234876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H88 Au2 Cl8 N2 O8 P6 Pt S2
Calculated formula	C104 H82 Au2 Cl2 N2 O8 P6 Pt S2
Title of publication	Solution-processed OLEDs based on phosphorescent PtAu2 complexes with phenothiazine-functionalized acetylides
Authors of publication	Xian-Chong Zeng; Jin-Yun Wang; Liang-Jin Xu; Hui-Min Wen; Zhong-Ning Chen
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	6096 - 6103
a	12.7978 ± 0.0001 Å
b	14.9854 ± 0.0003 Å
c	16.8833 ± 0.0003 Å
α	84.385 ± 0.008°
β	74.318 ± 0.008°
γ	70.229 ± 0.007°
Cell volume	2933.52 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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