Crystallography Open Database

Information card for entry 4106496

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Structure parameters

Formula	C29 H20 Au F6 N2 P
Calculated formula	C29 H20 Au F6 N2 P
SMILES	[Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2n1c(cc2C(F)(F)F)C(F)(F)F
Title of publication	Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices
Authors of publication	Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12085 - 12099
a	8.7933 ± 0.0004 Å
b	10.1944 ± 0.0004 Å
c	16.6221 ± 0.0007 Å
α	73.123 ± 0.001°
β	75.27 ± 0.001°
γ	64.73 ± 0.001°
Cell volume	1274.71 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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