Information card for entry 7108408

Structure parameters

• Formula: C97 H88 Ag2 Au6 B4 F16 N12 O4 P6 S2
• Calculated formula: C97 H78 Ag2 Au6 B4 F16 N12 O4 P6 S2
• Title of publication: A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors
• Authors of publication: Li Qu; Jingui Qin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9965
• a: 13.4471 ± 0.0003 Å
• b: 22.4381 ± 0.0007 Å
• c: 18.2824 ± 0.0005 Å
• α: 90°
• β: 104.442 ± 0.003°
• γ: 90°
• Cell volume: 5342 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No