Information card for entry 7108407

Structure parameters

• Formula: C99 H86 Ag2 Au6 B4 F16 N12 O2 P6 S2
• Calculated formula: C99 H78 Ag2 Au6 B4 F16 N12 O2 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: 14.5234 ± 0.0004 Å
• b: 14.6396 ± 0.0004 Å
• c: 28.6409 ± 0.0006 Å
• α: 75.378 ± 0.002°
• β: 89.089 ± 0.002°
• γ: 67.769 ± 0.002°
• Cell volume: 5432.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No