Information card for entry 7108403

Structure parameters

• Formula: C18 H10 F6 Ni S4
• Calculated formula: C18 H10 F6 Ni S4
• SMILES: c1(ccc(cc1)C(F)(F)F)C1=CS[Ni]2(S1)SC(=CS2)c1ccc(cc1)C(F)(F)F
• 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: 11.924 ± 0.002 Å
• b: 9.3396 ± 0.0016 Å
• c: 8.7683 ± 0.0015 Å
• α: 90°
• β: 91.294 ± 0.002°
• γ: 90°
• Cell volume: 976.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No