Information card for entry 7108404

Structure parameters

• Formula: C34 H46 F6 N Ni S4
• Calculated formula: C34 H46 F6 N Ni S4
• 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: 27.357 ± 0.006 Å
• b: 17.091 ± 0.004 Å
• c: 16.611 ± 0.004 Å
• α: 90°
• β: 103.722 ± 0.003°
• γ: 90°
• Cell volume: 7545 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No