Information card for entry 4319574

Structure parameters

• Common name: [(F4Ni)3 (TTF)3,CH2Cl2]
• Formula: C49 H36 Cl2 F12 Ni3 S36
• Calculated formula: C49 H36 Cl2 F12 Ni3 S36
• Title of publication: Stabilization of Isolated Mixed-Valence Trimers in a Novel Nickel Dithiolene Complex with CF2 Substituents
• Authors of publication: Olivier J. Dautel; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2083 - 2087
• a: 12.33 ± 0.003 Å
• b: 12.726 ± 0.003 Å
• c: 15.706 ± 0.003 Å
• α: 91.1 ± 0.03°
• β: 110.78 ± 0.03°
• γ: 116.01 ± 0.03°
• Cell volume: 2025.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1241
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No