Information card for entry 7202745

Structure parameters

• Common name: Et4N+, Ni(tfadt)2-
• Formula: C16 H20 F6 N3 Ni S4
• Calculated formula: C16 F6 N3 Ni S4
• Title of publication: Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains
• Authors of publication: Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 488
• a: 16.384 ± 0.003 Å
• b: 7.7447 ± 0.0015 Å
• c: 19.192 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No