Information card for entry 7202743

Structure parameters

• Common name: Me4N+, [Ni(tfadt)2]-
• Formula: C12 H12 F6 N3 Ni S4
• Calculated formula: C12 H12 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: 24.016 ± 0.003 Å
• b: 7.4363 ± 0.0006 Å
• c: 11.1585 ± 0.001 Å
• α: 90°
• β: 97.587 ± 0.012°
• γ: 90°
• Cell volume: 1975.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No