Information card for entry 7202744

Structure parameters

• Common name: Et4N+, [Ni(tfadt)2]-
• Formula: C16 H20 F6 N3 Ni S4
• Calculated formula: C16 H8 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: 7.6741 ± 0.0006 Å
• b: 18.8293 ± 0.0019 Å
• c: 16.2154 ± 0.0019 Å
• α: 90°
• β: 97.86 ± 0.01°
• γ: 90°
• Cell volume: 2321.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1336
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No