Information card for entry 4329598

Structure parameters

• Common name: [(S)-tBu(Me)HCNMe3][Ni(dmit)2]3,(CH3CN)2
• Formula: C31 H28 N3 Ni3 S30
• Calculated formula: C31 H28 N3 Ni3 S30
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[N+](C)(C)(C)[C@@H](C)C(C)(C)C.N#CC.N#CC
• Title of publication: Chiral Conducting Salts of Nickel Dithiolene Complexes
• Authors of publication: Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7144 - 7152
• a: 11.2264 ± 0.0009 Å
• b: 11.5591 ± 0.0009 Å
• c: 43.063 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5588.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No