Information card for entry 4329599

Structure parameters

• Common name: [(S)-Napht(Me)HCNMe3]2[Ni(dmit)2]5,(CH3CN)4
• Formula: C68 H52 N6 Ni5 S50
• Calculated formula: C68 H52 N6 Ni5 S50
• SMILES: [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[N+]([C@H](c1cccc2ccccc12)C)(C)(C)C.[N+]([C@H](c1cccc2ccccc12)C)(C)(C)C.N#CC.N#CC.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: 8.8577 ± 0.0008 Å
• b: 12.8475 ± 0.0012 Å
• c: 23.445 ± 0.002 Å
• α: 81.282 ± 0.004°
• β: 82.505 ± 0.004°
• γ: 78.952 ± 0.004°
• Cell volume: 2574.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No