Information card for entry 7204047

Structure parameters

• Common name: bis(Me3N-Tempo)Ni(dmit)2
• Chemical name: bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(II)
• Formula: C30 H52 N4 Ni O2 S10
• Calculated formula: C30 H52 N4 Ni O2 S10
• SMILES: C12=C(S[Ni]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C1(CC(CC(C)(C)[N]1=O)[N+](C)(C)C)(C)C.C1(CC(CC(C)(C)[N]1=O)[N+](C)(C)C)(C)C
• Title of publication: Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)
• Authors of publication: Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 337
• a: 14.5213 ± 0.0017 Å
• b: 15.982 ± 0.003 Å
• c: 18.15 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4212.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No