Information card for entry 4340584

Structure parameters

• Common name: [Ni(Et-thiazdt)2]0
• Formula: C10 H10 N2 Ni S8
• Calculated formula: C10 H10 N2 Ni S8
• SMILES: C12S[Ni]3(SC=2N(C(=S)S1)CC)SC1=C(N(C(=S)S1)CC)S3
• Title of publication: Radical or not radical: compared structures of metal (m = ni, au) bis-dithiolene complexes with a thiazole backbone.
• Authors of publication: Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Vacher, Antoine; Lorcy, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8681 - 8690
• a: 5.6672 ± 0.0002 Å
• b: 21.7434 ± 0.0007 Å
• c: 7.372 ± 0.0002 Å
• α: 90°
• β: 110.885 ± 0.002°
• γ: 90°
• Cell volume: 848.72 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No