Information card for entry 7008182

Structure parameters

• Common name: CpNi(dmit)
• Formula: C8 H5 Ni S5
• Calculated formula: C8 H5 Ni S5
• SMILES: [Ni]12345(SC6SC(=S)SC=6S1)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: A series of neutral radical CpNi(dithiolene). complexes.
• Authors of publication: Fourmigué, Marc; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1365 - 1371
• a: 5.9185 ± 0.0014 Å
• b: 7.9334 ± 0.0012 Å
• c: 11.732 ± 0.003 Å
• α: 90°
• β: 97.86 ± 0.03°
• γ: 90°
• Cell volume: 545.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No