Information card for entry 7108343

Structure parameters

• Common name: NiL2(CS2)
• Formula: C14 H12 N2 Ni S2
• Calculated formula: C14 H12 N2 Ni S2
• SMILES: [Ni]12([S]=[C]1=S)[n]1c(C=[N]2Cc2ccccc2)cccc1
• Title of publication: Carbon disulfide binding at dinuclear and mononuclear nickel complexes ligated by a redox-active ligand: iminopyridine serving as an accumulator of redox equivalents for the activation of heteroallenes
• Authors of publication: Amarnath Bheemaraju; Jeffrey Beattie; Richard Lord; Philip Martin; Stanislav Groysman
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9595
• a: 8.7358 ± 0.0007 Å
• b: 9.5434 ± 0.0007 Å
• c: 17.0075 ± 0.0014 Å
• α: 98.21 ± 0.005°
• β: 98.742 ± 0.005°
• γ: 96.563 ± 0.005°
• Cell volume: 1373.6 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No