Information card for entry 4341451

Structure parameters

• Formula: C22 H18 N6 Ni
• Calculated formula: C22 H18 N6 Ni
• SMILES: c1cccc2[n]1[Ni]1([N](c3ccccc3)=N2)[n]2ccccc2N=[N]1c1ccccc1
• Title of publication: Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.
• Authors of publication: Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141105122752002
• a: 32.4726 ± 0.0016 Å
• b: 8.645 ± 0.0004 Å
• c: 13.5478 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No