Information card for entry 4341449

Structure parameters

• Formula: C33 H27 Cl2 N9 Ni O8
• Calculated formula: C33 H27 Cl2 N9 Ni O8
• SMILES: [Ni]123([N](c4ccccc4)=Nc4cccc[n]14)([N](c1ccccc1)=Nc1cccc[n]21)[n]1ccccc1N=[N]3c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 9.3581 ± 0.0007 Å
• b: 9.6869 ± 0.0007 Å
• c: 39.014 ± 0.003 Å
• α: 90°
• β: 93.296 ± 0.002°
• γ: 90°
• Cell volume: 3530.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No