Information card for entry 4341453

Structure parameters

• Formula: C21 H17 N3
• Calculated formula: C21 H17 N3
• SMILES: n1c(cccc1)NN(c1ccccc1)c1c2c(ccc1)cccc2
• 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: 14.066 ± 0.006 Å
• b: 7.975 ± 0.004 Å
• c: 14.885 ± 0.007 Å
• α: 90°
• β: 99.335 ± 0.014°
• γ: 90°
• Cell volume: 1647.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No