Information card for entry 7710385

Structure parameters

• Common name: 1
• Chemical name: [Ni(L2)]
• Formula: C28 H31 N4 Ni O2
• Calculated formula: C28 H31 N4 Ni O2
• Title of publication: Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels
• Authors of publication: Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.2969 ± 0.0015 Å
• b: 6.7069 ± 0.0008 Å
• c: 27.78 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2477.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No