Information card for entry 7710386

Structure parameters

• Common name: LIGAND
• Chemical name: H3L
• Formula: C26 H31 N3 O2
• Calculated formula: C26 H31 N3 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: 12.8121 ± 0.0005 Å
• b: 9.6447 ± 0.0004 Å
• c: 18.5196 ± 0.0007 Å
• α: 90°
• β: 98.531 ± 0.004°
• γ: 90°
• Cell volume: 2263.13 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No