Information card for entry 7710384

Structure parameters

• Common name: 2
• Chemical name: [Ni(L2)](SbF6)
• Formula: C26.5 H29 Cl F6 N3 Ni O2 Sb
• Calculated formula: C26 H28 F6 N3 Ni O2 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ni]123N(c4c(N3c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cccc4)C(=O)c1[n]2cccc1
• 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: 8.086 ± 0.0007 Å
• b: 12.2357 ± 0.001 Å
• c: 15.7588 ± 0.0013 Å
• α: 67.728 ± 0.003°
• β: 81.98 ± 0.003°
• γ: 86.088 ± 0.003°
• Cell volume: 1428.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No