Information card for entry 7715599

Structure parameters

• Chemical name: [Ni(L*)2]
• Formula: C52 H54 N6 Ni O4
• Calculated formula: C52 H54 N6 Ni O4
• SMILES: [Ni]1234(N5c6c(N2C(=O)c2[n]1cccc2)cccc6Oc1c5cc(C(C)(C)C)cc1C(C)(C)C)N(C(=O)c1[n]4cccc1)c1c2N3c3c(Oc2ccc1)c(cc(c3)C(C)(C)C)C(C)(C)C
• Title of publication: Phenoxazinyl Zn(II) diradical complex formed <i>via</i> redox-driven cyclization of a 2-aminophenol-based N₃O ligand. Isolation of the modified N₃ ligand radical and its Ni(II) complex.
• Authors of publication: Mukhopadhyay, Narottam; Sengupta, Arunava; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6515 - 6519
• a: 26.392 ± 0.003 Å
• b: 17.272 ± 0.003 Å
• c: 23.289 ± 0.003 Å
• α: 90°
• β: 120.049 ± 0.007°
• γ: 90°
• Cell volume: 9189 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No