Information card for entry 7715598

Structure parameters

• Chemical name: [Zn(L*)2]
• Formula: C52 H54 N6 O4 Zn
• Calculated formula: C52 H54 N6 O4 Zn
• SMILES: [Zn]1234(N(c5c6N1c1c(Oc6ccc5)c(cc(C(C)(C)C)c1)C(C)(C)C)C(=O)c1[n]2cccc1)N1c2c(Oc5c1c(N3C(=O)c1[n]4cccc1)ccc5)c(cc(c2)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: 26.7335 ± 0.0016 Å
• b: 17.2618 ± 0.0016 Å
• c: 23.2287 ± 0.0019 Å
• α: 90°
• β: 120.956 ± 0.004°
• γ: 90°
• Cell volume: 9192.5 ± 1.3 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: 0.0606
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0952
• 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: No
• Has Fobs: No