Information card for entry 7716148

Structure parameters

• Formula: C36 H26 Cl2 F2 N8 Ni O8
• Calculated formula: C36 H26 Cl2 F2 N8 Ni O8
• SMILES: [Ni]1234([N](=Nc5[n]4c(C=[N]3c3ccc(F)cc3)ccc5)c3ccccc3)[N](c3ccc(F)cc3)=Cc3[n]1c(N=[N]2c1ccccc1)ccc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).
• Authors of publication: Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10250 - 10260
• a: 21.5575 ± 0.0019 Å
• b: 8.4204 ± 0.0007 Å
• c: 20.7872 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3773.4 ± 0.6 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No