Information card for entry 7716150

Structure parameters

• Formula: C37 H30 Cl4 N8 Ni O8
• Calculated formula: C37 H30 Cl4 N8 Ni O8
• SMILES: [Ni]1234([N](c5ccccc5)=Cc5[n]3c(N=[N]1c1ccccc1)ccc5)[N](=Cc1[n]2c(N=[N]4c2ccccc2)ccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
• 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: 24.5049 ± 0.0005 Å
• b: 19.3818 ± 0.0004 Å
• c: 8.2605 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3923.32 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No