Information card for entry 7716149

Structure parameters

• Formula: C38 H32 Cl2 N8 Ni O10
• Calculated formula: C38 H32 Cl2 N8 Ni O10
• SMILES: [Ni]1234([N](=Cc5[n]1c(N=[N]4c1ccc(OC)cc1)ccc5)c1ccccc1)[n]1c(N=[N]2c2ccc(OC)cc2)cccc1C=[N]3c1ccccc1.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: 40.212 ± 0.008 Å
• b: 8.3825 ± 0.0017 Å
• c: 32.806 ± 0.007 Å
• α: 90°
• β: 127.767 ± 0.006°
• γ: 90°
• Cell volume: 8742 ± 3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No