Information card for entry 4347811

Structure parameters

• Formula: C24 H26 Cl2 N6 Ni O8
• Calculated formula: C24 H26 Cl2 N6 Ni O8
• SMILES: c12ccccc1[NH]1c3ccccc3[NH2][Ni]341([NH2]2)[NH2]c1ccccc1[NH]3c1ccccc1[NH2]4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.
• Authors of publication: Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6114 - 6123
• a: 13.6483 ± 0.0005 Å
• b: 13.6483 ± 0.0005 Å
• c: 14.641 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2727.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No