Information card for entry 4336409

Structure parameters

• Formula: C20 H40 Cl2 N6 Ni2 O10
• Calculated formula: C20 H40 Cl2 N6 Ni2 O10
• SMILES: C1(C(C)=[N]2CC[N]([Ni]32[N]=1O[Ni]12[N](=C(C(C)=[N]1CC[N]2(CC)CC)C)O3)(CC)CC)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology
• Authors of publication: Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11744 - 11757
• a: 7.475 ± 0.005 Å
• b: 21.747 ± 0.005 Å
• c: 9.689 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.622 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1464.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No