Information card for entry 4329790

Structure parameters

• Formula: C26 H38 N6 Ni2 O2 S2
• Calculated formula: C26 H38 N6 Ni2 O2 S2
• Title of publication: Synthesis, Crystal Structures, Magnetic Properties and Catecholase Activity of Double Phenoxido-Bridged Penta-Coordinated Dinuclear Nickel(II) Complexes Derived from Reduced Schiff-Base Ligands: Mechanistic Inference of Catecholase Activity
• Authors of publication: Apurba Biswas; Lakshmi Kanta Das; Michael G. B. Drew; Guillem Aromí; Patrick Gamez; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7993 - 8001
• a: 9.2781 ± 0.0005 Å
• b: 12.2358 ± 0.0015 Å
• c: 12.7526 ± 0.001 Å
• α: 90°
• β: 90.697 ± 0.007°
• γ: 90°
• Cell volume: 1447.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No