Information card for entry 7048712

Structure parameters

• Formula: C29 H37 Br N4 Ni2 O7
• Calculated formula: C29 H37 Br N4 Ni2 O7
• Title of publication: Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.
• Authors of publication: Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2772 - 2784
• a: 13.938 ± 0.002 Å
• b: 13.552 ± 0.002 Å
• c: 17.572 ± 0.003 Å
• α: 90°
• β: 102.448 ± 0.004°
• γ: 90°
• Cell volume: 3241.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.054
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No