Information card for entry 7060546

Structure parameters

• Formula: C39 H63 Cl2 N6 Ni2 O16.5
• Calculated formula: C39 H62.66 Cl2 N6 Ni2 O16.33
• Title of publication: A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes
• Authors of publication: Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7602 - 7613
• a: 12.8331 ± 0.0012 Å
• b: 14.2244 ± 0.0013 Å
• c: 15.4895 ± 0.0015 Å
• α: 63.296 ± 0.003°
• β: 72.834 ± 0.003°
• γ: 77.698 ± 0.003°
• Cell volume: 2402.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No