Information card for entry 7060547

Structure parameters

• Formula: C29 H48 N10 Ni2 O2 S4
• Calculated formula: C29 H48 N10 Ni2 O2 S4
• 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: 9.268 ± 0.0004 Å
• b: 11.2105 ± 0.0004 Å
• c: 18.8811 ± 0.0007 Å
• α: 87.895 ± 0.002°
• β: 78.99 ± 0.002°
• γ: 77.785 ± 0.002°
• Cell volume: 1882.01 ± 0.13 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: 0.0326
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No