Information card for entry 7061718

Structure parameters

• Formula: C92 H70 Mn3 N4 Ni2 O16
• Calculated formula: C92 H70 Mn3 N4 Ni2 O16
• Title of publication: Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities
• Authors of publication: Ganguly, Sayantan; Bhunia, Pradip; Mayans, Júlia; Ghosh, Ashutosh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 17260 - 17271
• a: 11.67 ± 0.003 Å
• b: 11.841 ± 0.003 Å
• c: 15.414 ± 0.004 Å
• α: 103.069 ± 0.007°
• β: 107.134 ± 0.008°
• γ: 105.422 ± 0.008°
• Cell volume: 1851.9 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.07 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: 0.1183
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No