Information card for entry 7061720

Structure parameters

• Formula: C92 H64 Cu2 Mn3 N10 O28
• Calculated formula: C92 H64 Cu2 Mn3 N10 O28
• 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: 17.228 ± 0.003 Å
• b: 16.992 ± 0.003 Å
• c: 15.245 ± 0.003 Å
• α: 90°
• β: 109.892 ± 0.006°
• γ: 90°
• Cell volume: 4196.5 ± 1.3 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 128.88 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No