Information card for entry 7706770

Structure parameters

• Formula: C42 H52 Mn N6 Ni2 O10 S2
• Calculated formula: C42 H52 Mn N6 Ni2 O10 S2
• Title of publication: Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an N2O3 donor unsymmetrical ligand: structures, magnetic properties and catalytic oxidase activity
• Authors of publication: Maity, Souvik; Mahapatra, Prithwish; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 18.942 ± 0.004 Å
• b: 9.1182 ± 0.0019 Å
• c: 27.324 ± 0.006 Å
• α: 90°
• β: 99.136 ± 0.003°
• γ: 90°
• Cell volume: 4659.4 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No