Information card for entry 7047419

Structure parameters

• Formula: C72 H76 Cl3 Mn2 N11 Ni4 O22
• Calculated formula: C72 H72 Cl3 Mn2 N11 Ni4 O22
• Title of publication: Tri- and hexa-nuclear Ni^II-Mn^II complexes of a N₂O₂ donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.
• Authors of publication: Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13957 - 13971
• a: 21.847 ± 0.0007 Å
• b: 13.0063 ± 0.0007 Å
• c: 30.2495 ± 0.0011 Å
• α: 90°
• β: 101.6 ± 0.003°
• γ: 90°
• Cell volume: 8419.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No