Information card for entry 2216021

Structure parameters

• Chemical name: Diaqua[N,N'-(o-phenylene)bis(pyridine-2-carboxamidato)- <i>κ</i>^4^<i>N</i>]manganese(III) perchlorate
• Formula: C18 H16 Cl Mn N4 O8
• Calculated formula: C18 H16 Cl Mn N4 O8
• SMILES: [O-]Cl(=O)(=O)=O.[Mn]123([OH2])(N(C(=O)c4cccc[n]24)c2c(cccc2)N1C(=O)c1cccc[n]31)[OH2]
• Title of publication: Diaqua[<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(pyridine-2-carboxamidato)-<i>{κ</i>}^4^<i>N</i>]manganese(III) perchlorate
• Authors of publication: Zhang, Li-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2760 - m2760
• a: 9.941 ± 0.002 Å
• b: 15.416 ± 0.003 Å
• c: 13.357 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes