Information card for entry 1513177

Structure parameters

• Formula: C22 H28 Cl4 Mn2 N2 O6
• Calculated formula: C22 H28 Cl4 Mn2 N2 O6
• SMILES: [Mn]123(Cl)(Oc4ccc(Cl)cc4C=[N]3CCC[O]1[Mn]13(Cl)(Oc4ccc(Cl)cc4C=[N]3CCC[O]21)[OH]C)[OH]C
• Title of publication: Synthesis, structural analysis and magnetic properties of two novel doubly oxygen bridged binuclear manganese(III) and copper(II) complexes with ONO tridentate ligands
• Authors of publication: Yasemin Yahsi; Hulya Kara
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 110 - 116
• a: 10.295 ± 0.005 Å
• b: 17.826 ± 0.005 Å
• c: 7.705 ± 0.005 Å
• α: 90°
• β: 101.897 ± 0.005°
• γ: 90°
• Cell volume: 1383.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0866
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No