Information card for entry 2220422

Structure parameters

• Chemical name: {Tris[2-(5-bromo-2-oxidobenzylideneamino)ethyl]amine}manganese(III)
• Formula: C27 H24 Br3 Mn N4 O3
• Calculated formula: C27 H24 Br3 Mn N4 O3
• SMILES: [Mn]12345Oc6ccc(Br)cc6C=[N]3CCN(CC[N]4=Cc3c(O1)ccc(Br)c3)CC[N]5=Cc1c(O2)ccc(Br)c1
• Title of publication: {Tris[2-(5-bromo-2-oxidobenzylideneamino)ethyl]amine}manganese(III)
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m63
• a: 9.5892 ± 0.0015 Å
• b: 11.7558 ± 0.0018 Å
• c: 13.417 ± 0.002 Å
• α: 80.041 ± 0.003°
• β: 78.084 ± 0.003°
• γ: 89.069 ± 0.003°
• Cell volume: 1457.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes