Information card for entry 8102841

Structure parameters

• Chemical name: {Tris[2-(5-bromo-2-oxidobenzylideneamino)ethyl]amine}]manganese(III) monohydrate
• Formula: C27 H26 Br3 Mn N4 O4
• Calculated formula: C27 H26 Br3 Mn N4 O4
• SMILES: [Mn]12345Oc6ccc(Br)cc6C=[N]3CCN(CC[N]4=Cc3c(O1)ccc(Br)c3)CC[N]5=Cc1c(O2)ccc(Br)c1.O
• Title of publication: Crystal structure of {tris[2-(5-bromo-2-oxidobenzylideneamino)ethyl]amine}manganese(III) monohydrate, Mn(C27H24Br3N4O3) · H2O
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 659
• a: 11.0286 ± 0.0009 Å
• b: 11.5008 ± 0.0009 Å
• c: 13.0919 ± 0.0011 Å
• α: 113.717 ± 0.002°
• β: 90.235 ± 0.002°
• γ: 110.288 ± 0.002°
• Cell volume: 1405.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No