Information card for entry 2012632

Structure parameters

• Chemical name: Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}manganese(III)
• Formula: C16 H16 Cl Mn N2 O3
• Calculated formula: C16 H16 Cl Mn N2 O3
• SMILES: [Mn]123(Cl)([OH2])Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1
• Title of publication: Aquachloro[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneiminato)]manganese(III)
• Authors of publication: Martínez, David; Motevalli, Majid; Watkinson, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m258 - m260
• a: 10.418 ± 0.004 Å
• b: 6.627 ± 0.003 Å
• c: 11.733 ± 0.005 Å
• α: 90°
• β: 106.29 ± 0.02°
• γ: 90°
• Cell volume: 777.5 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes