Information card for entry 2207537

Structure parameters

• Chemical name: Aqua[N,N'-ethylenebis(5-nitrosalicylideneiminato)]methanolmanganese(III) perchlorate
• Formula: C17 H18 Cl Mn N4 O12
• Calculated formula: C17 H18 Cl Mn N4 O12
• SMILES: [Mn]123(Oc4ccc(cc4C=[N]2CC[N]3=Cc2c(ccc(c2)N(=O)=O)O1)N(=O)=O)([OH]C)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Aqua[<i>N</i>,<i>N</i>'-ethylenebis(5-nitrosalicylideneiminato)]methanolmanganese(III) perchlorate
• Authors of publication: Butcher, Ray J.; Towns, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2618 - m2620
• a: 8.3102 ± 0.0015 Å
• b: 10.332 ± 0.0016 Å
• c: 13.995 ± 0.002 Å
• α: 84.549 ± 0.013°
• β: 79.701 ± 0.015°
• γ: 72.128 ± 0.012°
• Cell volume: 1124.2 ± 0.3 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: 0.0941
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No