Information card for entry 2239987

Structure parameters

• Chemical name: Bis(1,3-bis{[(1<i>H</i>-pyrrol-2-yl)methylidene]amino-κ<i>N</i>}propan-2-olato-κ<i>O</i>)manganese(III) nitrate methanol monosolvate
• Formula: C27 H34 Mn N9 O6
• Calculated formula: C27 H34 Mn N9 O6
• SMILES: [Mn]12[N](=Cc3[nH]ccc3)CC(O2)C[N]1=Cc1[nH]ccc1.[Mn]12[N](=Cc3[nH]ccc3)CC(O2)C[N]1=Cc1[nH]ccc1.N(=O)(=O)[O-].CO
• Title of publication: Crystal structure of bis(1,3-bis{[(1<i>H</i>-pyrrol-2-yl)methylidene]amino-κ<i>N</i>}propan-2-olato-κ<i>O</i>)manganese(III) nitrate methanol monosolvate
• Authors of publication: Ahn, Seoung Hyun; Shin, Jong Won; Moon, Dohyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 210 - 212
• a: 10.516 ± 0.002 Å
• b: 10.887 ± 0.002 Å
• c: 14.981 ± 0.003 Å
• α: 76.05 ± 0.03°
• β: 82.51 ± 0.03°
• γ: 61.22 ± 0.03°
• Cell volume: 1458.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes