Information card for entry 2238276

Structure parameters

• Chemical name: Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate
• Formula: C21 H18 Cl Mn N2 O3
• Calculated formula: C21 H18 Cl Mn N2 O3
• SMILES: [Mn]123(Cl)[N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3.CO
• Title of publication: Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate
• Authors of publication: Lin, Hui; Wang, Jian-Gang; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m404
• a: 7.4251 ± 0.0002 Å
• b: 9.8341 ± 0.0002 Å
• c: 13.3035 ± 0.0003 Å
• α: 78.803 ± 0.001°
• β: 83.305 ± 0.002°
• γ: 86.344 ± 0.002°
• Cell volume: 945.58 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes