Information card for entry 2221035

Structure parameters

• Chemical name: Chlorido{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Formula: C17 H16 Cl Mn N2 O2
• Calculated formula: C17 H16 Cl Mn N2 O2
• SMILES: c12c(cccc1)C=[N]1CCC[N]3=Cc4ccccc4O[Mn]13(Cl)O2
• Title of publication: Chlorido{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)
• Authors of publication: Li, Ming-Jie; Yan, Peng-Fei; Li, Guang-Ming; Li, Hong-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m306
• a: 10.428 ± 0.003 Å
• b: 12.067 ± 0.004 Å
• c: 12.53 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.7 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes