Information card for entry 2216286

Structure parameters

• Chemical name: Aquachlorido[4,4'-dimethyl-N,N'-(o-phenylene)bis(pyridine-2- carboxamidato)]manganese(III) dimethylformamide solvate
• Formula: C23 H25 Cl Mn N5 O4
• Calculated formula: C23 H25 Cl Mn N5 O4
• SMILES: [Mn]123(Cl)([OH2])N(c4c(N3C(=O)c3[n]2ccc(c3)C)cccc4)C(=O)c2[n]1ccc(c2)C.O=CN(C)C
• Title of publication: Aquachlorido[4,4'-dimethyl-<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(pyridine-2-carboxamidato)]manganese(III) dimethylformamide solvate
• Authors of publication: Li Yang; Zhaoqiong Jiang; Xiang-Ge Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3055 - m3055
• a: 11.7182 ± 0.0015 Å
• b: 15.503 ± 0.002 Å
• c: 14.0158 ± 0.0019 Å
• α: 90°
• β: 99.892 ± 0.003°
• γ: 90°
• Cell volume: 2508.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes