Information card for entry 2213593

Structure parameters

• Chemical name: [1,2-Bis(2-pyridylcarboxamido)-4,5- dichlorobenzene(2-)]chlorido(dimethylformamide)manganese(III)
• Formula: C21 H17 Cl3 Mn N5 O3
• Calculated formula: C21 H17 Cl3 Mn N5 O3
• SMILES: [Mn]123(Cl)([O]=CN(C)C)N(c4c(N2C(=O)c2[n]3cccc2)cc(Cl)c(Cl)c4)C(=O)c2[n]1cccc2
• Title of publication: Chlorido[4,5-dichloro-1,2-bis(2-pyridylcarboxamido)benzene(2‒)](dimethylformamide)manganese(III)
• Authors of publication: Lei Liang; Yan-Yang Qu; Li Yang; Xiang-Ge Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1503 - m1505
• a: 10.7467 ± 0.0016 Å
• b: 14.308 ± 0.002 Å
• c: 16.102 ± 0.002 Å
• α: 90°
• β: 108.785 ± 0.003°
• γ: 90°
• Cell volume: 2344 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes