Information card for entry 2225147

Structure parameters

• Chemical name: Bis{μ-4,4'-dibromo-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}bis[chloridomanganese(III)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C46 H38 Br4 Cl2 Mn2 N6 O6
• Calculated formula: C46 H38 Br4 Cl2 Mn2 N6 O6
• SMILES: [N]12c3ccccc3[N]3[Mn]2(Oc2c(C=1)cc(Br)cc2)(Cl)Oc1ccc(cc1C=3)Br.O=CN(C)C
• Title of publication: Bis{μ-4,4'-dibromo-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}bis[chloridomanganese(III)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m233 - m234
• a: 9.7804 ± 0.0006 Å
• b: 20.1342 ± 0.0012 Å
• c: 11.8593 ± 0.0006 Å
• α: 90°
• β: 90.938 ± 0.001°
• γ: 90°
• Cell volume: 2335 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes