Information card for entry 2232780

Structure parameters

• Chemical name: <i>cis</i>-Aquabromidobis(di-2-pyridylamine- κ^2^<i>N</i>,<i>N</i>')manganese(II) bromide
• Formula: C20 H20 Br2 Mn N6 O
• Calculated formula: C20 H20 Br2 Mn N6 O
• SMILES: [Mn]12(Br)([OH2])([n]3ccccc3Nc3[n]1cccc3)[n]1ccccc1Nc1[n]2cccc1.[Br-]
• Title of publication: <i>cis</i>-Aquabromidobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) bromide
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1773
• a: 8.399 ± 0.0015 Å
• b: 10.0022 ± 0.0018 Å
• c: 13.613 ± 0.002 Å
• α: 90.692 ± 0.004°
• β: 103.619 ± 0.004°
• γ: 98.556 ± 0.004°
• Cell volume: 1097.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes