Information card for entry 2231841

Structure parameters

• Chemical name: <i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide monohydrate
• Formula: C16 H16 I2 Mn N8 O2
• Calculated formula: C16 H16 I2 Mn N8 O2
• SMILES: [Mn]12(I)([OH2])([n]3cccnc3c3nccc[n]13)[n]1cccnc1c1nccc[n]21.[I-].O
• Title of publication: <i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide monohydrate
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1453
• a: 7.8799 ± 0.0009 Å
• b: 12.8197 ± 0.0015 Å
• c: 12.9563 ± 0.0015 Å
• α: 113.302 ± 0.002°
• β: 101.695 ± 0.002°
• γ: 104.053 ± 0.003°
• Cell volume: 1098.6 ± 0.2 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: 0.1176
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes