Information card for entry 2231801

Structure parameters

• Chemical name: <i>cis</i>-Aquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide dihydrate
• Formula: C16 H18 I2 Mn N8 O3
• Calculated formula: C16 H18 I2 Mn N8 O3
• SMILES: [Mn]12(I)([OH2])([n]3cccnc3c3nccc[n]13)[n]1cccnc1c1nccc[n]21.[I-].O.O
• Title of publication: <i>cis</i>-Aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iodidomanganese(II) iodide dihydrate
• 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: m1414
• a: 14.2105 ± 0.0012 Å
• b: 21.5452 ± 0.0019 Å
• c: 7.7064 ± 0.0007 Å
• α: 90°
• β: 102.063 ± 0.002°
• γ: 90°
• Cell volume: 2307.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes