Information card for entry 8103179

Structure parameters

• Chemical name: Tris(2,2'-bipyrimidine-κ^2^N,N')manganese(II) bis(triiodide) - nitromethane (1:1)
• Formula: C25 H21 I6 Mn N13 O2
• Calculated formula: C25 H21 I6 Mn N13 O2
• SMILES: [Mn]123([n]4cccnc4c4nccc[n]14)([n]1cccnc1c1nccc[n]21)[n]1cccnc1c1nccc[n]31.I[I-]I.I[I-]I.O=N(=O)C
• Title of publication: Crystal structure of tris(2,2'-bipyrimidine-?2N,N')manganese(II) bis(triiodide) — nitromethane (1:1), [Mn(C8H6N4)3][I3]2 · CH3NO2
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 365
• a: 11.2462 ± 0.0011 Å
• b: 14.0159 ± 0.0014 Å
• c: 14.0417 ± 0.0014 Å
• α: 60.163 ± 0.002°
• β: 84.072 ± 0.002°
• γ: 85.667 ± 0.002°
• Cell volume: 1908.9 ± 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: 0.1168
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No