Information card for entry 8103241

Structure parameters

• Chemical name: Bis(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) bis(triiodide)
• Formula: C36 H24 I6 Mn N12
• Calculated formula: C36 H24 I6 Mn N12
• SMILES: [Mn]1234([n]5c(nc(nc5c5[n]2cccc5)c2ncccc2)c2[n]1cccc2)[n]1c(nc(nc1c1[n]4cccc1)c1ncccc1)c1[n]3cccc1.I[I-]I.I[I-]I
• Title of publication: Crystal structure of bis(2,4,6-tri-2-pyridyl-1,3,5-triazine)manganese(II) bis(triiodide), [Mn(C18H12N6)2](I3)2
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 483
• a: 10.929 ± 0.0016 Å
• b: 15.328 ± 0.002 Å
• c: 25.553 ± 0.004 Å
• α: 90°
• β: 92.541 ± 0.004°
• γ: 90°
• Cell volume: 4276.4 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No