Information card for entry 2233058

Structure parameters

• Chemical name: Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)
• Formula: C18 H12 Br2 Mn N6
• Calculated formula: C18 H12 Br2 Mn N6
• SMILES: [Mn]12(Br)(Br)[n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2
• Title of publication: Dibromido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)
• 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: m1655
• a: 8.7095 ± 0.0019 Å
• b: 10.498 ± 0.002 Å
• c: 11.213 ± 0.003 Å
• α: 110.094 ± 0.004°
• β: 98.471 ± 0.004°
• γ: 91.82 ± 0.005°
• Cell volume: 948.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes