Information card for entry 2231544

Structure parameters

• Chemical name: dichlorido(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 Cl2 Mn N6
• Calculated formula: C18 H12 Cl2 Mn N6
• SMILES: [Mn]12(Cl)(Cl)[n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2
• Title of publication: A monoclinic polymorph of dichlorido(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: 9
• Pages of publication: m1306
• a: 10.8799 ± 0.0009 Å
• b: 19.5524 ± 0.0016 Å
• c: 8.6446 ± 0.0007 Å
• α: 90°
• β: 101.051 ± 0.002°
• γ: 90°
• Cell volume: 1804.9 ± 0.3 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: 0.098
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No