Information card for entry 2210293

Structure parameters

• Chemical name: Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-trizine-κ^2^N,N']manganese(II) monohydrate
• Formula: C40 H30 Cl2 Mn N8 O
• Calculated formula: C40 H30 Cl2 Mn N8 O
• SMILES: [Mn]12(Cl)(Cl)([n]3ccccc3c3nc(c4ccccc4)c(n[n]13)c1ccccc1)[n]1ccccc1c1nc(c3ccccc3)c(n[n]21)c1ccccc1.O
• Title of publication: Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^<i>N</i>,<i>N</i>']manganese(II) monohydrate
• Authors of publication: Eltayeb, Naser Eltaher; Guan, Teoh Siang; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2284 - m2286
• a: 24.61 ± 0.005 Å
• b: 16.166 ± 0.003 Å
• c: 8.959 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3564.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.083
• 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: Yes