Information card for entry 2236202

Structure parameters

• Chemical name: Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate
• Formula: C13 H15 Cl2 Mn N3 O
• Calculated formula: C13 H13 Cl2 Mn N3 O
• SMILES: [Mn]12(Cl)(Cl)[n]3ccccc3CC[N]1=Cc1[n]2cccc1.O
• Title of publication: Dichlorido[2-(pyridin-2-yl)-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']manganese(II) monohydrate
• Authors of publication: Tinguiano, Daniel; Thiam, Ibrahima Elhadj; Dieng, Moussa; Gaye, Mohamed; Retailleau, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1250
• a: 19.173 ± 0.003 Å
• b: 8.826 ± 0.001 Å
• c: 18.088 ± 0.002 Å
• α: 90°
• β: 94.009 ± 0.002°
• γ: 90°
• Cell volume: 3053.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes