Information card for entry 2222647

Structure parameters

• Chemical name: Triaquachlorido[3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one- κ<i>N</i>^1^]manganese(II) chloride
• Formula: C10 H18 Cl2 Mn N2 O4
• Calculated formula: C10 H18 Cl2 Mn N2 O4
• SMILES: [Mn]1(Cl)([n]2ccccc2C(C=CN(C)C)=[O]1)([OH2])([OH2])[OH2].[Cl-]
• Title of publication: Triaquachlorido[3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one-κ<i>N</i>^1^]manganese(II) chloride
• Authors of publication: Chu, Zhao-Lian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m855
• a: 8.7039 ± 0.0017 Å
• b: 9.3247 ± 0.0018 Å
• c: 10.1407 ± 0.0019 Å
• α: 98.029 ± 0.004°
• β: 98.036 ± 0.004°
• γ: 107.357 ± 0.003°
• Cell volume: 763.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes