Information card for entry 2216613

Structure parameters

• Chemical name: Dichlorido[1-(2-pyridyl)ethanone oximato][1-(2-pyridyl)ethanone oxime]manganese(III)
• Formula: C14 H15 Cl2 Mn N4 O2
• Calculated formula: C14 H15 Cl2 Mn N4 O2
• SMILES: [Mn]12(Cl)(Cl)([n]3c(C(=[N]1O)C)cccc3)[n]1c(C(=N2=O)C)cccc1
• Title of publication: Dichlorido[1-(2-pyridyl)ethanone oximato][1-(2-pyridyl)ethanone oxime]manganese(III)
• Authors of publication: Jian Zuo; Jianmin Dou; Dacheng Li; Daqi Wang; Yuying Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3183 - m3184
• a: 8.908 ± 0.004 Å
• b: 10.59 ± 0.005 Å
• c: 18.555 ± 0.008 Å
• α: 90°
• β: 92.604 ± 0.005°
• γ: 90°
• Cell volume: 1748.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes