Information card for entry 2214620

Structure parameters

• Chemical name: Aquabis(2,4-dichloro-6-formylphenolato-κ^2^O,O')(N,N'-dimethylformamide-\ κO)manganese(II)
• Formula: C17 H15 Cl4 Mn N O6
• Calculated formula: C17 H15 Cl4 Mn N O6
• SMILES: c12c(cc(cc1C=[O][Mn]1(O2)(Oc2c(cc(cc2C=[O]1)Cl)Cl)([O]=CN(C)C)[OH2])Cl)Cl
• Title of publication: Aquabis(2,4-dichloro-6-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)manganese(II)
• Authors of publication: Li, Guang-Zhao; Zhang, Shu-Hua; Liu, Zheng; Jin, Li-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2107 - m2107
• a: 10.479 ± 0.002 Å
• b: 8.9988 ± 0.0018 Å
• c: 22.561 ± 0.005 Å
• α: 90°
• β: 92.51 ± 0.03°
• γ: 90°
• Cell volume: 2125.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1249
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes