Information card for entry 2230480

Structure parameters

• Chemical name: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato- κ^2^<i>O</i>^2^,<i>O</i>^3^)manganese(II)
• Formula: C20 H14 Mn O10
• Calculated formula: C20 H14 Mn O10
• SMILES: c1c2c(OC3C(=C2)C(=O)O[Mn]2([O]=3)([O]=C3C(=Cc4ccccc4O3)C(=O)O2)([OH2])[OH2])ccc1
• Title of publication: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato-κ^2^<i>O</i>^2^,<i>O</i>^3^)manganese(II)
• Authors of publication: Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m727
• a: 6.7036 ± 0.0013 Å
• b: 6.9797 ± 0.0014 Å
• c: 10.424 ± 0.002 Å
• α: 93.28 ± 0.03°
• β: 90.67 ± 0.03°
• γ: 113.47 ± 0.03°
• Cell volume: 446.33 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes