Information card for entry 2228692

Structure parameters

• Chemical name: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(II)
• Formula: C20 H14 O10 Zn
• Calculated formula: C20 H14 O10 Zn
• SMILES: c12OC3C(C(=O)O[Zn]4([O]=3)([OH2])([O]=C3Oc5ccccc5C=C3C(=O)O4)[OH2])=Cc2cccc1
• Title of publication: Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(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: 1
• Pages of publication: m69
• a: 6.6113 ± 0.0013 Å
• b: 6.8404 ± 0.0014 Å
• c: 10.392 ± 0.002 Å
• α: 85.64 ± 0.03°
• β: 89.47 ± 0.03°
• γ: 66.09 ± 0.03°
• Cell volume: 428.27 ± 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: 0.0221
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes