Information card for entry 2017728

Structure parameters

• Common name: Poly[diaquabis(μ~3~-2,2-dimethylmalonato)calcium(II)copper(II)]
• Chemical name: Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]
• Formula: C10 H16 Ca Cu O10
• Calculated formula: C10 H16 Ca Cu O10
• SMILES: [Ca]([OH2])[OH2].O1[Cu]2(OC(=[O])C(C1=O)(C)C)OC(=O)C(C(O2)=O)(C)C
• Title of publication: Poly[diaquabis(μ~3~-2,2-dimethylpropanedioato)calcium(II)copper(II)]
• Authors of publication: Guo, Ming-Lin; Wang, Feng-Qin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m184 - m187
• a: 9.0113 ± 0.0018 Å
• b: 9.6052 ± 0.0019 Å
• c: 9.6248 ± 0.0019 Å
• α: 79.95 ± 0.03°
• β: 72.14 ± 0.03°
• γ: 71.4 ± 0.03°
• Cell volume: 748.8 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes