Information card for entry 2015341

Structure parameters

• Common name: [CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~]
• Chemical name: Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]
• Formula: C6 H12 Ca O12 Zn
• Calculated formula: C6 H12 Ca O12 Zn
• SMILES: C1(CC(=O)O[Zn]2([OH2])(O1)(OC(=O)CC(=O)O2)[OH2])=O.[Ca+2].O.O
• Title of publication: Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]
• Authors of publication: Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m258 - m260
• a: 13.9736 ± 0.0017 Å
• b: 7.5445 ± 0.0009 Å
• c: 13.1729 ± 0.0015 Å
• α: 90°
• β: 119.788 ± 0.002°
• γ: 90°
• Cell volume: 1205.2 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No