Information card for entry 2014311

Structure parameters

• Chemical name: Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]
• Formula: C6 H12 Ba O12 Zn
• Calculated formula: C6 H12 Ba O12 Zn
• Title of publication: Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]
• Authors of publication: Guo Ming-Lin; Guo Chen-Hu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m7 - m9
• a: 19.014 ± 0.003 Å
• b: 6.8434 ± 0.001 Å
• c: 9.4203 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.8 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes