Information card for entry 2015254

Structure parameters

• Chemical name: Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]
• Formula: C6 H12 Ca Co O12
• Calculated formula: C6 H12 Ca Co O12
• SMILES: C1(=O)CC(O[Co]2(O1)([OH2])(OC(=O)CC(=O)O2)[OH2])=O.[Ca+2].O.O
• Title of publication: Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]
• Authors of publication: Djeghri Assia; Balegroune, Fadila; Guehria Laidoudi, Achoura; Toupet, Loic
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m126 - m128
• a: 13.874 ± 0.002 Å
• b: 7.531 ± 0.001 Å
• c: 13.615 ± 0.002 Å
• α: 90°
• β: 122.94 ± 0.02°
• γ: 90°
• Cell volume: 1193.9 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0244
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes