Information card for entry 2214111

Structure parameters

• Chemical name: Poly[bis(μ~3~-dihydrogen malonato)calcium(II)]
• Formula: C6 H6 Ca O8
• Calculated formula: C6 H6 Ca O8
• SMILES: C(=O)(CC(=O)[O-])O.[Ca+2].C(=O)(CC(=O)[O-])O
• Title of publication: Poly[bis(μ~3~-dihydrogen malonato)calcium(II)]
• Authors of publication: Aliouane, K.; Rahahlia, N.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1834 - m1836
• a: 7.8705 ± 0.0001 Å
• b: 7.8705 ± 0.0001 Å
• c: 13.4367 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 832.33 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes