Information card for entry 2208136

Structure parameters

• Chemical name: catena-Poly[[[diaquacalcium(II)]-di-μ-3-carboxyphenoxyacetato] dihydrate]
• Formula: C18 H22 Ca O14
• Calculated formula: C18 H22 Ca O14
• Title of publication: <i>catena</i>-Poly[[[diaquacalcium(II)]-di-μ-3-carboxyphenoxyacetato] dihydrate]
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m267 - m268
• a: 26.902 ± 0.005 Å
• b: 14.492 ± 0.003 Å
• c: 6.057 ± 0.001 Å
• α: 90°
• β: 101.28 ± 0.03°
• γ: 90°
• Cell volume: 2315.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.051
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes