Information card for entry 2216662

Structure parameters

• Common name: Bis(glycine) calcium(II) diiodide trihydrate
• Chemical name: catena-Poly[[[triaquacalcium(II)]-di-μ-glycine-κ^4^O:O'] diiodide]
• Formula: C4 H16 Ca I2 N2 O7
• Calculated formula: C4 H16 Ca I2 N2 O7
• Title of publication: <i>catena</i>-Poly[[[triaquacalcium(II)]-di-μ-glycine-κ^4^<i>O</i>:<i>O</i>'] diiodide]
• Authors of publication: S. Natarajan; G. Shanmugam; S. A. Martin Britto Dhas; S. Athimoolam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2897 - m2898
• a: 13.065 ± 0.008 Å
• b: 9.861 ± 0.004 Å
• c: 22.731 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2929 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes