Information card for entry 4333469

Structure parameters

• Formula: C20 H22 Cd3 N2 O30 P4
• Calculated formula: C20 H22 Cd3 N2 O30 P4
• Title of publication: [Cd3(H2O)3((O3PCH2)2NH−CH2C6H4−COOH)2]·11H2O: A Layered Cadmium Phosphonate with Reversible Dehydration/Hydration Properties
• Authors of publication: Bauer, Sebastian; Marrot, Jérôme; Devic, Thomas; Férey, Gérard; Stock, Norbert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9998 - 10002
• a: 5.4503 ± 0.0009 Å
• b: 12.88 ± 0.002 Å
• c: 16.417 ± 0.003 Å
• α: 67.841 ± 0.006°
• β: 80.633 ± 0.006°
• γ: 87.688 ± 0.008°
• Cell volume: 1052.8 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No