Information card for entry 7109568

Structure parameters

• Common name: cadmium sulfonyldibenzoate
• Formula: C14 H8 Cd O7.44 S
• Calculated formula: C14 H8 Cd O7.435 S
• Title of publication: Effect of ligand geometry on selective gas-adsorption: the case of a microporous cadmium metal organic framework with a V-shaped linker
• Authors of publication: Anna M. Plonka; Debasis Banerjee; William R. Woerner; Zhijuan Zhang; Jing Li; John B. Parise
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7055
• a: 13.3382 ± 0.0004 Å
• b: 21.4986 ± 0.0007 Å
• c: 10.1527 ± 0.0006 Å
• α: 90°
• β: 95 ± 0.001°
• γ: 90°
• Cell volume: 2900.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.062
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No