Information card for entry 7203721

Structure parameters

• Formula: C21 H39 Cd1.5 N2 O18 S
• Calculated formula: C21 H39 Cd1.5 N2 O18 S
• Title of publication: (H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt
• Authors of publication: Liu, Qing -Yan; Xu, Li
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 87
• a: 7.4613 ± 0.0009 Å
• b: 20.3543 ± 0.0019 Å
• c: 20.47 ± 0.002 Å
• α: 90°
• β: 95.439 ± 0.006°
• γ: 90°
• Cell volume: 3094.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No