Information card for entry 2206959

Structure parameters

• Chemical name: Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23- tetrasulfonate monohydrate clathrate
• Formula: C24 H38 Cd2 O29 S8
• Calculated formula: C24 H38 Cd2 O29 S8
• Title of publication: Bis[hexaaquacadmium(II)] 25,26,27,28-tetrahydroxy-2,8,14,19-tetrathiacalix[4]arene-5,11,17,23-tetrasulfonate monohydrate clathrate
• Authors of publication: Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Li-Ya Wang; Seik Weng Ng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1957 - m1959
• a: 13.1183 ± 0.0005 Å
• b: 14.2581 ± 0.0006 Å
• c: 13.1854 ± 0.0005 Å
• α: 90°
• β: 113.563 ± 0.001°
• γ: 90°
• Cell volume: 2260.59 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.13
• 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