Information card for entry 7104301

Structure parameters

• Common name: H5 Gd(H2O)4 (C24H8O24S8) (C12H8N2)4
• Formula: C72 H53 Gd N8 O28 S8
• Calculated formula: C72 H40 Gd N8 O28 S8
• Title of publication: Macroscopic single-crystal tubes assembled with porous supramolecular architecture of water-soluble calixarene and phenanthroline.
• Authors of publication: Liao, Wuping; Li, Yanling; Wang, Xiaofei; Bi, Yanfeng; Su, Zhongmin; Zhang, Hongjie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 1861 - 1863
• a: 14.3385 ± 0.0008 Å
• b: 18.1828 ± 0.001 Å
• c: 19.2533 ± 0.0011 Å
• α: 112.598 ± 0.001°
• β: 92.753 ± 0.001°
• γ: 97.722 ± 0.001°
• Cell volume: 4564.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No