Information card for entry 2205649

Structure parameters

• Chemical name: Bis[μ-oxoaquadichloromolybdenum(VI)]‒cucurbit[6]uril 10.5-hydrate
• Formula: C36 H61 Cl4 Mo2 N24 O28.5
• Calculated formula: C36 H60 Cl4 Mo2 N24 O28.5
• Title of publication: A hydrated co-crystal of bis(μ-oxo-κ^2^<i>O</i>:<i>O</i>)bis[aquaoxodichloromolybdenum(VI)] with cucurbit[6]uril
• Authors of publication: Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m885 - m888
• a: 12.4125 ± 0.0005 Å
• b: 15.4864 ± 0.0006 Å
• c: 17.5542 ± 0.0007 Å
• α: 106.082 ± 0.001°
• β: 105.386 ± 0.001°
• γ: 106.52 ± 0.001°
• Cell volume: 2883.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No