Information card for entry 4106456

Structure parameters

• Common name: 2
• Formula: C80 H96 Cu8 O32 S8
• Calculated formula: C80 H88 Cu8 O32 S8
• Title of publication: Coordination Polymer Chains of Dimeric Pyrogallol[4]arene Capsules
• Authors of publication: Drew A. Fowler; Andrew V. Mossine; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11069 - 11071
• a: 15.458 ± 0.002 Å
• b: 15.849 ± 0.002 Å
• c: 26.379 ± 0.004 Å
• α: 102.989 ± 0.002°
• β: 93.986 ± 0.002°
• γ: 100.137 ± 0.002°
• Cell volume: 6158.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No