Information card for entry 4106458

Structure parameters

• Common name: 4
• Formula: C80 H72 Cu8 N3 O27.5
• Calculated formula: C80 H58 Cu8 N3 O27.5
• 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: 14.4861 ± 0.0005 Å
• b: 14.5856 ± 0.0005 Å
• c: 22.0546 ± 0.0007 Å
• α: 75.001 ± 0.002°
• β: 75.107 ± 0.002°
• γ: 67.849 ± 0.002°
• Cell volume: 4102.2 ± 0.2 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: 0.0697
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No