Information card for entry 4106457

Structure parameters

• Common name: 3
• Formula: C102 H96 Cu8 N6 O28 S4
• Calculated formula: C102 H88 Cu8 N6 O28 S4
• 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: 15.268 ± 0.004 Å
• b: 15.399 ± 0.004 Å
• c: 26.583 ± 0.006 Å
• α: 103.563 ± 0.003°
• β: 96.004 ± 0.003°
• γ: 97.402 ± 0.003°
• Cell volume: 5966 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1369
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No