Information card for entry 4124323

Structure parameters

• Formula: C176 H208 Cu6 N16 O24
• Calculated formula: C176 H208 Cu6 N16 O24
• Title of publication: Formation of a Dicopper Platform Based Polyrotaxane Whose "String" and "Bead" Are Constructed from the Same Components.
• Authors of publication: Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9535 - 9538
• a: 20.0941 ± 0.001 Å
• b: 22.6578 ± 0.0012 Å
• c: 24.6497 ± 0.0014 Å
• α: 89.59 ± 0.003°
• β: 89.825 ± 0.003°
• γ: 88.059 ± 0.003°
• Cell volume: 11215.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1953
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3531
• Weighted residual factors for all reflections included in the refinement: 0.3798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No