Information card for entry 7104750

Structure parameters

• Formula: C79 H85 Cu2 N5 O25 S2
• Calculated formula: C79 H85 Cu2 N5 O25 S2
• Title of publication: Eliminating the need for independent counterions in the construction of metal-organic rotaxane frameworks (MORFs).
• Authors of publication: Knight, Lisa K; Vukotic, V Nicholas; Viljoen, Elizabeth; Caputo, Christopher B; Loeb, Stephen J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5585 - 5587
• a: 10.756 ± 0.003 Å
• b: 11.397 ± 0.003 Å
• c: 17.365 ± 0.005 Å
• α: 103.58 ± 0.003°
• β: 98.407 ± 0.003°
• γ: 104.257 ± 0.003°
• Cell volume: 1957.8 ± 0.9 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: 0.0982
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No