Information card for entry 7104751

Structure parameters

• Formula: C58 H78 Br Cu N4 O24 S2
• Calculated formula: C58 H78 Br Cu N4 O24 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: 27.257 ± 0.005 Å
• b: 14.035 ± 0.002 Å
• c: 21.84 ± 0.004 Å
• α: 90°
• β: 125.981 ± 0.004°
• γ: 90°
• Cell volume: 6761 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No