Information card for entry 1508205

Structure parameters

• Formula: C35 H55 Cu2 N O19
• Calculated formula: C35 H47.02 Cu2 N O16
• Title of publication: Metal-organic frameworks with dynamic interlocked components.
• Authors of publication: Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 456 - 460
• a: 23.127 ± 0.004 Å
• b: 23.127 ± 0.004 Å
• c: 19.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9136 ± 3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2182
• Residual factor for significantly intense reflections: 0.1994
• Weighted residual factors for significantly intense reflections: 0.5549
• Weighted residual factors for all reflections included in the refinement: 0.5617
• Goodness-of-fit parameter for all reflections included in the refinement: 2.363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No