Information card for entry 7127004

Structure parameters

• Formula: C76 H70 Cl7 N8 O6
• Calculated formula: C69 H56 N8 O6
• Title of publication: Self-assembly of a porous metallo-[5]rotaxane.
• Authors of publication: Wong, Kevin Kei Gwan; Hoyas Pérez, Nadia; White, Andrew J. P.; Lewis, James E. M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 72
• Pages of publication: 10453 - 10456
• a: 23.7142 ± 0.001 Å
• b: 24.8126 ± 0.0005 Å
• c: 26.7983 ± 0.001 Å
• α: 90°
• β: 108.122 ± 0.004°
• γ: 90°
• Cell volume: 14986.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No