Information card for entry 7110849

Structure parameters

• Formula: C178 H164 Co10 N9 O39
• Calculated formula: C178.02 H160.08 Co10 N9 O39.02
• Title of publication: Changing cage structures through inter-ligand repulsions
• Authors of publication: Graham, Alasdair; Meier, Stephanie; Parsons, Simon; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 811
• a: 19.054 ± 0.003 Å
• b: 19.054 ± 0.003 Å
• c: 81.851 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25735 ± 8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No