Information card for entry 7103016

Structure parameters

• Formula: C81 H126 O16.75
• Calculated formula: C81 H126 O16.75
• Title of publication: Rapid formation of metal-organic nano-capsules gives new insight into the self-assembly process.
• Authors of publication: Dalgarno, Scott J; Power, Nicholas P; Warren, John E; Atwood, Jerry L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1539 - 1541
• a: 12.017 ± 0.004 Å
• b: 13.104 ± 0.004 Å
• c: 26.595 ± 0.007 Å
• α: 86.693 ± 0.005°
• β: 78.65 ± 0.005°
• γ: 77.855 ± 0.005°
• Cell volume: 4013 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No