Information card for entry 7103015

Structure parameters

• Formula: C120 H148.5 Cu12 O50.25
• Calculated formula: C120 H102 Cu12 O50.25
• 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: 36.361 ± 0.005 Å
• b: 32.987 ± 0.005 Å
• c: 24.64 ± 0.004 Å
• α: 90°
• β: 92.526 ± 0.004°
• γ: 90°
• Cell volume: 29526 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.5401
• Residual factor for significantly intense reflections: 0.2012
• Weighted residual factors for significantly intense reflections: 0.3325
• Weighted residual factors for all reflections included in the refinement: 0.4522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No