Information card for entry 7026750

Structure parameters

• Formula: C117 H179 N11 O16 S0.5 U2
• Calculated formula: C117 H174 N11 O16 S0.5 U2
• Title of publication: Cluster control in oligouranyl complexes of p-t-butylcalix[8]arene.
• Authors of publication: Harrowfield, Jack M.; Ogden, Mark I.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8313 - 8318
• a: 21.445 ± 0.001 Å
• b: 23.349 ± 0.001 Å
• c: 28.256 ± 0.002 Å
• α: 89.153 ± 0.002°
• β: 76.002 ± 0.002°
• γ: 66.257 ± 0.001°
• Cell volume: 12511.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No