Information card for entry 7110875

Structure parameters

• Formula: C199 H247 N15 O26 U4
• Calculated formula: C199 H206 N15 O26 U4
• Title of publication: Using a large calixarene as a polyalkoxide ligand: tert-butylcalix[12]arene and its complex with the uranyl cation
• Authors of publication: Leverd, Pascal C.; Nierlich, Martine; Dumazet-Bonnamour, Isabelle; Lamartine, Roger
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 493
• a: 10.099 ± 0.002 Å
• b: 22.133 ± 0.004 Å
• c: 25.109 ± 0.005 Å
• α: 114.39 ± 0.03°
• β: 94.07 ± 0.03°
• γ: 97.5 ± 0.03°
• Cell volume: 5019 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3007
• Residual factor for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections: 0.3604
• Weighted residual factors for significantly intense reflections: 0.2578
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No