Information card for entry 7009406

Structure parameters

• Formula: C41 H50 Cl3 N9 O16 Tl
• Calculated formula: C41 H48 Cl3 N9 O16 Tl
• Title of publication: Encapsulated Tl(III) strongly retained within an iminophenolate cryptand host
• Authors of publication: Drew, Michael G. B.; Howarth, Oliver W.; Martin, Noreen; Morgan, Grace G.; Nelson, Jane
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1275
• a: 12.072 ± 0.014 Å
• b: 13.025 ± 0.017 Å
• c: 17.76 ± 0.02 Å
• α: 89.353 ± 0.01°
• β: 72.936 ± 0.01°
• γ: 70.987 ± 0.01°
• Cell volume: 2513 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No