Information card for entry 4322104

Structure parameters

• Formula: C45 H45 N15 O25 Y2
• Calculated formula: C45 H45 N15 O25 Y2
• Title of publication: 1H NMR in Solution and Solid State Structural Study of Lanthanide(III) Cryptates
• Authors of publication: C. Platas; F. Avecilla; A. de Blas; C. F. G. C. Geraldes; T. Rodríguez-Blas; H. Adams; J. Mahía
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3190 - 3199
• a: 12.723 ± 0.002 Å
• b: 14.047 ± 0.003 Å
• c: 16.943 ± 0.003 Å
• α: 66.07 ± 0.02°
• β: 79.838 ± 0.012°
• γ: 81.616 ± 0.014°
• Cell volume: 2715.1 ± 1 ų
• Cell temperature: 570 ± 2 K
• Ambient diffraction temperature: 570 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections: 0.2618
• Weighted residual factors for significantly intense reflections: 0.2333
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No