Information card for entry 4322101

Structure parameters

• Formula: C40 H54 Ce N11 O14
• Calculated formula: C40 H51 Ce N11 O14
• 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: 10.853 ± 0.003 Å
• b: 12.746 ± 0.003 Å
• c: 17.907 ± 0.005 Å
• α: 98.09 ± 0.02°
• β: 89.99 ± 0.02°
• γ: 96.34 ± 0.02°
• Cell volume: 2437.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No