Information card for entry 7008908

Structure parameters

• Formula: C43 H55 Dy N13 O12.5
• Calculated formula: C43 H54 Dy N13 O12.5
• Title of publication: Mono- and bimetallic lanthanide(III) phenolic cryptates obtained by template reaction: solid state structure, photophysical properties and relaxivity †
• Authors of publication: Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Geraldes, Carlos F. G. C.; Tóth, Éva; Merbach, André E.; Bünzli, Jean-Claude G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 611
• a: 10.067 ± 0.004 Å
• b: 12.504 ± 0.0019 Å
• c: 18.897 ± 0.004 Å
• α: 95.471 ± 0.015°
• β: 92.5 ± 0.02°
• γ: 96.038 ± 0.018°
• Cell volume: 2351.3 ± 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: 0.2123
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No