Information card for entry 7008909

Structure parameters

• Formula: C40 H55 Dy2 N11 O16
• Calculated formula: C40 H49 Dy2 N11 O16
• 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: 17.717 ± 0.0003 Å
• b: 17.717 ± 0.0003 Å
• c: 29.18 Å
• α: 90 ± 0.1°
• β: 90 ± 0.1°
• γ: 90°
• Cell volume: 9159.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No