Information card for entry 7702543

Structure parameters

• Formula: C40 H46 Cl N4 O10 Pr
• Calculated formula: C40 H46 Cl N4 O10 Pr
• Title of publication: A Schiff-base bibracchial lariat ether selective receptor for lanthanide(III) ions
• Authors of publication: Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Adams, H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1699
• a: 19.3099 ± 0.0011 Å
• b: 10.7631 ± 0.0006 Å
• c: 21.0674 ± 0.0012 Å
• α: 90°
• β: 114.91 ± 0.001°
• γ: 90°
• Cell volume: 3971.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No