Information card for entry 7111868

Structure parameters

• Formula: C23 H45.56 N7 O4.28
• Calculated formula: C23 H45.56 N7 O4.28
• Title of publication: Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid
• Authors of publication: Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1582
• a: 9.6189 ± 0.0002 Å
• b: 32.1984 ± 0.0007 Å
• c: 8.6632 ± 0.0002 Å
• α: 90°
• β: 99.538 ± 0.001°
• γ: 90°
• Cell volume: 2646.02 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No