Information card for entry 7711715

Structure parameters

• Formula: C35 H41.8 F7 N7 O11.6 Yb
• Calculated formula: C35 H41.8 F7 N7 O11.6 Yb
• Title of publication: Improved emission of Yb(III) ions in triazacyclononane-based macrocyclic ligands compared to cyclen-based ones.
• Authors of publication: Kiraev, Salauat R.; Mathieu, Emilie; Kovacs, Daniel; Wells, Jordann A. L.; Tomar, Monika; Andres, Julien; Borbas, K. Eszter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 43
• Pages of publication: 16596 - 16604
• a: 13.02 ± 0.0014 Å
• b: 22.477 ± 0.002 Å
• c: 14.9599 ± 0.0016 Å
• α: 90°
• β: 113.294 ± 0.002°
• γ: 90°
• Cell volume: 4021.2 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No