Information card for entry 7711716

Structure parameters

• Formula: C66 H69 Cl2 N14 O35 Yb2
• Calculated formula: C66 H69 Cl2 N14 O35 Yb2
• 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: 16.0996 ± 0.0014 Å
• b: 17.255 ± 0.002 Å
• c: 20.707 ± 0.0018 Å
• α: 87.265 ± 0.002°
• β: 77.241 ± 0.001°
• γ: 63.27 ± 0.001°
• Cell volume: 5002 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No