Information card for entry 1568204

Structure parameters

• Formula: C186 H316 N48 O84 Yb12
• Calculated formula: C186 H316 N48 O84 Yb12
• Title of publication: Chelating chloride using binuclear lanthanide complexes in water.
• Authors of publication: Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1194 - 1204
• a: 28.4973 ± 0.0007 Å
• b: 15.9022 ± 0.0003 Å
• c: 39.7702 ± 0.0008 Å
• α: 90°
• β: 103.219 ± 0.002°
• γ: 90°
• Cell volume: 17545.1 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections: 0.2144
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0303
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No