Information card for entry 1568201

Structure parameters

• Formula: C60 H108 Br2 Cl18 N8 Na2 O12
• Calculated formula: C60 H108 Br2 Cl18 N8 Na2 O12
• 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: 12.4765 ± 0.0003 Å
• b: 13.7256 ± 0.0003 Å
• c: 15.0782 ± 0.0003 Å
• α: 71.979 ± 0.002°
• β: 88.7149 ± 0.0018°
• γ: 78.9608 ± 0.0019°
• Cell volume: 2408.12 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1363
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9928
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No