Information card for entry 1561833

Structure parameters

• Formula: C39 H53 N11 O16 Y2
• Calculated formula: C39 H50 N11 O14.5 Y2
• Title of publication: Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes
• Authors of publication: Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 17.6029 ± 0.0006 Å
• b: 17.6029 ± 0.0006 Å
• c: 29.0488 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9001.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No