Information card for entry 1561840

Structure parameters

• Formula: C39 H52 Gd N11 O15.5 Y
• Calculated formula: C39 H50 Gd N11 O14.5 Y
• 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: 17.6312 ± 0.0004 Å
• b: 17.6312 ± 0.0004 Å
• c: 29.2044 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9078.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No