Information card for entry 4124245

Structure parameters

• Formula: C124.63 H129.15 F9 Lu N9 O22.63 S3
• Calculated formula: C124.635 H129.175 F9 Lu N9 O22.635 S3
• Title of publication: Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.
• Authors of publication: Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10437 - 10442
• a: 17.7797 ± 0.0004 Å
• b: 22.7717 ± 0.0004 Å
• c: 31.2128 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12637.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No