Information card for entry 4126710

Structure parameters

• Formula: C639.4 H781.8 Li28 O231 Ti16
• Calculated formula: C639.4 H781.8 Li28 O231 Ti16
• Title of publication: Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions.
• Authors of publication: Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 20.8829 ± 0.0008 Å
• b: 24.6072 ± 0.0004 Å
• c: 31.9981 ± 0.0006 Å
• α: 90°
• β: 95.362 ± 0.002°
• γ: 90°
• Cell volume: 16370.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No