Information card for entry 4115463

Structure parameters

• Common name: Ru-C5H3NO2-C10H14
• Formula: C48.5 H65 N3 O11 Ru3
• Calculated formula: C48.5 H55 N3 O11 Ru3
• Title of publication: A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+
• Authors of publication: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 2699 - 2700
• a: 9.8458 ± 0.0007 Å
• b: 11.7704 ± 0.0008 Å
• c: 21.5444 ± 0.0015 Å
• α: 97.819 ± 0.008°
• β: 90.981 ± 0.008°
• γ: 100.83 ± 0.008°
• Cell volume: 2427.2 ± 0.3 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No