Information card for entry 4113333

Structure parameters

• Formula: C60 H84 N6 O12 Ru3
• Calculated formula: C60 H78 N6 O12 Ru3
• Title of publication: pH-Triggered Assembly of Organometallic Receptors for Lithium Ions
• Authors of publication: Zacharias Grote; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16959 - 16972
• a: 13.0075 ± 0.0009 Å
• b: 24.6431 ± 0.0014 Å
• c: 18.6453 ± 0.0009 Å
• α: 90°
• β: 90.045 ± 0.005°
• γ: 90°
• Cell volume: 5976.7 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No