Information card for entry 4113332

Structure parameters

• Formula: C20.5 H30.5 Cl3.5 N2 O2 Ru
• Calculated formula: C20.5 H30.5 Cl3.5 N2 O2 Ru
• 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: 8.864 ± 0.001 Å
• b: 18.626 ± 0.006 Å
• c: 14.885 ± 0.005 Å
• α: 90°
• β: 100.814 ± 0.019°
• γ: 90°
• Cell volume: 2413.9 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No