Information card for entry 4127658

Structure parameters

• Formula: C69 H72 B2 F20 O12 Ru3 S4
• Calculated formula: C69 H72 B2 F20 O12 Ru3 S4
• Title of publication: π-Metalated [1₅]Paracyclophanes: Synthesis and Binding to Oxo-Anions via Anion-π Interactions.
• Authors of publication: Zeng, Hong; Liu, Peiren; Feng, Guoqin; Huang, Feihe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16501 - 16511
• a: 15.4626 ± 0.0003 Å
• b: 22.4905 ± 0.0004 Å
• c: 24.0086 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8349.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No