Information card for entry 7013291

Structure parameters

• Formula: C94 H115 B4 F16 N9 O10 Pd2
• Calculated formula: C94 H115 B4 F16 N9 O10 Pd2
• Title of publication: Palladium(ii)-directed formation of pseudo-rotaxanes : the 3 + 1 approach to threaded species using square-planar geometries
• Authors of publication: Hamann, C.; Kern, J.-M.; Sauvage, J.-P.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3770
• a: 13.1827 ± 0.0002 Å
• b: 18.5474 ± 0.0002 Å
• c: 20.6953 ± 0.0004 Å
• α: 101.281 ± 0.005°
• β: 90.583 ± 0.005°
• γ: 102.957 ± 0.005°
• Cell volume: 4828.25 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 1.199
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections: 25.708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No