Information card for entry 1515891

Structure parameters

• Formula: C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4
• Calculated formula: C196 H184 Cl8 F12 N8 O20 P8 Pd4 S4
• Title of publication: Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis
• Authors of publication: Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M.
• Journal of publication: Faraday Discussions
• Year of publication: 2010
• Journal volume: 145
• Pages of publication: 27
• a: 21.659 ± 0.013 Å
• b: 23.21 ± 0.019 Å
• c: 26.022 ± 0.014 Å
• α: 90°
• β: 100.67 ± 0.05°
• γ: 90°
• Cell volume: 12855 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1076
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No