Information card for entry 7122916

Structure parameters

• Formula: C24 H17 F4 I O3 P Rh
• Calculated formula: C24 H17 F4 I O3 P Rh
• Title of publication: Halogen Bonding Effects on the Outcome of Reactions at Metal Centres
• Authors of publication: Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.3666 ± 0.0003 Å
• b: 16.2246 ± 0.0005 Å
• c: 15.3879 ± 0.0005 Å
• α: 90°
• β: 98.1649 ± 0.0008°
• γ: 90°
• Cell volume: 2314.78 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No