Information card for entry 7122913

Structure parameters

• Formula: C18 H10 F4 I P
• Calculated formula: C18 H10 F4 I P
• 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: 21.72 ± 0.003 Å
• b: 6.2838 ± 0.0009 Å
• c: 25.272 ± 0.004 Å
• α: 90°
• β: 105.274 ± 0.003°
• γ: 90°
• Cell volume: 3327.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No