Information card for entry 7122319

Structure parameters

• Formula: C24 H15 F3 I3 P
• Calculated formula: C24 H15 F3 I3 P
• Title of publication: A rare example of a phosphine as a halogen bond acceptor.
• Authors of publication: Xu, Yijue; Huang, Jasmine; Gabidullin, Bulat; Bryce, David L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 78
• Pages of publication: 11041 - 11043
• a: 9.164 ± 0.0009 Å
• b: 10.9788 ± 0.0011 Å
• c: 13.5101 ± 0.0013 Å
• α: 87.947 ± 0.001°
• β: 72.521 ± 0.001°
• γ: 76.29 ± 0.001°
• Cell volume: 1258.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No