Information card for entry 1570391

Structure parameters

• Chemical name: (dibromomethyl)(triphenyl)phosphanium bromide
• Formula: C19 H16 Br3 P
• Calculated formula: C19 H16 Br3 P
• Title of publication: Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.
• Authors of publication: Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 298 - 306
• a: 17.7546 ± 0.0004 Å
• b: 15.532 ± 0.0003 Å
• c: 28.3321 ± 0.0006 Å
• α: 90°
• β: 99.228 ± 0.001°
• γ: 90°
• Cell volume: 7711.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No