Information card for entry 4335731

Structure parameters

• Formula: C18 H3 Br F26
• Calculated formula: C18 H3 Br F26
• SMILES: Brc1cc(cc(c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents
• Authors of publication: Subrata K. Ghosh; Ann Sullivan Ojeda; Juan Guerrero-Leal; Nattamai Bhuvanesh; John A. Gladysz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9369 - 9378
• a: 29.5335 ± 0.0013 Å
• b: 29.5335 ± 0.0013 Å
• c: 5.5624 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4851.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No