Information card for entry 4505760

Structure parameters

• Chemical name: 4,4,4',4'-tetramethyl-p-phenylenediamine. 1,8-dibromoperfluorooctane
• Formula: C18 H16 Br2 F16 N2
• Calculated formula: C18 H16 Br2 F16 N2
• Title of publication: Perfluorocarbon−Hydrocarbon Self-Assembly: First Crystalline Halogen-Bonded Complex Involving Bromoperfluoroalkanes
• Authors of publication: Liantonio, Rosalba; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 799
• a: 5.5807 ± 0.001 Å
• b: 6.1359 ± 0.001 Å
• c: 18.425 ± 0.003 Å
• α: 92.881 ± 0.003°
• β: 92.386 ± 0.003°
• γ: 90.412 ± 0.003°
• Cell volume: 629.55 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0566
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No