Information card for entry 4335381

Structure parameters

• Formula: C22 H26 Br2 F10 N2 O S
• Calculated formula: C22 H26 Br2 F10 N2 O S
• Title of publication: Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions
• Authors of publication: Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7666 - 7672
• a: 7.1359 ± 0.0002 Å
• b: 12.644 ± 0.0003 Å
• c: 16.7753 ± 0.0004 Å
• α: 111.364 ± 0.001°
• β: 91.714 ± 0.001°
• γ: 92.93 ± 0.001°
• Cell volume: 1405.81 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No