Information card for entry 4335373

Structure parameters

• Formula: C22 H26 Br Cl F10 N2 O S
• Calculated formula: C22 H26 Br Cl 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: 6.9241 ± 0.0002 Å
• b: 12.7624 ± 0.0003 Å
• c: 16.727 ± 0.0004 Å
• α: 111.618 ± 0.001°
• β: 90.966 ± 0.002°
• γ: 93.449 ± 0.002°
• Cell volume: 1370.46 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No