Information card for entry 7000584

Structure parameters

• Common name: Bis(pentafluorophenyl)(nonfluorobiphenyl)boron acetonitrile, acetonitrile solvate
• Chemical name: Bis(pentafluorophenyl)(nonfluorobiphenyl)boron acetonitrile, acetonitrile solvate
• Formula: C28 H6 B F19 N2
• Calculated formula: C28 H6 B F19 N2
• Title of publication: The synthesis, structure and reactivity of 4-nonafluorobiphenyl complexes
• Authors of publication: Martin, Eddy; Hughes, David L.; Hursthouse, Michael B.; Male, Louise; Lancaster, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1593 - 1601
• a: 10.1502 ± 0.0004 Å
• b: 9.942 ± 0.0003 Å
• c: 27.4704 ± 0.0011 Å
• α: 90°
• β: 99.069 ± 0.004°
• γ: 90°
• Cell volume: 2737.47 ± 0.18 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No