Information card for entry 2243678

Structure parameters

• Common name: Bis(tetraphenylphosphonium) bis(9,9-difluoro-10-oxa-9-boraphenanthren-9-ide) acetonitrile trisolvate
• Chemical name: Bis(tetraphenylphosphonium) 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide acetonitrile trisolvate
• Formula: C78 H65 B2 F4 N3 O2 P2
• Calculated formula: C78 H65 B2 F4 N3 O2 P2
• Title of publication: Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations
• Authors of publication: Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 1837 - 1840
• a: 10.3527 ± 0.0004 Å
• b: 13.5958 ± 0.0005 Å
• c: 23.4352 ± 0.0009 Å
• α: 86.218 ± 0.003°
• β: 78.916 ± 0.003°
• γ: 87.104 ± 0.003°
• Cell volume: 3227.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes