Information card for entry 7107810

Structure parameters

• Formula: C22.5 H24.5 B2 Cl1.5 F6 N2 O4
• Calculated formula: C22.5 H24.5 B2 Cl1.5 F6 N2 O4
• Title of publication: An inorganic propellane with central B‒B bond
• Authors of publication: Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 47
• Pages of publication: 5886 - 5888
• a: 12.1883 ± 0.0006 Å
• b: 15.1818 ± 0.0008 Å
• c: 16.1826 ± 0.0008 Å
• α: 110.842 ± 0.004°
• β: 106.505 ± 0.004°
• γ: 98.129 ± 0.004°
• Cell volume: 2583.1 ± 0.3 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: 0.0748
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No