Information card for entry 7035518

Structure parameters

• Formula: C53 H50 B12 Br11 N O P2
• Calculated formula: C53 H50 B12 Br11 N O P2
• Title of publication: Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.
• Authors of publication: Jenne, Carsten; Kirsch, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13119 - 13124
• a: 11.8024 ± 0.0004 Å
• b: 38.8526 ± 0.0014 Å
• c: 13.9673 ± 0.0004 Å
• α: 90°
• β: 91.786 ± 0.002°
• γ: 90°
• Cell volume: 6401.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No