Information card for entry 7102448

Structure parameters

• Common name: (NEt4)+(2-HOOC-closo-2-CB9H9)-
• Formula: C20 H60 B18 N2 O4
• Calculated formula: C20.25 H59 B18 N2 O4
• Title of publication: Polyhedral monocarbaborane chemistry. Carboxylic acid derivatives of the [closo-2-CB9H10]- anion.
• Authors of publication: Franken, Andreas; Kilner, Colin A; Kennedy, John D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 328 - 329
• a: 30.0062 ± 0.0003 Å
• b: 15.1936 ± 0.0002 Å
• c: 16.7407 ± 0.0002 Å
• α: 90°
• β: 112.029 ± 0.001°
• γ: 90°
• Cell volume: 7074.93 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No