Information card for entry 2013608

Structure parameters

• Chemical name: 1,2-Dicarboxy-1,2-dicarba-closo-dodecaborane(12)
• Formula: C5 H15 B10 O4.5
• Calculated formula: C5 H15 B10 O4.5
• Title of publication: Crystal engineering with heteroboranes. II. 1,2-Dicarboxy-1,2-dicarba-<i>closo</i>-dodecaborane(12) ethanol hemisolvate
• Authors of publication: Ulaganathan Venkatasubramanian; David Ellis; Georgina M. Rosair; Alan J. Welch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o559 - o561
• a: 12.133 ± 0.005 Å
• b: 12.658 ± 0.005 Å
• c: 19.104 ± 0.005 Å
• α: 76.39 ± 0.005°
• β: 73.26 ± 0.005°
• γ: 76.62 ± 0.005°
• Cell volume: 2688.2 ± 1.7 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes