Information card for entry 4115857

Structure parameters

• Chemical name: closo-2,3,4,5,6,7,8,9,10,11-decamethoxy-1,12-bis(sulfonic acid methyl ester)-1,12-dicarbadodecaborane(12)
• Formula: C14 H36 B10 O16 S2
• Calculated formula: C14 H36 B10 O16 S2
• Title of publication: Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)
• Authors of publication: Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 12791 - 12797
• a: 15.5395 ± 0.0015 Å
• b: 13.5678 ± 0.0014 Å
• c: 13.6715 ± 0.0014 Å
• α: 90°
• β: 93.092 ± 0.002°
• γ: 90°
• Cell volume: 2878.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No