Information card for entry 4115856

Structure parameters

• Common name: bispotassium salt of closo-B-1,12-decahydroxy-bis(sulfonic acid)-p-carborane dihydrate
• Chemical name: K2 closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12) (H2O)2
• Formula: C2 H14 B10 K2 O18 S2
• Calculated formula: C2 H14 B10 K2 O18 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: 12.3129 ± 0.0018 Å
• b: 10.0702 ± 0.0013 Å
• c: 8.8975 ± 0.0012 Å
• α: 90°
• β: 126.471 ± 0.002°
• γ: 90°
• Cell volume: 887.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.516
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No