Information card for entry 4342604

Structure parameters

• Formula: C26 H59 B11 Na O8
• Calculated formula: C26 H51 B11 Na O8
• Title of publication: Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.
• Authors of publication: Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1965 - 1973
• a: 31.94 ± 0.015 Å
• b: 11.552 ± 0.005 Å
• c: 10.369 ± 0.005 Å
• α: 90°
• β: 101.995 ± 0.011°
• γ: 90°
• Cell volume: 3742 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1688
• Residual factor for significantly intense reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.4409
• Weighted residual factors for all reflections included in the refinement: 0.4853
• Goodness-of-fit parameter for all reflections included in the refinement: 2.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No