Information card for entry 4342605

Structure parameters

• Formula: C32 H63 B11 Na O8
• Calculated formula: C32 H63 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: 9.8055 ± 0.001 Å
• b: 12.1666 ± 0.0013 Å
• c: 34.318 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4094.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No