Information card for entry 2240171

Structure parameters

• Formula: C4 H22 B20
• Calculated formula: C4 H22 B20
• Title of publication: Definitive crystal structure of 1,1'-bis[1,2-dicarba-<i>closo</i>-dodecaborane(11)]
• Authors of publication: Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 462 - 465
• a: 7.0011 ± 0.0005 Å
• b: 9.7667 ± 0.0006 Å
• c: 12.4071 ± 0.0008 Å
• α: 90°
• β: 90.375 ± 0.003°
• γ: 90°
• Cell volume: 848.35 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes