Information card for entry 4336680

Structure parameters

• Formula: C24 H39 B11 Cl10 Li N3 O6 S
• Calculated formula: C24 H39 B11 Cl10 Li N3 O6 S
• Title of publication: Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide
• Authors of publication: Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12308 - 12310
• a: 17.771 ± 0.002 Å
• b: 19.49 ± 0.002 Å
• c: 25.163 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8715.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No