Information card for entry 4077584

Structure parameters

• Formula: C32 H56 B10 Na2 O4
• Calculated formula: C32 H56 B10 Na2 O4
• Title of publication: Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System
• Authors of publication: Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5447
• a: 14.1961 ± 0.0013 Å
• b: 16.1407 ± 0.0015 Å
• c: 17.4693 ± 0.0017 Å
• α: 90°
• β: 93.745 ± 0.002°
• γ: 90°
• Cell volume: 3994.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.2361
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No