Information card for entry 4306476

Structure parameters

• Formula: B10 F H13
• Calculated formula: B10 F H13
• Title of publication: Crystallographic Characterizations and New High-Yield Synthetic Routes for the Complete Series of 6-X-B10H13 Halodecaboranes (X = F, Cl, Br, I) via Superacid-Induced Cage-Opening Reactions ofcloso-B10H102-
• Authors of publication: William C. Ewing; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8580 - 8582
• a: 12.639 ± 0.003 Å
• b: 5.6456 ± 0.0011 Å
• c: 12.645 ± 0.003 Å
• α: 90°
• β: 107.966 ± 0.005°
• γ: 90°
• Cell volume: 858.3 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No