Information card for entry 4317062

Structure parameters

• Chemical name: N-(1,7-Dicarba-closo-dodecaboran-9-yl)trifluoroacetamide
• Formula: C4 H12 B10 F3 N O
• Calculated formula: C4 H12 B10 F3 N O
• Title of publication: Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes
• Authors of publication: Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10627 - 10634
• a: 10.9897 ± 0.0008 Å
• b: 21.4876 ± 0.0015 Å
• c: 11.0705 ± 0.0008 Å
• α: 90°
• β: 100.552 ± 0.001°
• γ: 90°
• Cell volume: 2570 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No