Information card for entry 4317070

Structure parameters

• Chemical name: N,N'-(1,7-dicarba-closo-dodecaboran-9,10-diyl) bis(trifluoroacetamide)
• Formula: C6 H12 B10 F6 N2 O2
• Calculated formula: C6 H12 B10 F6 N2 O2
• 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: 13.6276 ± 0.001 Å
• b: 17.5083 ± 0.0013 Å
• c: 13.7268 ± 0.001 Å
• α: 90°
• β: 91.579 ± 0.001°
• γ: 90°
• Cell volume: 3273.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No