Information card for entry 4317069

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: 14.2674 ± 0.0019 Å
• b: 10.6374 ± 0.0014 Å
• c: 20.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3112.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No