Information card for entry 7116761

Structure parameters

• Formula: C34.93 H66.85 B11 Li2 N2 O5.48
• Calculated formula: C34.928 H66.856 B11 Li2 N2 O5.482
• Title of publication: Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion
• Authors of publication: Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5359
• a: 15.9089 ± 0.0011 Å
• b: 26.7369 ± 0.0019 Å
• c: 10.561 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4492.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No