Information card for entry 7130538

Structure parameters

• Formula: C36.83 H82.67 B18 Li3 N2 O7.96
• Calculated formula: C36.832 H82.664 B18 Li3 N2 O7.958
• Title of publication: Fusing 10-vertex closo-Carborane Anions with N-Heterocyclic Carbenes
• Authors of publication: Tej, Varun; McArthur, Sarah; Banda, Isaac; Gregory, Aaron; Fisher, Steven P.; McArthur, Scott; Lavallo, Vince
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.5622 ± 0.001 Å
• b: 18.2827 ± 0.0019 Å
• c: 18.5319 ± 0.0019 Å
• α: 114.057 ± 0.0016°
• β: 100.875 ± 0.0017°
• γ: 102.675 ± 0.0017°
• Cell volume: 2742 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No