Information card for entry 7709818

Structure parameters

• Formula: C60 H77 B4 N7
• Calculated formula: C60 H77 B4 N7
• Title of publication: Frustrated Lewis pair chemistry of hydride sponges
• Authors of publication: Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.811 ± 0.0005 Å
• b: 16.5987 ± 0.0007 Å
• c: 17.3054 ± 0.0007 Å
• α: 81.602 ± 0.004°
• β: 85.872 ± 0.004°
• γ: 85.229 ± 0.004°
• Cell volume: 2773.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No