Information card for entry 7709823

Structure parameters

• Formula: C28 H38 B2 N2
• Calculated formula: C28 H38 B2 N2
• SMILES: N(c2cccc3cccc([NH+](C)C)c23)(C)C.c12cccc3cccc(c13)[B](C)(C)[H][B]2(C)C
• 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: 12.06495 ± 0.00018 Å
• b: 14.3416 ± 0.0002 Å
• c: 15.7603 ± 0.0002 Å
• α: 90.0174 ± 0.0012°
• β: 90.4587 ± 0.0013°
• γ: 110.275 ± 0.0014°
• Cell volume: 2557.95 ± 0.07 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No