Information card for entry 7709814

Structure parameters

• Formula: C28 H39 B2 N2 P
• Calculated formula: C28 H39 B2 N2 P
• SMILES: [PH2]1[B](c2cccc3cccc(c23)[B]1(C)C)(C)C.N(c1cccc2cccc([NH+](C)C)c12)(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: 12.1822 ± 0.0005 Å
• b: 13.9482 ± 0.0007 Å
• c: 16.4722 ± 0.0006 Å
• α: 90.861 ± 0.003°
• β: 107.767 ± 0.004°
• γ: 91.957 ± 0.004°
• Cell volume: 2663 ± 0.2 ų
• Cell temperature: 99.97 ± 0.15 K
• Ambient diffraction temperature: 99.97 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No