Information card for entry 7129028

Structure parameters

• Common name: PB(NBH2)
• Formula: C24 H42 B2 N P
• Calculated formula: C24 H42 B2 N P
• SMILES: P1(=[N]([B](c2c1cccc2)(C1CCCCC1)C1CCCCC1)B)(C(C)C)C(C)C
• Title of publication: Access to adducts of parent iminoborane isomers, HBNH and NBH₂, using frustrated Lewis pair chelation.
• Authors of publication: Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 83
• Pages of publication: 10895 - 10898
• a: 11.6992 ± 0.0012 Å
• b: 9.8865 ± 0.001 Å
• c: 21.0275 ± 0.0019 Å
• α: 90°
• β: 90.527 ± 0.002°
• γ: 90°
• Cell volume: 2432 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No