Information card for entry 7129029

Structure parameters

• Common name: PB(N3SiMe3)
• Formula: C27 H49 B N3 P Si
• Calculated formula: C27 H49 B N3 P Si
• SMILES: P1(=[N](/N=N/[Si](C)(C)C)[B](C2CCCCC2)(C2CCCCC2)c2c1cccc2)(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: 9.4802 ± 0.0007 Å
• b: 10.2175 ± 0.0008 Å
• c: 15.3118 ± 0.0011 Å
• α: 90°
• β: 99.894 ± 0.001°
• γ: 90°
• Cell volume: 1461.1 ± 0.19 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No