Information card for entry 7129035

Structure parameters

• Common name: PB(HIBNH2)
• Formula: C27 H50 B2 I N P
• Calculated formula: C24 H43 B2 I N P
• SMILES: I[BH]1[P](C(C)C)(C(C)C)c2c(cccc2)[B]([NH2]1)(C1CCCCC1)C1CCCCC1
• 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: 18.2679 ± 0.0005 Å
• b: 11.4128 ± 0.0004 Å
• c: 14.6131 ± 0.0004 Å
• α: 90°
• β: 107.048 ± 0.002°
• γ: 90°
• Cell volume: 2912.78 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No