Information card for entry 7036438

Structure parameters

• Formula: C37 H46 Al3 B5 Cl22 N8
• Calculated formula: C37 H46 Al3 B5 Cl22 N8
• Title of publication: The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.
• Authors of publication: Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6060 - 6070
• a: 22.085 ± 0.004 Å
• b: 13.0664 ± 0.0019 Å
• c: 23.157 ± 0.006 Å
• α: 90°
• β: 96.49 ± 0.018°
• γ: 90°
• Cell volume: 6640 ± 2 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No