Information card for entry 7716157

Structure parameters

• Formula: C26 H46 B F N2 Si2
• Calculated formula: C26 H46 B F N2 Si2
• SMILES: [Si]1(N(C23CC4CC(C3)CC(C2)C4)B(F)N([Si](CC1)(C)C)C12CC3CC(C1)CC(C2)C3)(C)C
• Title of publication: A chelated borinium cation.
• Authors of publication: Major, Christopher; Lough, Alan; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10075 - 10078
• a: 28.241 ± 0.002 Å
• b: 11.0525 ± 0.0008 Å
• c: 16.7187 ± 0.0012 Å
• α: 90°
• β: 90.342 ± 0.004°
• γ: 90°
• Cell volume: 5218.4 ± 0.6 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 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: 0.0685
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No