Information card for entry 4081778

Structure parameters

• Formula: C11 H20 B Cl3 N2
• Calculated formula: C11 H20 B Cl3 N2
• SMILES: [B](=C1N(C(C)C)C(C)=C(C)N1C(C)C)(Cl)(Cl)Cl
• Title of publication: Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations
• Authors of publication: Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6718
• a: 9.2977 ± 0.0005 Å
• b: 11.5507 ± 0.0007 Å
• c: 14.2018 ± 0.0009 Å
• α: 74.89 ± 0.003°
• β: 87.993 ± 0.003°
• γ: 85.959 ± 0.003°
• Cell volume: 1468.59 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No