Information card for entry 4081785

Structure parameters

• Formula: C35 H32 B2 Cl10 N2
• Calculated formula: C35 H32 B2 Cl10 N2
• SMILES: B(c1n(cc[n+]1C(C)(C)C)C(C)(C)C)(Cl)Cl.[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)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: 13.4034 ± 0.0006 Å
• b: 13.6003 ± 0.0006 Å
• c: 21.6148 ± 0.001 Å
• α: 90°
• β: 93.887 ± 0.002°
• γ: 90°
• Cell volume: 3931.1 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No