Information card for entry 4084176

Structure parameters

• Formula: C15 H20 Al B Cl4 N2 O2
• Calculated formula: C15 H20 Al B Cl4 N2 O2
• SMILES: [Al](Cl)(Cl)(Cl)[Cl-].B1(Oc2c(cccc2)O1)c1n(cc[n+]1C(C)C)C(C)C
• Title of publication: Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution
• Authors of publication: Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4165
• a: 14.132 ± 0.0007 Å
• b: 16.1975 ± 0.0011 Å
• c: 18.2062 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4167.5 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No