Information card for entry 7721074

Structure parameters

• Common name: [N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane
• Chemical name: [N-benzhydryl-N'-methyl-imidazol-2-ylidene](dihydrydo)(pentafluorophenyl)borane
• Formula: C23 H18 B F5 N2
• Calculated formula: C23 H18 B F5 N2
• Title of publication: Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion
• Authors of publication: Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 7.2934 ± 0.0001 Å
• b: 12.2741 ± 0.0002 Å
• c: 13.0135 ± 0.0002 Å
• α: 117.663 ± 0.001°
• β: 93.356 ± 0.001°
• γ: 90.741 ± 0.001°
• Cell volume: 1028.97 ± 0.03 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No