Information card for entry 4339482

Structure parameters

• Formula: C40 H45 B F3 Hg N O3 S
• Calculated formula: C40 H45 B F3 Hg N O3 S
• SMILES: B(c1cccc2cccc(c12)[Hg]c1c(cc(cc1C)[N+](C)(C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Synthesis and properties of a cationic bidentate Lewis acid.
• Authors of publication: Lee, Min Hyung; Gabbaï, François P
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8132 - 8138
• a: 25.412 ± 0.005 Å
• b: 13.069 ± 0.003 Å
• c: 11.038 ± 0.002 Å
• α: 90°
• β: 96.08 ± 0.03°
• γ: 90°
• Cell volume: 3645.2 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No