Information card for entry 1515026

Structure parameters

• Common name: 2-DMAP3
• Formula: C57 H60 F6 Hg N6 O P Sb
• Calculated formula: C57 H60 F6 Hg N6 O P Sb
• SMILES: [Sb](c1c2c([Hg]3([n]4ccc(cc4)N(C)C)[n]4ccc(cc4)N(C)C)cccc2ccc1)([n]1ccc(cc1)N(C)C)(c1c2c3cccc2ccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• Title of publication: Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex
• Authors of publication: Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1128
• a: 18.171 ± 0.005 Å
• b: 28.753 ± 0.008 Å
• c: 13.422 ± 0.007 Å
• α: 90°
• β: 130.397 ± 0.002°
• γ: 90°
• Cell volume: 5341 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No