Information card for entry 1515025

Structure parameters

• Common name: 2-Cl2
• Formula: C52 H66 Cl2 Hg N O Sb
• Calculated formula: C52 H66 Cl2 Hg N O Sb
• SMILES: [Sb](Cl)(c1c2c([Hg]3Cl)cccc2ccc1)(c1ccccc1)(c1c2c3cccc2ccc1)c1ccccc1.C(C[N+](CCCC)(CCCC)CCCC)CC.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: 11.172 ± 0.003 Å
• b: 34.082 ± 0.009 Å
• c: 12.621 ± 0.003 Å
• α: 90°
• β: 99.244 ± 0.003°
• γ: 90°
• Cell volume: 4743 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.079
• 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