Information card for entry 7003894

Structure parameters

• Formula: C34 H34 B Cl Hg
• Calculated formula: C34 H34 B Cl Hg
• SMILES: [Hg](Cl)c1cccc2cccc(B(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c12.c1ccccc1
• Title of publication: Fluoride ion complexation by a B2/Hg heteronuclear tridentate lewis acid
• Authors of publication: Dorsey, Christopher L.; Jewula, Pawel; Hudnall, Todd W.; Hoefelmeyer, James D.; Taylor, Thomas J.; Honesty, Nicole R.; Chiu, Ching-Wen; Schulte, Marcus; Gabbaï, François P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4442 - 4450
• a: 13.9211 ± 0.0017 Å
• b: 18.702 ± 0.002 Å
• c: 22.471 ± 0.003 Å
• α: 90°
• β: 97.443 ± 0.002°
• γ: 90°
• Cell volume: 5801.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No