Information card for entry 7003893

Structure parameters

• Formula: C56.5 H56.5 B2 Cl1.5 Hg
• Calculated formula: C56.5 H56.5 B2 Cl1.5 Hg
• 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: 12.1981 ± 0.0019 Å
• b: 27.747 ± 0.004 Å
• c: 14.241 ± 0.003 Å
• α: 90°
• β: 98.204 ± 0.007°
• γ: 90°
• Cell volume: 4770.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No