Information card for entry 7003892

Structure parameters

• Formula: C62 H74 B2 F Hg N3 S
• Calculated formula: C62 H74 B2 F Hg N3 S
• SMILES: B(c1cccc2cccc([Hg]3[F][B](c4cccc5cccc3c45)(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c12)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.N([S+](N(C)C)N(C)C)(C)C
• 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: 11.9011 ± 0.0009 Å
• b: 19.2576 ± 0.0014 Å
• c: 23.5739 ± 0.0017 Å
• α: 90°
• β: 95.015 ± 0.002°
• γ: 90°
• Cell volume: 5382.1 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No