Information card for entry 4082381

Structure parameters

• Formula: C108 H96 Au B2 Cl13 P2
• Calculated formula: C108 H96 Au B2 Cl13 P2
• SMILES: B(c1ccc(cc1)c1cccc2cccc(c12)c1ccc([P]([Au](Cl)[P](c2ccc(c3cccc4cccc(c5ccc(B(c6c(cc(cc6C)C)C)c6c(cc(cc6C)C)C)cc5)c34)cc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Dual-Emissive Phosphine–Borane Lewis Pair with a U-Shaped Linker: Impact of Methylation and Complexation on Fluoride Binding Affinity
• Authors of publication: Li, Yufei; Kang, Youngjin; Lu, Jia-Sheng; Wyman, Ian; Ko, Soo-Byung; Wang, Suning
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 964
• a: 21.703 ± 0.003 Å
• b: 14.949 ± 0.002 Å
• c: 32.914 ± 0.005 Å
• α: 90°
• β: 107.259 ± 0.002°
• γ: 90°
• Cell volume: 10198 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No