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Information card for entry 4082381
Preview
Coordinates | 4082381.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H96 Au B2 Cl13 P2 |
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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 Å3 |
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 |
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