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Information card for entry 4122757
Preview
Coordinates | 4122757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 |
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Calculated formula | C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 |
SMILES | [C]12345[C]678([BH]9%101[BH]1%112[BH]2%123[BH]3%131[BH]1%142[BH]2%153[BH]69([BH]712[BH]48%12%14)[BH]%10%11%13%15)[P](c1ccccc1)(c1ccccc1)[Au](c1ccccc1)([P]5(c1ccccc1)c1ccccc1)I.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(Cl)Cl.C(Cl)Cl |
Title of publication | Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity. |
Authors of publication | Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 42 |
Pages of publication | 14654 - 14657 |
a | 13.6765 ± 0.0017 Å |
b | 14.0933 ± 0.0019 Å |
c | 14.6861 ± 0.0018 Å |
α | 101.957 ± 0.006° |
β | 113.378 ± 0.005° |
γ | 92.43 ± 0.006° |
Cell volume | 2517.4 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 11 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1196 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1554 |
Weighted residual factors for all reflections included in the refinement | 0.2278 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122757.html
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