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Information card for entry 7027976
Preview
Coordinates | 7027976.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H24 Au O2 P S4 |
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Calculated formula | C25 H24 Au O2 P S4 |
SMILES | [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC1=C(SCCS1)SC(=O)OCC |
Title of publication | Formation of thiolene versus dithiolene species from TTBEO. Crystal structures of [Au(ddtCO2Et)(PPh3)] and [Sn(ddtCO2Et)2Me2] {TTBEO = 2,5,7,9-tetrathiabicyclo[4.3.0]non-1(6)-en-8-one; ddtCO2Et = 3-(ethoxycarbonylsulfanyl)-5,6-dihydro-1,4-dithiine-2-thiolate} |
Authors of publication | Cerrada, Elena; García, J. Felipe; Laguna, Mariano; Terroba, Raquel; Villacampa, M. Dolores |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 20 |
Pages of publication | 3511 |
a | 9.202 ± 0.005 Å |
b | 11.495 ± 0.006 Å |
c | 13.921 ± 0.007 Å |
α | 70.85 ± 0.04° |
β | 87.05 ± 0.04° |
γ | 74.24 ± 0.02° |
Cell volume | 1337.6 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.102 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections | 0.0919 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Goodness-of-fit parameter for all reflections | 1.013 |
Goodness-of-fit parameter for significantly intense reflections | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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