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Information card for entry 7704557
Preview
Coordinates | 7704557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H50 Cl4 Fe O5 P2 Pd S2 |
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Calculated formula | C50 H50 Cl4 Fe O5 P2 Pd S2 |
SMILES | [Pd]12(Sc3cc4OCCOCCOCCOCCOc4cc3S1)[P](c1ccccc1)(c1ccccc1)[c]13[cH]4[Fe]56789%101([c]1([cH]8[cH]7[cH]6[cH]51)[P]2(c1ccccc1)c1ccccc1)[cH]3[cH]9[cH]4%10.C(Cl)Cl.C(Cl)Cl |
Title of publication | Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes. |
Authors of publication | Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 26 |
Pages of publication | 9086 - 9093 |
a | 18.363 ± 0.004 Å |
b | 19.821 ± 0.004 Å |
c | 15.185 ± 0.003 Å |
α | 90° |
β | 101.9 ± 0.03° |
γ | 90° |
Cell volume | 5408 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7704557.html
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Users of the data should acknowledge the original authors of the
structural data.