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Information card for entry 7016301
Preview
Coordinates | 7016301.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H29 Cl3 P2 Pd S2 |
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Calculated formula | C35 H29 Cl3 P2 Pd S2 |
SMILES | [Pd]12(C3=C(P(=[S]1)(c1ccccc1)c1ccccc1)c1c(C3(P(=[S]2)(c2ccccc2)c2ccccc2)C)cccc1)Cl.C(Cl)Cl |
Title of publication | Original palladium pincer complexes deriving from 1,3-bis(thiophosphinoyl)indene proligands: C(sp(3))-H versus C(sp(2))-H bond activation. |
Authors of publication | Nebra, Noel; Lisena, Jérôme; Saffon, Nathalie; Maron, Laurent; Martin-Vaca, Blanca; Bourissou, Didier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8912 - 8921 |
a | 9.4787 ± 0.0003 Å |
b | 33.9812 ± 0.0009 Å |
c | 10.6863 ± 0.0003 Å |
α | 90° |
β | 101.622 ± 0.002° |
γ | 90° |
Cell volume | 3371.46 ± 0.17 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1236 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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