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Information card for entry 7040460
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Coordinates | 7040460.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | complex 2 |
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Formula | C40 H34 F6 N8 O6 Pd2 S6 |
Calculated formula | C40 H34 F6 N8 O6 Pd2 S6 |
SMILES | [Pd]123[n]4c(cccc4[C@H]4[Pd]5([n]6c(S4)cccc6)[n]4c(cccc4[C@@H]3Sc3[n]2cccc3)CSc2[n]5cccc2)CSc2[n]1cccc2.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC.[Pd]123[n]4c(cccc4[C@@H]4[Pd]5([n]6c(S4)cccc6)[n]4c(cccc4[C@H]3Sc3[n]2cccc3)CSc2[n]5cccc2)CSc2[n]1cccc2.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC |
Title of publication | Oxygenation of a benzyl ligand in SNS-palladium complexes with O2: acceleration by anions or Brønsted acids. |
Authors of publication | Shimokawa, Reina; Kawada, Yumi; Hayashi, Miki; Kataoka, Yasutaka; Ura, Yasuyuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16112 - 16116 |
a | 11.8556 ± 0.0015 Å |
b | 12.2946 ± 0.0014 Å |
c | 16.8688 ± 0.0019 Å |
α | 74.287 ± 0.004° |
β | 85.564 ± 0.005° |
γ | 81.418 ± 0.004° |
Cell volume | 2338.6 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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