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Information card for entry 4065386
Preview
Coordinates | 4065386.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 15a-1509 [Pd(eta3-CH2CMeCH2)(SN-Ph)]SbF6 (15a) |
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Formula | C21 H22 F6 N2 P Pd S Sb |
Calculated formula | C21 H22 F6 N2 P Pd S Sb |
SMILES | [Pd]123([S]=P(Nc4[n]1cccc4)(c1ccccc1)c1ccccc1)[CH2]=[C]2(C3)C.[Sb](F)(F)([F-])(F)(F)F |
Title of publication | Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes |
Authors of publication | Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5928 |
a | 9.8095 ± 0.0005 Å |
b | 10.8865 ± 0.0005 Å |
c | 13.1649 ± 0.0006 Å |
α | 67.873 ± 0.002° |
β | 70.59 ± 0.002° |
γ | 88.22 ± 0.002° |
Cell volume | 1221.19 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0269 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4065386.html
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Users of the data should acknowledge the original authors of the
structural data.