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Information card for entry 4065382
Preview
| Coordinates | 4065382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 8b-1542 [Pd(eta3-CHPhCHCH2)(PN-iPr)]SbF6 (8b) |
|---|---|
| Formula | C20 H28 F6 N2 P Pd Sb |
| Calculated formula | C20 H28 F6 N2 P Pd Sb |
| SMILES | [Pd]123([P](Nc4[n]1cccc4)(C(C)C)C(C)C)[CH](=[CH]2C3)c1ccccc1.[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 | 9.1626 ± 0.0001 Å |
| b | 18.7195 ± 0.0002 Å |
| c | 14.8752 ± 0.0002 Å |
| α | 90° |
| β | 96.256 ± 0.001° |
| γ | 90° |
| Cell volume | 2536.19 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178546 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53. |
4065382.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065382.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065382.cif |
| 33269 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065379, 4065380, 4065381, 4065382, 4065383, 4065384, 4065385, 4065386, 4065387, 4065388, 4065389, 4065390 via cif-deposit CGI script. |
4065382.cif |
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Users of the data should acknowledge the original authors of the
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