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Information card for entry 4064492
Preview
| Coordinates | 4064492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in manuscript 4 |
|---|---|
| Formula | C10 H18 Cl2 N2 Pd |
| Calculated formula | C10 H18 Cl2 N2 Pd |
| SMILES | [Pd](Cl)(Cl)(C#[N]C(C)(C)C)C#[N]C(C)(C)C |
| Title of publication | From Isonitriles to Carbenes: Synthesis of New NAC− and NHC−Palladium(II) Compounds and Their Catalytic Activity |
| Authors of publication | Hashmi, A. Stephen K.; Lothschütz, Christian; Böhling, Constantin; Rominger, Frank |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 2411 |
| a | 12.1785 ± 0.0002 Å |
| b | 12.2432 ± 0.0002 Å |
| c | 21.0538 ± 0.0003 Å |
| α | 99.493 ± 0.001° |
| β | 99.806 ± 0.001° |
| γ | 90.533 ± 0.001° |
| Cell volume | 3048.72 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178538 (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 4/06/44. |
4064492.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064492.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064492.cif |
| 32927 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064492, 4064493, 4064494, 4064495, 4064496 via cif-deposit CGI script. |
4064492.cif |
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Users of the data should acknowledge the original authors of the
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