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Information card for entry 4066993
Preview
| Coordinates | 4066993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H78 Br2 N4 O18 Pd |
|---|---|
| Calculated formula | C71 H78 Br2 N4 O18 Pd |
| SMILES | [Pd](Br)(Br)(=C1N(C=CN1C[C@H]1O[C@H](OC)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)CCCC)=C1N(C=CN1C[C@H]1O[C@H](OC)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)CCCC.OC.O |
| Title of publication | Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts |
| Authors of publication | Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5959 |
| a | 41.6048 ± 0.0009 Å |
| b | 10.2616 ± 0.0002 Å |
| c | 19.147 ± 0.0005 Å |
| α | 90° |
| β | 114.074 ± 0.0013° |
| γ | 90° |
| Cell volume | 7463.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1141 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.1822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178089 (current) | 2016-03-10 | cif/4 Fixing Z values and formulae |
4066993.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4066993.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066993.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066993.cif |
| 34046 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066988, 4066989, 4066990, 4066991, 4066992, 4066993 via cif-deposit CGI script. |
4066993.cif |
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