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Information card for entry 4071866
Preview
| Coordinates | 4071866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H31 I N2 O2 Pd |
|---|---|
| Calculated formula | C22 H31 I N2 O2 Pd |
| SMILES | I[Pd]12c3c(C4OC[C@@H]([N]1=4)C(C)C)cc(cc3C1=[N]2[C@H](CO1)C(C)C)C(C)(C)C |
| Title of publication | Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity |
| Authors of publication | Bugarin, Alejandro; Connell, Brian T. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4357 |
| a | 6.0186 ± 0.0012 Å |
| b | 32.173 ± 0.006 Å |
| c | 12.237 ± 0.003 Å |
| α | 90° |
| β | 94.131 ± 0.009° |
| γ | 90° |
| Cell volume | 2363.4 ± 0.9 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1307 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1515 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18. |
4071866.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071866.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071866.cif |
| 44088 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071866, 4071867, 4071868, 4071869, 4071870, 4071871, 4071872 via cif-deposit CGI script. |
4071866.cif |
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Users of the data should acknowledge the original authors of the
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