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Information card for entry 4077290
Preview
| Coordinates | 4077290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H88 N8 O4 Pd4 |
|---|---|
| Calculated formula | C98 H88 N8 O4 Pd4 |
| SMILES | [N](#C[Pd]12C(=Nc3c(cccc3C)C)c3c([O]1[Pd]1(C(=Nc4c(cccc4C)C)c4c([O]1[Pd]1(C(=Nc5c(cccc5C)C)c5c([O]1[Pd]1(C(=Nc6c(cccc6C)C)c6c([O]21)cccc6)C#[N]c1c(cccc1C)C)cccc5)C#[N]c1c(cccc1C)C)cccc4)C#[N]c1c(cccc1C)C)cccc3)c1c(cccc1C)C |
| Title of publication | Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles |
| Authors of publication | Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K. |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 13 |
| Pages of publication | 2704 |
| a | 19.5269 ± 0.0014 Å |
| b | 19.5269 ± 0.0014 Å |
| c | 12.2839 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4683.8 ± 0.7 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178661 (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 4/07/72. |
4077290.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077290.cif |
| 54277 | 2012-04-24 | cif/ Adding structures of 4077285, 4077286, 4077287, 4077288, 4077289, 4077290 via cif-deposit CGI script. |
4077290.cif |
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Users of the data should acknowledge the original authors of the
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