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Information card for entry 4075282
Preview
| Coordinates | 4075282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H36 Ni2 O3 P2 |
|---|---|
| Calculated formula | C32 H36 Ni2 O3 P2 |
| SMILES | [Ni]123([Ni]4([P](C)(C)c5ccccc5)([O]1[C](C)(c1c3cccc1)CC(=O)c1ccccc41)[OH]2)[P](C)(C)c1ccccc1 |
| Title of publication | Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands† |
| Authors of publication | Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 13 |
| Pages of publication | 3124 |
| a | 11.656 ± 0.0006 Å |
| b | 12.2387 ± 0.0006 Å |
| c | 12.8339 ± 0.0007 Å |
| α | 66.272 ± 0.001° |
| β | 63.711 ± 0.001° |
| γ | 69.297 ± 0.001° |
| Cell volume | 1468.02 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178641 (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 4/07/52. |
4075282.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075282.cif |
| 49156 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075281, 4075282, 4075283 via cif-deposit CGI script. |
4075282.cif |
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Users of the data should acknowledge the original authors of the
structural data.