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Information card for entry 4066255
Preview
| Coordinates | 4066255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H36 Ni O4 P2 |
|---|---|
| Calculated formula | C26 H36 Ni O4 P2 |
| SMILES | C[P](c1ccccc1)([Ni]12(OC(=CC(C)=[O]1)C)(OC(=CC(C)=[O]2)C)[P](C)(C)c1ccccc1)C |
| Title of publication | Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems† |
| Authors of publication | Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5098 |
| a | 8.4311 ± 0.0013 Å |
| b | 8.955 ± 0.0014 Å |
| c | 10.1684 ± 0.0016 Å |
| α | 65.472 ± 0.002° |
| β | 79.661 ± 0.003° |
| γ | 75.752 ± 0.003° |
| Cell volume | 674.35 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4066255.cif |
| 178554 | 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 4/06/62. |
4066255.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066255.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066255.cif |
| 33841 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066255, 4066256, 4066257, 4066258, 4066259 via cif-deposit CGI script. |
4066255.cif |
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