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Information card for entry 7031732
Preview
| Coordinates | 7031732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H52 Ni2 O5 P2 |
|---|---|
| Calculated formula | C43 H52 Ni2 O5 P2 |
| SMILES | [Ni]1234[P](C[P]([Ni]567([O]1C(=O)C[C]2(=[C]3(C4)C)C)OC(=O)C[C]5(=[C]6(C7)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC |
| Title of publication | Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability. |
| Authors of publication | Freund, Robert R. A.; Görls, Helmar; Langer, Jens |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13988 - 14000 |
| a | 10.9306 ± 0.0003 Å |
| b | 11.3308 ± 0.0003 Å |
| c | 18.4592 ± 0.0005 Å |
| α | 72.221 ± 0.001° |
| β | 76.133 ± 0.001° |
| γ | 67.433 ± 0.001° |
| Cell volume | 1990.74 ± 0.09 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.1129 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2132 |
| Weighted residual factors for all reflections included in the refinement | 0.2196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031732.cif |
| 123476 | 2014-09-08 | cif/ Updating files of 7031730, 7031731, 7031732, 7031733, 7031734, 7031735, 7031736, 7031737 Original log message: Adding full bibliography for 7031730--7031737.cif. |
7031732.cif |
| 120765 | 2014-07-25 | cif/ Adding structures of 7031730, 7031731, 7031732, 7031733, 7031734, 7031735, 7031736, 7031737 via cif-deposit CGI script. |
7031732.cif |
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Users of the data should acknowledge the original authors of the
structural data.