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Information card for entry 4083034
Preview
| Coordinates | 4083034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H31 Br Ni O2 P2 |
|---|---|
| Calculated formula | C24 H31 Br Ni O2 P2 |
| SMILES | Br[Ni](c1c(cccc1OC)OC)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C |
| Title of publication | A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes. |
| Authors of publication | Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 8 |
| Pages of publication | 2012 - 2018 |
| a | 10.0063 ± 0.0011 Å |
| b | 10.9419 ± 0.0012 Å |
| c | 12.6991 ± 0.0013 Å |
| α | 112.352 ± 0.002° |
| β | 91.166 ± 0.002° |
| γ | 105.448 ± 0.002° |
| Cell volume | 1227.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0198 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178719 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/30. |
4083034.cif |
| 115882 | 2014-06-05 | cif/ Updating files of 4083033, 4083034, 4083035, 4083036, 4083037, 4083038 Original log message: Adding full bibliography for 4083033--4083038.cif. |
4083034.cif |
| 112794 | 2014-05-04 | cif/ Updating files of 4083033, 4083034, 4083035, 4083036, 4083037, 4083038 Original log message: Adding full bibliography for 4083033--4083038.cif. |
4083034.cif |
| 109606 | 2014-04-17 | cif/ Adding structures of 4083033, 4083034, 4083035, 4083036, 4083037, 4083038 via cif-deposit CGI script. |
4083034.cif |
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Users of the data should acknowledge the original authors of the
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