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Information card for entry 4071145
Preview
| Coordinates | 4071145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H51 N Ni O P2 |
|---|---|
| Calculated formula | C48 H51 N Ni O P2 |
| SMILES | [Ni]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)C1CCCC=CCC1.O(CC)CC |
| Title of publication | Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands |
| Authors of publication | Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3082 |
| a | 10.852 ± 0.0002 Å |
| b | 12.986 ± 0.0002 Å |
| c | 15.941 ± 0.0004 Å |
| α | 108.973 ± 0.001° |
| β | 95.631 ± 0.001° |
| γ | 105.171 ± 0.001° |
| Cell volume | 2008.66 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (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 4/07/11. |
4071145.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071145.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071145.cif |
| 43065 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071141, 4071142, 4071143, 4071144, 4071145, 4071146, 4071147, 4071148 via cif-deposit CGI script. |
4071145.cif |
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Users of the data should acknowledge the original authors of the
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