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Information card for entry 4072049
Preview
| Coordinates | 4072049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H37 Br2 Ni P2 |
|---|---|
| Calculated formula | C17 H37 Br2 Ni P2 |
| SMILES | [Ni]12([P](CCC2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(Br)Br |
| Title of publication | Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents |
| Authors of publication | Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5723 |
| a | 14.0098 ± 0.0016 Å |
| b | 16.2434 ± 0.0018 Å |
| c | 38.914 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8855.5 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072049.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072049.cif |
| 89308 | 2013-10-20 | smi/4 Adding SMILES of phosphane complexes |
4072049.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072049.cif |
| 44196 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072043, 4072044, 4072045, 4072046, 4072047, 4072048, 4072049 via cif-deposit CGI script. |
4072049.cif |
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Users of the data should acknowledge the original authors of the
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