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Information card for entry 4071026
Preview
| Coordinates | 4071026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H84 Br4 Cl6 N2 Ni2 O8 P4 |
|---|---|
| Calculated formula | C69 H84 Br4 Cl6 N2 Ni2 O8 P4 |
| SMILES | Br[Ni]1(Br)[P](c2cc(ccc2OC)C)(c2cc(ccc2OC)C)N(C)[P]1(c1cc(ccc1OC)C)c1cc(ccc1OC)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand |
| Authors of publication | Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 9 |
| Pages of publication | 2107 |
| a | 20.072 ± 0.005 Å |
| b | 18.123 ± 0.004 Å |
| c | 21.659 ± 0.005 Å |
| α | 90° |
| β | 90.563 ± 0.004° |
| γ | 90° |
| Cell volume | 7878 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (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 4/07/10. |
4071026.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071026.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071026.cif |
| 42999 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071026 via cif-deposit CGI script. |
4071026.cif |
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Users of the data should acknowledge the original authors of the
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