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Information card for entry 4072156
Preview
| Coordinates | 4072156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H76 Cl2 Cu2 N2 O2 |
|---|---|
| Calculated formula | C54 H76 Cl2 Cu2 N2 O2 |
| SMILES | [Cl]1[Cu]2([N](=Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)[Cl][Cu]21Oc1c(C=[N]2c2c(cccc2C(C)C)C(C)C)cc(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Copper(II) Ethylene Polymerization Catalysts: Do They Really Exist? |
| Authors of publication | Olson, Jeremy A.; Boyd, Ramon; Quail, J. Wilson; Foley, Stephen R. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5333 |
| a | 12.7591 ± 0.0006 Å |
| b | 14.5248 ± 0.0009 Å |
| c | 17.2981 ± 0.0011 Å |
| α | 111.594 ± 0.002° |
| β | 100.07 ± 0.003° |
| γ | 104.797 ± 0.003° |
| Cell volume | 2750 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072156.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072156.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072156.cif |
| 44266 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072156, 4072157 via cif-deposit CGI script. |
4072156.cif |
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Users of the data should acknowledge the original authors of the
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