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Information card for entry 4072191
Preview
| Coordinates | 4072191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 Cl2 O2 P2 Zr |
|---|---|
| Calculated formula | C34 H38 Cl2 O2 P2 Zr |
| SMILES | [Zr]123(Cl)(Cl)[P](c4c(O2)c(ccc4)C(C)(C)C)(CC[P]1(c1c(O3)c(ccc1)C(C)(C)C)c1ccccc1)c1ccccc1 |
| Title of publication | Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies |
| Authors of publication | Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5960 |
| a | 8.3957 ± 0.0002 Å |
| b | 17.8816 ± 0.0003 Å |
| c | 23.1612 ± 0.0004 Å |
| α | 90° |
| β | 99 ± 0.002° |
| γ | 90° |
| Cell volume | 3434.35 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.2585 |
| Weighted residual factors for all reflections included in the refinement | 0.2832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 1.54248 Å |
| Diffraction radiation type | CuKα |
| 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. |
4072191.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072191.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072191.cif |
| 44283 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072190, 4072191, 4072192 via cif-deposit CGI script. |
4072191.cif |
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Users of the data should acknowledge the original authors of the
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