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Information card for entry 4076299
Preview
| Coordinates | 4076299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H38 Cl2 Si2 Zr |
|---|---|
| Calculated formula | C28 H38 Cl2 Si2 Zr |
| SMILES | [Zr]12345678(Cl)(Cl)([cH]9[c]%101cccc[c]2%10[c]3([cH]49)C(C)(C)C)[c]1([Si](C)(C)C)[c]25cccc[c]62[c]7([Si](C)(C)C)[cH]81 |
| Title of publication | Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters |
| Authors of publication | Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2004 |
| Journal volume | 23 |
| Journal issue | 22 |
| Pages of publication | 5332 |
| a | 9.4665 ± 0.0011 Å |
| b | 16.131 ± 0.002 Å |
| c | 19.225 ± 0.003 Å |
| α | 90° |
| β | 95.829 ± 0.004° |
| γ | 90° |
| Cell volume | 2920.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178651 (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 4/07/62. |
4076299.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076299.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4076299.cif |
| 51750 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076299 via cif-deposit CGI script. |
4076299.cif |
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Users of the data should acknowledge the original authors of the
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