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Information card for entry 4071396
Preview
| Coordinates | 4071396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H76 Cl4 Cr2 N6 Si2 |
|---|---|
| Calculated formula | C44 H76 Cl4 Cr2 N6 Si2 |
| SMILES | C1(=N[Si](C)(C)[c]23[Cr]4567([c]2([c]4([c]5([c]36C)C)C)C)(Cl)[Cl][Cr]2345([c]6([Si](N=C8N(C=CN8C(C)(C)C)C(C)(C)C)(C)C)[c]2([c]3([c]4([c]56C)C)C)C)(Cl)[Cl]7)N(C=CN1C(C)(C)C)C(C)(C)C |
| Title of publication | Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis |
| Authors of publication | Randoll, Sören; Jones, Peter G.; Tamm, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3232 |
| a | 12.3769 ± 0.0015 Å |
| b | 12.9565 ± 0.0014 Å |
| c | 16.8703 ± 0.0018 Å |
| α | 90° |
| β | 109.259 ± 0.004° |
| γ | 90° |
| Cell volume | 2553.9 ± 0.5 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1307 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (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 4/07/13. |
4071396.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071396.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071396.cif |
| 43181 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071393, 4071394, 4071395, 4071396, 4071397 via cif-deposit CGI script. |
4071396.cif |
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