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Information card for entry 7222465
Preview
| Coordinates | 7222465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H44 Si |
|---|---|
| Calculated formula | C32 H44 Si |
| SMILES | [C@@H]1(C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)[Si]([C@H]1C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)(C)C.[C@H]1(C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)[Si]([C@@H]1C(=C(c2c(c(c(c(c12)C)C)C)C)C)C)(C)C |
| Title of publication | Synthesis and characterisation of permethylindenyl zirconium complexes and their use in ethylene polymerisation |
| Authors of publication | Buffet, Jean-Charles; Arnold, Thomas; Turner, Zoe; Angpanitcharoen, Phakpoom; OHare, Dermot |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.2291 ± 0.0007 Å |
| b | 9.7804 ± 0.0007 Å |
| c | 15.8873 ± 0.0012 Å |
| α | 89.6 ± 0.006° |
| β | 81.392 ± 0.006° |
| γ | 73.234 ± 0.006° |
| Cell volume | 1356.64 ± 0.18 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1118 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections | 0.2791 |
| Weighted residual factors for significantly intense reflections | 0.2717 |
| Weighted residual factors for all reflections included in the refinement | 0.279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9647 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7222465.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222465.cif |
| 161208 | 2015-10-09 | cif/ Adding structures of 7222465, 7222466, 7222467 via cif-deposit CGI script. |
7222465.cif |
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Users of the data should acknowledge the original authors of the
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