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Information card for entry 4075284
Preview
| Coordinates | 4075284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 Cl2 N Ti |
|---|---|
| Calculated formula | C20 H25 Cl2 N Ti |
| SMILES | [Ti]12345(N(c6c([c]71[c]2([c]3([cH]4[c]57C)C)C)cccc6)C1CCCCC1)(Cl)Cl |
| Title of publication | o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations |
| Authors of publication | Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 9 |
| Pages of publication | 2133 - 2134 |
| a | 8.773 ± 0.0018 Å |
| b | 13.301 ± 0.003 Å |
| c | 17.47 ± 0.004 Å |
| α | 82.526 ± 0.004° |
| β | 82.582 ± 0.004° |
| γ | 87.424 ± 0.004° |
| Cell volume | 2003.5 ± 0.8 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209857 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4075284-4075285, 4082247. Marking entry 4082247 as a duplicate of entry 4075284. |
4075284.cif |
| 178641 | 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 4/07/52. |
4075284.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075284.cif |
| 91856 | 2013-12-15 | smi/4 Adding SMILES for a large bunch of metalocene compounds. |
4075284.cif |
| 49157 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075284 via cif-deposit CGI script. |
4075284.cif |
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Users of the data should acknowledge the original authors of the
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