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Information card for entry 4064787
Preview
| Coordinates | 4064787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 Cl2 Fe N3 |
|---|---|
| Calculated formula | C18 H15 Cl2 Fe N3 |
| SMILES | [Fe]1([n]2c(n(c3c2cccc3)C)c2cccc3ccc([n]1c23)C)(Cl)Cl |
| Title of publication | Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior |
| Authors of publication | Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3658 |
| a | 7.2193 ± 0.0014 Å |
| b | 17.2 ± 0.003 Å |
| c | 13.681 ± 0.003 Å |
| α | 90° |
| β | 101.78 ± 0.03° |
| γ | 90° |
| Cell volume | 1663 ± 0.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1579 |
| Residual factor for significantly intense reflections | 0.1143 |
| Weighted residual factors for significantly intense reflections | 0.1937 |
| Weighted residual factors for all reflections included in the refinement | 0.2096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178541 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/47. |
4064787.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064787.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064787.cif |
| 33045 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064786, 4064787, 4064788 via cif-deposit CGI script. |
4064787.cif |
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Users of the data should acknowledge the original authors of the
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