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Information card for entry 4067534
Preview
| Coordinates | 4067534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H34 Cl0 F4 N8 O3 Ti2 |
|---|---|
| Calculated formula | C56 H34 F4 N8 O3 Ti2 |
| SMILES | [Ti]123456(OC(=N\c7c(F)cccc7F)/c7cccc8ccc([n]2c78)c2n1c1ccccc1n2)(O[Ti]12789%10(O/C(=N\c%11c(F)cccc%11F)c%11cccc%12ccc([n]2c%11%12)c2n1c1ccccc1n2)[cH]1[cH]%10[cH]9[cH]8[cH]71)[cH]1[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Syntheses, Characterization, and the Ethylene (Co-)Polymerization Screening of 2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Half-Titanocene Chlorides |
| Authors of publication | Sun, Wen-Hua; Liu, Shaofeng; Zhang, Wenjuan; Zeng, Yanning; Wang, Deligeer; Liang, Tongling |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 732 |
| a | 16.743 ± 0.003 Å |
| b | 20.407 ± 0.004 Å |
| c | 16.767 ± 0.003 Å |
| α | 90° |
| β | 110.59 ± 0.03° |
| γ | 90° |
| Cell volume | 5363 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0825 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1893 |
| Weighted residual factors for all reflections included in the refinement | 0.1996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178566 (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 4/06/75. |
4067534.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067534.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067534.cif |
| 34222 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067531, 4067532, 4067533, 4067534 via cif-deposit CGI script. |
4067534.cif |
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