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Information card for entry 2232026
Preview
| Coordinates | 2232026.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)- μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4- (trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV) |
|---|---|
| Formula | C44 H59 Cl3 O2 Si2 Ti2 |
| Calculated formula | C44 H59 Cl3 O2 Si2 Ti2 |
| SMILES | [Ti]1234(Cl)(Oc5c(cccc5C)C)(O[Ti]5678(Cl)(Cl)[c]9([c]5([c]6([c]7([c]89C)C)C)C)c5ccc([Si](C)(C)C)cc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)c1ccc([Si](C)(C)C)cc1 |
| Title of publication | Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)-μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4-(trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV) |
| Authors of publication | Luo, Xuyang; Wu, Qiaolin; Mu, Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1355 |
| a | 11.405 ± 0.002 Å |
| b | 12.949 ± 0.003 Å |
| c | 18.132 ± 0.004 Å |
| α | 104.19 ± 0.03° |
| β | 101.13 ± 0.03° |
| γ | 108.96 ± 0.03° |
| Cell volume | 2344.1 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176798 (current) | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232026.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232026.cif |
| 29315 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232026 via cif-deposit CGI script. |
2232026.cif |
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