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Information card for entry 4072476
Preview
| Coordinates | 4072476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 Cl3 O4 Ta |
|---|---|
| Calculated formula | C14 H18 Cl3 O4 Ta |
| SMILES | [Ta]12(Cl)(Cl)(Cl)([O](C)CC[O]1C)C(=C2c1ccccc1)C(=O)OC |
| Title of publication | Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2)) |
| Authors of publication | Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 173 |
| a | 8.838 ± 0.002 Å |
| b | 19.349 ± 0.002 Å |
| c | 10.576 ± 0.002 Å |
| α | 90° |
| β | 90.54 ± 0.02° |
| γ | 90° |
| Cell volume | 1808.5 ± 0.6 Å3 |
| Cell temperature | 293.2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.923 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4072476.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072476.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072476.cif |
| 45839 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072472, 4072473, 4072474, 4072475, 4072476 via cif-deposit CGI script. |
4072476.cif |
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Users of the data should acknowledge the original authors of the
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