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Information card for entry 4317074
Preview
| Coordinates | 4317074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H15 Al Cl2 F15 O Ta |
|---|---|
| Calculated formula | C28 H15 Al Cl2 F15 O Ta |
| SMILES | [Ta]1234(O[Al](c5c(c(c(c(c5F)F)F)F)F)(c5c(c(c(c(c5F)F)F)F)F)c5c(c(c(c(c5F)F)F)F)F)(Cl)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
| Title of publication | Trapping Unstable Terminal M-O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids |
| Authors of publication | Javier Sánchez-Nieves; Luis M. Frutos; Pascual Royo; Obis Castaño; Eberhardt Herdtweck; Marta E. G. Mosquera |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10642 - 10648 |
| a | 10.7086 ± 0.001 Å |
| b | 11.2122 ± 0.001 Å |
| c | 14.0319 ± 0.0014 Å |
| α | 90.945 ± 0.009° |
| β | 110.889 ± 0.007° |
| γ | 104.017 ± 0.008° |
| Cell volume | 1517.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179250 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/70. |
4317074.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317074.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317074.cif |
| 10586 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4317074 via cif-deposit CGI script. |
4317074.cif |
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Users of the data should acknowledge the original authors of the
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