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Information card for entry 4064490
Preview
| Coordinates | 4064490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H106 Cl4 O6 Ta2 |
|---|---|
| Calculated formula | C88 H106 Cl4 O6 Ta2 |
| Title of publication | Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring |
| Authors of publication | Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3512 |
| a | 16.359 ± 0.001 Å |
| b | 17.981 ± 0.001 Å |
| c | 19.781 ± 0.001 Å |
| α | 116.445 ± 0.006° |
| β | 98.994 ± 0.005° |
| γ | 97.308 ± 0.005° |
| Cell volume | 5016.6 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections | 0.2087 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0755 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178538 (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 4/06/44. |
4064490.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064490.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064490.cif |
| 32925 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064490 via cif-deposit CGI script. |
4064490.cif |
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Users of the data should acknowledge the original authors of the
structural data.