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Information card for entry 4076424
Preview
| Coordinates | 4076424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C14 H9 B F N O3 |
|---|---|
| Calculated formula | C14 H9 B F N O3 |
| SMILES | [N]12c3c(C(=O)O[B]2(Oc2c(C=1)cccc2)F)cccc3 |
| Title of publication | Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity |
| Authors of publication | Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 5 |
| Pages of publication | 1849 |
| a | 15.959 ± 0.008 Å |
| b | 13.032 ± 0.006 Å |
| c | 13.592 ± 0.01 Å |
| α | 90° |
| β | 122.39 ± 0.011° |
| γ | 90° |
| Cell volume | 2387 ± 2 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2482 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4076424.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4076424.cif |
| 178653 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64. |
4076424.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076424.cif |
| 51955 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076421, 4076422, 4076423, 4076424 via cif-deposit CGI script. |
4076424.cif |
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Users of the data should acknowledge the original authors of the
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