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Information card for entry 4337294
Preview
| Coordinates | 4337294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H14 N2 O6 Ti |
|---|---|
| Calculated formula | C12 H14 N2 O6 Ti |
| SMILES | [Ti]12([O]=n3c(O1)cccc3)(Oc1n(=[O]2)cccc1)(OC)OC |
| Title of publication | Correction to Titanium(IV) Complexes with N,N'-Dialkyl-2,3-dihydroxyterephthalamides and 1-Hydroxy-2(1H)-pyridinone as Siderophore and Tunichrome Analogues. |
| Authors of publication | Uppal, Ritika; Israel, Hayley P.; Incarvito, Christopher D.; Valentine, Ann M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 2342 |
| a | 9.5453 ± 0.0019 Å |
| b | 11.149 ± 0.002 Å |
| c | 13.218 ± 0.003 Å |
| α | 90° |
| β | 97.02 ± 0.03° |
| γ | 90° |
| Cell volume | 1396.1 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337294.cif |
| 179475 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72. |
4337294.cif |
| 106262 | 2014-03-15 | cif/ Adding structures of 4337293, 4337294, 4337295 via cif-deposit CGI script. |
4337294.cif |
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Users of the data should acknowledge the original authors of the
structural data.