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Information card for entry 4073896
Preview
| Coordinates | 4073896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H47 F5.5 N P2 Ta |
|---|---|
| Calculated formula | C35 H47 F5.5 N P2 Ta |
| Title of publication | Bis(methylidene) Complex of Tantalum Supported by a PNP Ligand |
| Authors of publication | Gerber, Laura C. H.; Watson, Lori A.; Parkin, Sean; Weng, Wei; Foxman, Bruce M.; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 20 |
| Pages of publication | 4866 |
| a | 13.0229 ± 0.0007 Å |
| b | 17.3001 ± 0.0008 Å |
| c | 16.3817 ± 0.0009 Å |
| α | 90° |
| β | 109.13 ± 0.0011° |
| γ | 90° |
| Cell volume | 3486.9 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for all reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8312 |
| 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. |
4073896.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4073896.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073896.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073896.cif |
| 46613 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073896 via cif-deposit CGI script. |
4073896.cif |
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Users of the data should acknowledge the original authors of the
structural data.