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Information card for entry 4075855
Preview
| Coordinates | 4075855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H73 Al N6 P2 Si4 Ta2 |
|---|---|
| Calculated formula | C52 H72.531 Al N6 P2 Si4 Ta2 |
| SMILES | [Ta]1234([TaH]56([P](C[Si](N6c6ccccc6)(C)C)(C[Si](N([Al](=[N]=3)(CC(C)C)[H]5)c3ccccc3)(C)C)c3ccccc3)=[N]=4)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)c1ccccc1 |
| Title of publication | Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement |
| Authors of publication | MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 16 |
| Pages of publication | 3836 |
| a | 22.6221 ± 0.0006 Å |
| b | 13.3919 ± 0.0003 Å |
| c | 19.7152 ± 0.0005 Å |
| α | 90° |
| β | 101.282 ± 0.002° |
| γ | 90° |
| Cell volume | 5857.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.865 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287896 (current) | 2023-11-30 | cif/ Removed several data items related to the submission of the original publication from multiple entries. |
4075855.cif |
| 178647 | 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 4/07/58. |
4075855.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075855.cif |
| 50704 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075855 via cif-deposit CGI script. |
4075855.cif |
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Users of the data should acknowledge the original authors of the
structural data.