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Information card for entry 4104268
Preview
| Coordinates | 4104268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 Cl2 N3 O2 Ta |
|---|---|
| Calculated formula | C20 H26 Cl2 N3 O2 Ta |
| SMILES | N12[Ta](N(c3c1ccc(c3)OC)C(C)C)(N(c1c2ccc(c1)OC)C(C)C)(Cl)Cl |
| Title of publication | One- and Two-Electron Reactivity of a Tantalum(V) Complex with a Redox-Active Tris(amido) Ligand |
| Authors of publication | Andy I. Nguyen; Karen J. Blackmore; Shawn M. Carter; Ryan A. Zarkesh; Alan F. Heyduk |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 3307 - 3316 |
| a | 15.8698 ± 0.0014 Å |
| b | 15.8698 ± 0.0014 Å |
| c | 16.868 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4248.2 ± 0.6 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0473 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4104268.cif |
| 178788 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/42. |
4104268.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104268.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104268.cif |
| 28791 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4104268 via cif-deposit CGI script. |
4104268.cif |
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Users of the data should acknowledge the original authors of the
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