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Information card for entry 4110164
Preview
| Coordinates | 4110164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tantalum |
|---|---|
| Chemical name | tantalum amide hydroamide |
| Formula | C10 H30 N5 O2 Ta |
| Calculated formula | C10 H30 N5 O2 Ta |
| SMILES | CN(C)[Ta]12(N(C)C)(N(C)C)([N](C)(C)O1)[N](C)(C)O2 |
| Title of publication | Reaction of Ta(NMe2)5 with O2: Formation of Aminoxy and Unusual (Aminomethyl)amide Oxo Complexes and Theoretical Studies of the Mechanistic Pathways |
| Authors of publication | Shu-Jian Chen; Xin-Hao Zhang; Xianghua Yu; He Qiu; Glenn P. A. Yap; Ilia A. Guzei; Zhenyang Lin; Yun-Dong Wu; Zi-Ling Xue |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14408 - 14421 |
| a | 8.273 ± 0.009 Å |
| b | 13.077 ± 0.014 Å |
| c | 16.25 ± 0.017 Å |
| α | 90° |
| β | 99.88 ± 0.018° |
| γ | 90° |
| Cell volume | 1732 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110164.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110164.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110164.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110164.cif |
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