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Information card for entry 4109732
Preview
| Coordinates | 4109732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ta-dimer |
|---|---|
| Formula | C36 H64 Cl2 N6 Ta2 |
| Calculated formula | C36 H64 Cl2 N6 Ta2 |
| Title of publication | Dinitrogen Activation at Ambient Temperatures: New Modes of H2 and PhSiH3 Additions for an "End-On-Bridged" [Ta(IV)]2(μ-η1:η1-N2) Complex and for the Bis(μ-nitrido) [Ta(V)(μ-N)]2 Product Derived from Facile N\τbN Bond Cleavage |
| Authors of publication | Masakazu Hirotsu; Philip P. Fontaine; Albert Epshteyn; Lawrence R. Sita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 9284 - 9285 |
| a | 18.869 ± 0.002 Å |
| b | 18.869 ± 0.002 Å |
| c | 23.021 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8196.4 ± 1.9 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178843 (current) | 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 4/10/97. |
4109732.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4109732.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109732.cif |
| 58510 | 2012-05-29 | cif/ Adding structures of 4109732 via cif-deposit CGI script. |
4109732.cif |
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