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Information card for entry 7014036
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| Coordinates | 7014036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Re(i)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3 |
|---|---|
| Chemical name | Re(I)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3 |
| Formula | C18 H11 N2 O7 Re |
| Calculated formula | C18 H4 N2 O7 Re |
| Title of publication | A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study. |
| Authors of publication | Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 9 |
| Pages of publication | 1320 - 1328 |
| a | 20.232 ± 0.011 Å |
| b | 13.24 ± 0.005 Å |
| c | 14.296 ± 0.006 Å |
| α | 90° |
| β | 102.13 ± 0.06° |
| γ | 90° |
| Cell volume | 3744 ± 3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179844 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/40. |
7014036.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014036.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014036.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014036.cif |
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Users of the data should acknowledge the original authors of the
structural data.