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Information card for entry 7019623
Preview
| Coordinates | 7019623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H30 N2 O4 Ru |
|---|---|
| Calculated formula | C16 H30 N2 O4 Ru |
| SMILES | [Ru]123([N](C)(CC[N]1(C)C)C)(OC(=CC(=[O]3)C)C)[O]=C(C)C=C(O2)C |
| Title of publication | Synthesis and X-ray structure of ruthenium bis(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine). |
| Authors of publication | Halbach, Robert L.; Nocton, Grégory; Andersen, Richard A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 29 |
| Pages of publication | 8809 - 8812 |
| a | 7.9351 ± 0.0003 Å |
| b | 9.8757 ± 0.0004 Å |
| c | 13.0361 ± 0.0006 Å |
| α | 75.572 ± 0.001° |
| β | 88.322 ± 0.001° |
| γ | 70.24 ± 0.001° |
| Cell volume | 929.4 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019623.cif |
| 179900 | 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 7/01/96. |
7019623.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019623.cif |
| 62925 | 2012-07-09 | cif/ Adding structures of 7019623 via cif-deposit CGI script. |
7019623.cif |
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Users of the data should acknowledge the original authors of the
structural data.