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Information card for entry 7045270
Preview
| Coordinates | 7045270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 Ag N6 Na O7 S2 |
|---|---|
| Calculated formula | C23 H28 Ag N6 Na O7 S2 |
| SMILES | C(CCS(=O)(=O)[O-])N1C=CN(c2ncccc2)C1=[Ag]=C1N(C=CN1c1ncccc1)CCCS(=O)(=O)[O-].OC.[Na+] |
| Title of publication | Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis. |
| Authors of publication | Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 7 |
| Pages of publication | 2318 - 2329 |
| a | 9.0008 ± 0.0003 Å |
| b | 12.2235 ± 0.0004 Å |
| c | 13.4457 ± 0.0005 Å |
| α | 71.899 ± 0.002° |
| β | 82.767 ± 0.002° |
| γ | 76.054 ± 0.002° |
| Cell volume | 1362.57 ± 0.08 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229795 (current) | 2019-11-17 | cif/ Updating files of 7045269, 7045270, 7045271, 7045272, 7045273, 7045274, 7045275 Original log message: Adding full bibliography for 7045269--7045275.cif. |
7045270.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
7045270.cif |
| 205111 | 2018-01-12 | cif/ Adding structures of 7045269, 7045270, 7045271, 7045272, 7045273, 7045274, 7045275 via cif-deposit CGI script. |
7045270.cif |
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