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Information card for entry 7206164
Preview
| Coordinates | 7206164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H48 N12 O Ru2 |
|---|---|
| Calculated formula | C52 H48 N12 O Ru2 |
| SMILES | c1(ccccc1)N1N=[N](c2ccccc2)[Ru]234[N](c5ccccc5)=NN(c5ccccc5)[Ru]14([N](c1ccccc1)=NN2c1ccccc1)[N](c1ccccc1)=NN3c1ccccc1.C1CCCO1 |
| Title of publication | Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands |
| Authors of publication | Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A. |
| Journal of publication | Green Chemistry |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 1885 |
| a | 18.7033 ± 0.0013 Å |
| b | 25.8907 ± 0.0018 Å |
| c | 9.8896 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4789 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.2126 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.1835 |
| Weighted residual factors for all reflections included in the refinement | 0.2572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180392 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206164.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206164.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206164.cif |
| 23548 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206164, 7206165, 7206166, 7206167 via cif-deposit CGI script. |
7206164.cif |
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