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Information card for entry 4338735
Preview
| Coordinates | 4338735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H40 Cl3 N10 O14 Ru2 |
|---|---|
| Calculated formula | C54 H40 Cl3 N10 O14 Ru2 |
| SMILES | c12c3c4ccccc4c4c2c(ccc1N[Ru]12(O3)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1cccc[n]21)N[Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)O4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands. |
| Authors of publication | Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 6082 - 6093 |
| a | 19.3268 ± 0.0009 Å |
| b | 19.3522 ± 0.0003 Å |
| c | 11.0599 ± 0.0005 Å |
| α | 90° |
| β | 132.208 ± 0.007° |
| γ | 90° |
| Cell volume | 3064 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179490 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/87. |
4338735.cif |
| 119107 | 2014-07-05 | cif/ Updating files of 4338735, 4338736, 4338737 Original log message: Adding full bibliography for 4338735--4338737.cif. |
4338735.cif |
| 115967 | 2014-06-06 | cif/ Adding structures of 4338735 via cif-deposit CGI script. |
4338735.cif |
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