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Information card for entry 7700059
Preview
| Coordinates | 7700059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C110 H122 F12 N10 P6 Ru4 |
|---|---|
| Calculated formula | C110 H122 F12 N10 P6 Ru4 |
| Title of publication | The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex. |
| Authors of publication | Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 25 |
| Pages of publication | 9303 - 9309 |
| a | 32.2832 ± 0.0016 Å |
| b | 32.2832 ± 0.0016 Å |
| c | 32.2832 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 33646 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 197 |
| Hermann-Mauguin space group symbol | I 2 3 |
| Hall space group symbol | I 2 2 3 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700059.cif |
| 224201 | 2019-11-08 | cif/ Updating files of 7700056, 7700057, 7700058, 7700059 Original log message: Adding full bibliography for 7700056--7700059.cif. |
7700059.cif |
| 215462 | 2019-05-24 | cif/ Adding structures of 7700056, 7700057, 7700058, 7700059 via cif-deposit CGI script. |
7700059.cif |
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Users of the data should acknowledge the original authors of the
structural data.