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Information card for entry 7049774
Preview
| Coordinates | 7049774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C231 H234 Cl6 F48 N36 P16 Ru8 |
|---|---|
| Calculated formula | C231 H234 Cl6 F48 N36 P16 Ru8 |
| Title of publication | Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system. |
| Authors of publication | Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 22 |
| Pages of publication | 7809 - 7816 |
| a | 24.139 ± 0.007 Å |
| b | 28.614 ± 0.008 Å |
| c | 19.264 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13306 ± 6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0912 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1839 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049774.cif |
| 223824 | 2019-11-07 | cif/ Updating files of 7049771, 7049772, 7049773, 7049774, 7049775, 7049776 Original log message: Adding full bibliography for 7049771--7049776.cif. |
7049774.cif |
| 214696 | 2019-04-19 | cif/ Adding structures of 7049771, 7049772, 7049773, 7049774, 7049775, 7049776 via cif-deposit CGI script. |
7049774.cif |
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Users of the data should acknowledge the original authors of the
structural data.