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Information card for entry 7700578
Preview
| Coordinates | 7700578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H25 F12 N5 O P2 Ru |
|---|---|
| Calculated formula | C23 H25 F12 N5 O P2 Ru |
| Title of publication | Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes. |
| Authors of publication | Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 35 |
| Pages of publication | 13154 - 13161 |
| a | 8.0227 ± 0.0016 Å |
| b | 17.867 ± 0.004 Å |
| c | 10.601 ± 0.002 Å |
| α | 90° |
| β | 109.214 ± 0.002° |
| γ | 90° |
| Cell volume | 1434.9 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| 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. |
7700578.cif |
| 224489 | 2019-11-08 | cif/ Updating files of 7700578, 7700579, 7700580 Original log message: Adding full bibliography for 7700578--7700580.cif. |
7700578.cif |
| 217091 | 2019-07-17 | cif/ Adding structures of 7700578, 7700579, 7700580 via cif-deposit CGI script. |
7700578.cif |
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Users of the data should acknowledge the original authors of the
structural data.