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Information card for entry 7714786
Preview
| Coordinates | 7714786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru(II) complex of pyrimidine-triazole ligand |
|---|---|
| Chemical name | [Ru(L4-pyrimidine)3](PF6)2.2MeCN?Et2O |
| Formula | C57 H45 F12 N15 P2 Ru |
| Calculated formula | C57 H45 F12 N15 P2 Ru |
| SMILES | [Ru]123([n]4nc(n(c4c4[n]2cncc4)c2ccc(C)cc2)c2ccccc2)([n]2nc(n(c2c2[n]3cncc2)c2ccc(cc2)C)c2ccccc2)[n]2c(c3[n]1nc(n3c1ccc(C)cc1)c1ccccc1)ccnc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Predictable electronic tuning of Fe<sup>II</sup> and Ru<sup>II</sup> complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i><sub>a</sub> with <i>E</i><sub>pa</sub>(M<sup>III/II</sup>) of complex. |
| Authors of publication | Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 1999 - 2007 |
| a | 14.436 ± 0.001 Å |
| b | 16.0577 ± 0.001 Å |
| c | 17.3704 ± 0.0012 Å |
| α | 103.299 ± 0.006° |
| β | 112.553 ± 0.007° |
| γ | 105.024 ± 0.006° |
| Cell volume | 3337.6 ± 0.5 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.124 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2727 |
| Weighted residual factors for all reflections included in the refinement | 0.3036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289479 (current) | 2024-02-04 | cif/ Updating files of 7714784, 7714785, 7714786 Original log message: Adding full bibliography for 7714784--7714786.cif. |
7714786.cif |
| 288454 | 2023-12-21 | cif/ Adding structures of 7714784, 7714785, 7714786 via cif-deposit CGI script. |
7714786.cif |
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