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Information card for entry 7705155
Preview
| Coordinates | 7705155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32.5 H27 Cl F6 Ir N7 O0.5 P |
|---|---|
| Calculated formula | C32.5 H27 Cl F6 Ir N7 O0.5 P |
| SMILES | [Ir]123([n]4n(ccc4)c4c2cccc4)([n]2n(ccc2)c2c3cccc2)[n]2[nH]c(cc2c2[n]1cccc2)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O.C(Cl)Cl |
| Title of publication | Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH. |
| Authors of publication | Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 34 |
| Pages of publication | 12025 - 12036 |
| a | 19.438 ± 0.003 Å |
| b | 16.341 ± 0.003 Å |
| c | 21.309 ± 0.004 Å |
| α | 90° |
| β | 106.081 ± 0.003° |
| γ | 90° |
| Cell volume | 6504 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294326 (current) | 2024-09-02 | cif/7: Fixing some Z values and formulae |
7705155.cif |
| 256105 | 2020-09-06 | cif/ Updating files of 7705149, 7705150, 7705151, 7705152, 7705153, 7705154, 7705155, 7705156 Original log message: Adding full bibliography for 7705149--7705156.cif. |
7705155.cif |
| 255307 | 2020-08-14 | cif/ Adding structures of 7705149, 7705150, 7705151, 7705152, 7705153, 7705154, 7705155, 7705156 via cif-deposit CGI script. |
7705155.cif |
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