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Information card for entry 7705151
Preview
| Coordinates | 7705151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H46 F6 Ir N5 O0.5 P |
|---|---|
| Calculated formula | C34 H32 F6 Ir N5 O0.5 P |
| SMILES | [Ir]123([n]4ccccc4c4ccccc24)([n]2ccccc2c2ccccc32)[n]2[nH]c(cc2c2[n]1cccc2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].O |
| 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 | 11.648 ± 0.005 Å |
| b | 16.487 ± 0.007 Å |
| c | 19.704 ± 0.009 Å |
| α | 91.865 ± 0.007° |
| β | 100.706 ± 0.007° |
| γ | 93.332 ± 0.007° |
| Cell volume | 3708 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0933 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| 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 |
7705151.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. |
7705151.cif |
| 255307 | 2020-08-14 | cif/ Adding structures of 7705149, 7705150, 7705151, 7705152, 7705153, 7705154, 7705155, 7705156 via cif-deposit CGI script. |
7705151.cif |
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Users of the data should acknowledge the original authors of the
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