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Information card for entry 7036906
Preview
Coordinates | 7036906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H41 F18 Ir N7 O P3 |
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Calculated formula | C38 H41 F18 Ir N7 O P3 |
SMILES | [Ir]123([n]4ccccc4c4cc[n+](cc24)C)([n]2ccccc2c2cc[n+](cc32)C)[n]2ccccc2c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CCOCC.CC#N |
Title of publication | Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence. |
Authors of publication | Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20392 - 20405 |
a | 12.2122 ± 0.0007 Å |
b | 21.6961 ± 0.0012 Å |
c | 17.2606 ± 0.0009 Å |
α | 90° |
β | 101.776 ± 0.001° |
γ | 90° |
Cell volume | 4477.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 7 |
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 | 0.05 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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