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Information card for entry 7041269
Preview
Coordinates | 7041269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H23 F10 Ir N5 P |
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Calculated formula | C38 H23 F10 Ir N5 P |
SMILES | [Ir]123([n]4ccccc4c4c2cc(F)cc4F)([n]2ccccc2c2c3cc(F)cc2F)[n]2c3ccccc3ccc2c2[n]1c1c([nH]2)cccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units. |
Authors of publication | Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 275 - 286 |
a | 18.2141 ± 0.0013 Å |
b | 25.3583 ± 0.0017 Å |
c | 8.7881 ± 0.0006 Å |
α | 90° |
β | 96.072 ± 0.002° |
γ | 90° |
Cell volume | 4036.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7041269.html
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