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Information card for entry 7029417
Preview
Coordinates | 7029417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H33 Cl2 Ir N2 O6 |
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Calculated formula | C32 H33 Cl2 Ir N2 O6 |
Title of publication | Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter. |
Authors of publication | Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5667 - 5679 |
a | 23.041 ± 0.003 Å |
b | 10.8791 ± 0.0015 Å |
c | 26.008 ± 0.005 Å |
α | 90° |
β | 104.362 ± 0.009° |
γ | 90° |
Cell volume | 6315.6 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0333 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0568 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7029417.html
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Users of the data should acknowledge the original authors of the
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