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Information card for entry 4326669
Preview
Coordinates | 4326669.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(ppy)2Ir(AcacPhI)] |
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Formula | C37 H32 I Ir N4 O2 |
Calculated formula | C37 H32 I Ir N4 O2 |
SMILES | [Ir]123([O]=C(C(=C(O1)C)c1ccc(I)cc1)C)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.N#CC.N#CC |
Title of publication | Excited-State Properties of Heteroleptic Iridium(III) Complexes Bearing Aromatic Hydrocarbons with Extended Cores |
Authors of publication | Fabian Spaenig; Jean-Hubert Olivier; Valentina Prusakova; Pascal Retailleau; Raymond Ziessel; Felix N. Castellano |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10859 - 10871 |
a | 10.124 ± 0.004 Å |
b | 13.335 ± 0.005 Å |
c | 13.893 ± 0.005 Å |
α | 110.81 ± 0.02° |
β | 100.08 ± 0.02° |
γ | 93.96 ± 0.01° |
Cell volume | 1708.5 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4326669.html
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