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Information card for entry 4326668
Preview
Coordinates | 4326668.cif |
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Original paper (by DOI) | HTML |
Common name | [(ppy)2Ir(AcacPh-Pyr)] |
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Formula | C59 H55 Ir N2 O4 |
Calculated formula | C51 H35 Ir N2 O2 |
SMILES | [Ir]123(OC(=C(C(=[O]1)C)c1ccc(cc1)C#Cc1ccc4ccc5cccc6ccc1c4c56)C)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31 |
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 | 9.516 ± 0.004 Å |
b | 11.742 ± 0.006 Å |
c | 20.778 ± 0.012 Å |
α | 105.31 ± 0.05° |
β | 90.39 ± 0.04° |
γ | 91.63 ± 0.04° |
Cell volume | 2238 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4326668.html
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Users of the data should acknowledge the original authors of the
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