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Information card for entry 4087226
Preview
Coordinates | 4087226.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H54 Ir N P2 |
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Calculated formula | C33 H54 Ir N P2 |
SMILES | [IrH2]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2c(c3c1cccc3)ccc1c2cccc1 |
Title of publication | Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands |
Authors of publication | Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U. |
Journal of publication | Organometallics |
Year of publication | 2017 |
a | 10.1874 ± 0.0012 Å |
b | 10.8208 ± 0.0012 Å |
c | 14.5916 ± 0.0017 Å |
α | 90.186 ± 0.002° |
β | 98.797 ± 0.002° |
γ | 91.385 ± 0.002° |
Cell volume | 1589.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0264 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0595 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
Diffraction radiation wavelength | 0.71073 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/4087226.html
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