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Information card for entry 4087232
Preview
Coordinates | 4087232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 Cl Ir N O2 P |
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Calculated formula | C29 H38 Cl Ir N O2 P |
SMILES | [Ir]12([P](C(C)C)(C(C)C)C(C)C)(Cl)([n]3c(c4c2cccc4)ccc2ccccc32)OC(=CC(=[O]1)C)C |
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 | 9.4611 ± 0.0006 Å |
b | 15.0151 ± 0.001 Å |
c | 19.4449 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2762.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0245 |
Residual factor for significantly intense reflections | 0.0227 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.0498 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4087232.html
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