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Information card for entry 4325232
Preview
Coordinates | 4325232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H37 Ir N3 O3 P S |
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Calculated formula | C37 H37 Ir N3 O3 P S |
SMILES | [Ir]123([P](Oc4c2cccc4)(Oc2c3cccc2)Oc2ccccc2)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)N=C=S |
Title of publication | Emissive Iridium(III) Diimine Complexes Formed by Double Cyclometalation of Coordinated Triphenylphosphite |
Authors of publication | Yao-Yuan Chang; Jui-Yi Hung; Yun Chi; Jong-Pyng Chyn; Min-Wen Chung; Chia-Li Lin; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hao Chang; Wei-Chieh Lin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5075 - 5084 |
a | 17.9687 ± 0.0008 Å |
b | 17.0664 ± 0.0008 Å |
c | 21.9546 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6732.6 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0618 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/4325232.html
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