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Information card for entry 4089222
Preview
Coordinates | 4089222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H43 Cl3 Ir N5 O3 |
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Calculated formula | C43 H43 Cl3 Ir N5 O3 |
SMILES | [n]1(ccn(c1)C)[Ir]123([n]4ccn(c4)C)Oc4c(c5[n]1c(c1c2c(c2cc(C(C)(C)C)ccc2O3)ccc1)cc(c5)c1ccc(C)cc1)cccc4.ClC(Cl)Cl.O |
Title of publication | Luminescent Iridium(III) Complexes Supported by a Tetradentate Trianionic Ligand Scaffold with Mixed O, N, and C Donor Atoms: Synthesis, Structures, Photophysical Properties, and Material Applications |
Authors of publication | Chen, Daqing; Li, Kai; Guan, Xiangguo; Cheng, Gang; Yang, Chen; Che, Chi-Ming |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1331 |
a | 12.33 ± 0.003 Å |
b | 12.749 ± 0.003 Å |
c | 14.037 ± 0.003 Å |
α | 113.973 ± 0.007° |
β | 92.342 ± 0.007° |
γ | 101.422 ± 0.007° |
Cell volume | 1958.1 ± 0.8 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0665 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1632 |
Weighted residual factors for all reflections included in the refinement | 0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089222.html
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