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Information card for entry 7228791
Preview
Coordinates | 7228791.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H35 Ir N6 O2 |
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Calculated formula | C54 H35 Ir N6 O2 |
SMILES | c12ccccc1c1c(c3ccccc3)nc3ccccc3[n]1[Ir]132(c2ccccc2c2c(c4ccccc4)nc4ccccc4[n]12)[n]1c(c2c(cccc2)O3)oc(n1)c1ccccc1 |
Title of publication | Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands |
Authors of publication | Jing, Yi-Ming; Zheng, You-Xuan |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 59 |
Pages of publication | 37021 |
a | 11.3469 ± 0.0019 Å |
b | 31.314 ± 0.005 Å |
c | 13.335 ± 0.002 Å |
α | 90° |
β | 110.451 ± 0.003° |
γ | 90° |
Cell volume | 4439.5 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.121 |
Residual factor for significantly intense reflections | 0.104 |
Weighted residual factors for significantly intense reflections | 0.2567 |
Weighted residual factors for all reflections included in the refinement | 0.2655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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199367 (current) | 2017-07-27 | cif/ Adding structures of 7228790, 7228791 via cif-deposit CGI script. |
7228791.cif |
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