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Information card for entry 7707210
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Coordinates | 7707210.cif |
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Original paper (by DOI) | HTML |
Formula | C62 H39.5 Ir N4.5 O2 S0.5 |
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Calculated formula | C62 H39.5 Ir N4.5 O2 S0.5 |
Title of publication | Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes. |
Authors of publication | Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 20 |
Pages of publication | 6889 - 6900 |
a | 13.7602 ± 0.0005 Å |
b | 18.4965 ± 0.0005 Å |
c | 22.4727 ± 0.0006 Å |
α | 111.718 ± 0.001° |
β | 97.918 ± 0.001° |
γ | 105.241 ± 0.001° |
Cell volume | 4947.4 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0537 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.0858 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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