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Information card for entry 4503901
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Coordinates | 4503901.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetrakis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole-C~2~,N](u-dichloro) diiridium (III) dichloromethane solvate |
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Formula | C66 H56 Cl6 Ir2 N8 O12 |
Calculated formula | C66 H56 Cl6 Ir2 N8 O12 |
Title of publication | Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes |
Authors of publication | Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 39 |
a | 11.5352 ± 0.001 Å |
b | 23.39 ± 0.002 Å |
c | 25.239 ± 0.002 Å |
α | 90° |
β | 98.423 ± 0.002° |
γ | 90° |
Cell volume | 6736.2 ± 1 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0711 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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