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Information card for entry 4503902
Preview
Coordinates | 4503902.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(2, 5-di-p-tolyl-1, 3, 4-oxadiazolyl-C2,N)iridium (acetylacetonate) |
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Formula | C38 H35 Cl2 Ir N4 O4 |
Calculated formula | C38 H35 Cl2 Ir N4 O4 |
SMILES | c12c(cc(cc1)C)[Ir]13(c4c(ccc(c4)C)c4[n]1nc(c1ccc(cc1)C)o4)([n]1c2oc(c2ccc(C)cc2)n1)OC(=CC(C)=[O]3)C.C(Cl)Cl |
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 | 10.271 ± 0.0008 Å |
b | 13.3034 ± 0.001 Å |
c | 14.1672 ± 0.0011 Å |
α | 92.396 ± 0.001° |
β | 108.366 ± 0.001° |
γ | 98.271 ± 0.001° |
Cell volume | 1810.2 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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