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Information card for entry 7038061
Preview
Coordinates | 7038061.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H64 Ag2 Cl4 Ir2 N4 O4 |
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Calculated formula | C81 H62 Ag2 Cl2 Ir2 N4 O4 |
SMILES | [Ag]12([C](#[C]1c1cc(ccc1)OC)[Ir]13([C]4#[C]([Ag]456)c4cc(ccc4)OC)(c4ccccc4c4cccc[n]14)c1ccccc1c1cccc[n]31)[C]([Ir]13([C]5#[C]6c4cc(ccc4)OC)(c4ccccc4c4cccc[n]14)c1ccccc1c1cccc[n]31)#[C]2c1cc(ccc1)OC.ClCCl |
Title of publication | Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties. |
Authors of publication | Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3251 - 3255 |
a | 15.1965 ± 0.0006 Å |
b | 15.8191 ± 0.0007 Å |
c | 17.1188 ± 0.0004 Å |
α | 68.885 ± 0.002° |
β | 77.294 ± 0.002° |
γ | 71.265 ± 0.001° |
Cell volume | 3610.2 ± 0.2 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0684 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1054 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038061.html
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Users of the data should acknowledge the original authors of the
structural data.