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Information card for entry 7038060
Preview
Coordinates | 7038060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H58 Ir2 N4 O4 |
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Calculated formula | C68 H58 Ir2 N4 O4 |
SMILES | [Ir]1234([n]5ccccc5c5ccccc15)([n]1ccccc1c1ccccc21)[C](#[C]1c2cc(OC)ccc2)[Ir]125([n]1ccccc1c1ccccc51)([n]1ccccc1c1ccccc21)[C]3#[C]4c1cc(OC)ccc1.O=C(C)C.O=C(C)C |
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 | 14.843 ± 0.0004 Å |
b | 26.486 ± 0.0007 Å |
c | 27.973 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10997.1 ± 0.5 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d 2 d |
Hall space group symbol | F -2d -2d |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0483 |
Weighted residual factors for all reflections included in the refinement | 0.0503 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
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
structural data.