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Information card for entry 4339940
Preview
Coordinates | 4339940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H49 Cl2 Ir2 N9 O8 |
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Calculated formula | C68 H49 Cl2 Ir2 N9 O8 |
SMILES | [Ir]123([n]4ccccc4c4[n]1c1c(cc4)c4c([n]5[Ir]67([n]8c(c5cc4)cccc8)([n]4c(c5c6cccc5)cccc4)[n]4c(c5c7cccc5)cccc4)cc1)([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC |
Title of publication | Bimetallic iridium(III) complexes consisting of Ir(ppy)(2) units (ppy = 2-phenylpyridine) and two laterally connected N/Ν chelates as bridge: synthesis, separation, and photophysical properties. |
Authors of publication | Auffrant, Audrey; Barbieri, Andrea; Barigelletti, Francesco; Lacour, Jérôme; Mobian, Pierre; Collin, Jean-Paul; Sauvage, Jean-Pierre; Ventura, Barbara |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 6911 - 6919 |
a | 51.366 ± 0.0006 Å |
b | 15.024 ± 0.0002 Å |
c | 16.383 ± 0.0002 Å |
α | 90° |
β | 107.887 ± 0.0006° |
γ | 90° |
Cell volume | 12032 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1014 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4339940.html
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