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Information card for entry 7039714
Preview
Coordinates | 7039714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H35 Cl F4 Ir N10 O6 Re |
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Calculated formula | C51 H35 Cl F4 Ir N10 O6 Re |
SMILES | [Ir]123([n]4c(cccc4)c4[n]1n(cc4)Cc1cc(Cn4[n]5[Re](Cl)([n]6c(cccc6)c5cc4)(C#[O])(C#[O])C#[O])ccc1)([n]1c(cccc1)c1c(cc(cc21)F)F)[n]1c(cccc1)c1c(cc(cc31)F)F.N(=O)(=O)[O-].N#CC |
Title of publication | Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer. |
Authors of publication | Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 28 |
Pages of publication | 11568 - 11579 |
a | 10.8363 ± 0.0005 Å |
b | 12.5992 ± 0.0007 Å |
c | 18.0874 ± 0.0009 Å |
α | 77.485 ± 0.003° |
β | 89.899 ± 0.003° |
γ | 89.764 ± 0.003° |
Cell volume | 2410.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0686 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7039714.html
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Users of the data should acknowledge the original authors of the
structural data.