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Information card for entry 7036523
Preview
Coordinates | 7036523.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 Cl5 Ir N2 O3 S |
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Calculated formula | C25 H34 Cl5 Ir N2 O3 S |
SMILES | [Ir]12345(Cl)(OS(=O)(=O)CN6C=5N(C=C6)c5c(cc(cc5C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.C(Cl)Cl.C(Cl)Cl |
Title of publication | Ruthenium(ii) and iridium(iii) complexes featuring NHC-sulfonate chelate. |
Authors of publication | Rajaraman, A.; Sahoo, A. R.; Hild, F.; Fischmeister, C.; Achard, M.; Bruneau, C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 40 |
Pages of publication | 17467 - 17472 |
a | 34.3418 ± 0.0014 Å |
b | 8.5744 ± 0.0003 Å |
c | 26.5125 ± 0.0009 Å |
α | 90° |
β | 128.42 ± 0.001° |
γ | 90° |
Cell volume | 6116.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0369 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7036523.html
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Users of the data should acknowledge the original authors of the
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