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Information card for entry 7115373
Preview
Coordinates | 7115373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H62 F3 Ir2 N9 O3 S |
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Calculated formula | C58 H62 F3 Ir2 N9 O3 S |
SMILES | [Ir]12(N=N#[N][Ir]34[N](c5c(C)cccc5C)=C(c5[n]3c(C(=[N]4c3c(C)cccc3C)C)ccc5)C)[N](c3c(C)cccc3C)=C(c3[n]1c(C(=[N]2c1c(C)cccc1C)C)ccc3)C.FC(F)(F)S(=O)(=O)[O-].c1ccc(C)cc1 |
Title of publication | Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes |
Authors of publication | Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 8735 |
a | 18.049 ± 0.003 Å |
b | 15.45 ± 0.003 Å |
c | 20.89 ± 0.004 Å |
α | 90° |
β | 97.103 ± 0.003° |
γ | 90° |
Cell volume | 5780.6 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1024 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
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/7115373.html
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