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Information card for entry 1516145
Preview
Coordinates | 1516145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H27 Cl F3 Ir N4 O3 S |
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Calculated formula | C25 H27 Cl F3 Ir N4 O3 S |
SMILES | [Ir]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1ccccc1c1c5[n+](nn1C)c1ccccc1.O=S(=O)([O-])C(F)(F)F |
Title of publication | Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights |
Authors of publication | Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan |
Journal of publication | Energy & Environmental Science |
Year of publication | 2014 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 2316 |
a | 12.3897 ± 0.0003 Å |
b | 16.3148 ± 0.0003 Å |
c | 14.676 ± 0.0004 Å |
α | 90° |
β | 114.395 ± 0.003° |
γ | 90° |
Cell volume | 2701.69 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0268 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.0382 |
Weighted residual factors for all reflections included in the refinement | 0.0403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/1516145.html
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