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Information card for entry 1559971
Preview
Coordinates | 1559971.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H30 Fe N2 O4 Si2 |
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Calculated formula | C20 H30 Fe N2 O4 Si2 |
SMILES | [Fe]1234(C#[O])(C#[O])([C]5(=O)[C]1(=[C]12[C]3(=[C]45[Si](C)(C)C)COC1)[Si](C)(C)C)=C1N(C=CN1C)C |
Title of publication | Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation |
Authors of publication | Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1407 - 1418 |
a | 8.4055 ± 0.0006 Å |
b | 18.3319 ± 0.0012 Å |
c | 15.0466 ± 0.001 Å |
α | 90° |
β | 92.57 ± 0.002° |
γ | 90° |
Cell volume | 2316.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0838 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.421 |
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/1559971.html
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Users of the data should acknowledge the original authors of the
structural data.