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Information card for entry 4089171
Preview
Coordinates | 4089171.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H33 Mn N2 O Si |
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Calculated formula | C32 H33 Mn N2 O Si |
SMILES | C(#[O])[MnH]12345(=C6N(C=CN6CC[c]61[cH]5[cH]4[cH]3[cH]26)c1c(cc(cc1C)C)C)[SiH](c1ccccc1)c1ccccc1 |
Title of publication | Half-Sandwich Manganese Complexes Bearing Cp Tethered N-Heterocyclic Carbene Ligands: Synthesis and Mechanistic Insights into the Catalytic Ketone Hydrosilylation |
Authors of publication | Valyaev, Dmitry A.; Wei, Duo; Elangovan, Saravanakumar; Cavailles, Matthieu; Dorcet, Vincent; Sortais, Jean-Baptiste; Darcel, Christophe; Lugan, Noël |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 24 |
Pages of publication | 4090 |
a | 11.8276 ± 0.0005 Å |
b | 17.7797 ± 0.0007 Å |
c | 28.1804 ± 0.0017 Å |
α | 90° |
β | 97.803 ± 0.005° |
γ | 90° |
Cell volume | 5871.2 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0364 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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/4089171.html
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