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Information card for entry 4127239
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4127239.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5 |
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Formula | C44 H51 Cl2 F6 Mo N3 O6 S2 |
Calculated formula | C44 H51 Cl2 F6 Mo N3 O6 S2 |
SMILES | [Mo](OS(=O)(=O)C(F)(F)F)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(cccc1)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)=CC(C)(C)c1ccccc1.C(Cl)Cl |
Title of publication | Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. |
Authors of publication | Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 20 |
Pages of publication | 8264 - 8276 |
a | 22.397 ± 0.0012 Å |
b | 18.0764 ± 0.001 Å |
c | 11.9381 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4833.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1142 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4127239.html
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Users of the data should acknowledge the original authors of the
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