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Information card for entry 4127238
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4127238.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2a |
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Formula | C39 H41 F6 Mo N3 O7 S2 |
Calculated formula | C39 H41 F6 Mo N3 O7 S2 |
SMILES | [Mo]1(OS(=O)(=O)C(F)(F)F)(=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(=Nc2c(cccc2C)C)(OS(=O)(=O)C(F)(F)F)[O](c2c(C=1)cccc2)C |
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 | 19.107 ± 0.0014 Å |
b | 12.1469 ± 0.0008 Å |
c | 17.3938 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4036.9 ± 0.5 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0576 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0587 |
Weighted residual factors for all reflections included in the refinement | 0.063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4127238.html
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Users of the data should acknowledge the original authors of the
structural data.