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Information card for entry 4121108
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4121108.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H42 N O2 P2 Re |
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Calculated formula | C25 H42 N O2 P2 Re |
SMILES | [Re]12([P](Cc3cccc([n]23)C=P1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O] |
Title of publication | Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design |
Authors of publication | Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 17004 - 17018 |
a | 11.3342 ± 0.0003 Å |
b | 15.5145 ± 0.0003 Å |
c | 30.5847 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5378.1 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P n a a |
Hall space group symbol | -P 2ac 2bc |
Residual factor for all reflections | 0.0793 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1404 |
Weighted residual factors for all reflections included in the refinement | 0.1506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4121108.html
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Users of the data should acknowledge the original authors of the
structural data.