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Information card for entry 4106326
Preview
Coordinates | 4106326.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H15 N3 S3 Zn |
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Calculated formula | C17 H15 N3 S3 Zn |
SMILES | [Zn]12([n]3c(SC2(Sc2[n]1cccc2)Sc1ncccc1)cccc3)C |
Title of publication | Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands |
Authors of publication | Wesley Sattler; Gerard Parkin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9708 - 9711 |
a | 9.174 ± 0.007 Å |
b | 14.901 ± 0.011 Å |
c | 27.65 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3780 ± 5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0829 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4106326.html
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