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Information card for entry 4106328
Preview
Coordinates | 4106328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 N3 O2 S3 Zn |
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Calculated formula | C17 H13 N3 O2 S3 Zn |
SMILES | [Zn]123(OC=O)[n]4c(SC3(Sc3[n]1cccc3)Sc1[n]2cccc1)cccc4 |
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 | 14.0412 ± 0.0009 Å |
b | 14.5162 ± 0.001 Å |
c | 9.1317 ± 0.0006 Å |
α | 90° |
β | 96.085 ± 0.001° |
γ | 90° |
Cell volume | 1850.8 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4106328.html
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Users of the data should acknowledge the original authors of the
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