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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| A | B | C |
|---|---|---|
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rSiCl | 2.019 | 1 | 2 | 1969Rya/Hed:4986 | !assumed tetrahedral | ||
| aClSiCl | 109.4712 | 2 | 1 | 3 | symmetry | ||
| Bond Type | Count |
|---|---|
| Si-Cl | 4 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| Si1 | 0.0000 | 0.0000 | 0.0000 |
| Cl2 | 1.1657 | 1.1657 | 1.1657 |
| Cl3 | -1.1657 | -1.1657 | 1.1657 |
| Cl4 | -1.1657 | 1.1657 | -1.1657 |
| Cl5 | 1.1657 | -1.1657 | -1.1657 |
| Si1 | Cl2 | Cl3 | Cl4 | Cl5 | |
|---|---|---|---|---|---|
| Si1 | 2.0190 | 2.0190 | 2.0190 | 2.0190 | |
| Cl2 | 2.0190 | 3.2970 | 3.2970 | 3.2970 | |
| Cl3 | 2.0190 | 3.2970 | 3.2970 | 3.2970 | |
| Cl4 | 2.0190 | 3.2970 | 3.2970 | 3.2970 | |
| Cl5 | 2.0190 | 3.2970 | 3.2970 | 3.2970 |
| squib | reference | DOI |
|---|---|---|
| 1969Rya/Hed:4986 | Ryan, Hedberg, Effect of Temperature on the Structure of Gaseous Molecules.* II. An Electron-Diffraction Investigation of the Molecular Structures of B2Cl4 and SiCl4. The Potential Function for Internal Rotation in B2Cl4., J. Chem. Phys., Vol. 50, #11, pgs. 4986-4995 | 10.1063/1.1670995 |
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