| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries | |
| A | B | C |
|---|---|---|
| 0.09549 | 0.06185 | 0.06185 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rCF | 1.320 | 1 | 3 | JANAF | |||
| rCC | 1.560 | 1 | 2 | JANAF | |||
| aCCF | 109.5 | 1 | 2 | 6 | JANAF | ||
| Bond Type | Count |
|---|---|
| C-F | 6 |
| C-C | 1 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| C1 | 0.0000 | 0.0000 | 0.7800 |
| C2 | 0.0000 | 0.0000 | -0.7800 |
| F3 | 0.0000 | 1.2443 | 1.2206 |
| F4 | -1.0776 | -0.6221 | 1.2206 |
| F5 | 1.0776 | -0.6221 | 1.2206 |
| F6 | 0.0000 | -1.2443 | -1.2206 |
| F7 | -1.0776 | 0.6221 | -1.2206 |
| F8 | 1.0776 | 0.6221 | -1.2206 |
| C1 | C2 | F3 | F4 | F5 | F6 | F7 | F8 | |
|---|---|---|---|---|---|---|---|---|
| C1 | 1.5600 | 1.3200 | 1.3200 | 1.3200 | 2.3560 | 2.3560 | 2.3560 | |
| C2 | 1.5600 | 2.3560 | 2.3560 | 2.3560 | 1.3200 | 1.3200 | 1.3200 | |
| F3 | 1.3200 | 2.3560 | 2.1552 | 2.1552 | 3.4861 | 2.7401 | 2.7401 | |
| F4 | 1.3200 | 2.3560 | 2.1552 | 2.1552 | 2.7401 | 2.7401 | 3.4861 | |
| F5 | 1.3200 | 2.3560 | 2.1552 | 2.1552 | 2.7401 | 3.4861 | 2.7401 | |
| F6 | 2.3560 | 1.3200 | 3.4861 | 2.7401 | 2.7401 | 2.1552 | 2.1552 | |
| F7 | 2.3560 | 1.3200 | 2.7401 | 2.7401 | 3.4861 | 2.1552 | 2.1552 | |
| F8 | 2.3560 | 1.3200 | 2.7401 | 3.4861 | 2.7401 | 2.1552 | 2.1552 |
| squib | reference | DOI |
|---|---|---|
| JANAF | Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1. |
Got a better number? Please email us at
[email protected]
| Browse | |
|---|---|
| Previous | Next |