|
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 > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for CuF2 (Copper difluoride)
2Πg D*H
1910171554
InChI=1S/Cu.2FH/h;2*1H/q+2;;/p-2 INChIKey=GWFAVIIMQDUCRA-UHFFFAOYSA-L
CBS-Q
Point group is D∞h
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Cu1 |
0.0000 |
0.0000 |
0.0000 |
| F2 |
0.0000 |
0.0000 |
1.7362 |
| F3 |
0.0000 |
0.0000 |
-1.7362 |
Atom - Atom Distances (Å)
| |
Cu1 |
F2 |
F3 |
| Cu1 |
| 1.7362 |
1.7362 |
| F2 |
1.7362 |
| 3.4724 |
| F3 |
1.7362 |
3.4724 |
|
Maximum atom distance is 3.4724Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
Cu1 |
F3 |
180.000 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.