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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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Geometry for ZnNC (Zinc isocyanide)
2Σ C*V
1910171554
InChI=1S/CN.Zn/c1-2; INChIKey=
B3LYPultrafine/Def2TZVPP
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Zn1 |
0.0000 |
0.0000 |
0.7358 |
| N2 |
0.0000 |
0.0000 |
-1.1567 |
| C3 |
0.0000 |
0.0000 |
-2.3295 |
Atom - Atom Distances (Å)
| |
Zn1 |
N2 |
C3 |
| Zn1 |
| 1.8925 |
3.0653 |
| N2 |
1.8925 |
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1.1728 |
| C3 |
3.0653 |
1.1728 |
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Maximum atom distance is 3.0653Å
between atoms Zn1 and C3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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Zn1 |
N2 |
C3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.