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Geometry for Ga2H6 (digallane) 1AG D2H

1910171554
InChI=1S/2Ga.6H INChIKey=GFQCQFDOQMRGIQ-UHFFFAOYSA-N

M06-2X/6-311G**


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.3229 0.0000 0.0000   1.3229 0.0000 0.0000
Ga2 -1.3229 0.0000 0.0000   -1.3229 0.0000 0.0000
H3 0.0000 0.0000 1.1769   0.0000 0.0000 1.1769
H4 0.0000 0.0000 -1.1769   0.0000 0.0000 -1.1769
H5 1.9829 1.4188 0.0000   1.9829 1.4188 0.0000
H6 1.9829 -1.4188 0.0000   1.9829 -1.4188 0.0000
H7 -1.9829 1.4188 0.0000   -1.9829 1.4188 0.0000
H8 -1.9829 -1.4188 0.0000   -1.9829 -1.4188 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.6457 1.7706 1.7706 1.5648 1.5648 3.5974 3.5974
Ga2 2.6457 1.7706 1.7706 3.5974 3.5974 1.5648 1.5648
H3 1.7706 1.7706 2.3538 2.7074 2.7074 2.7074 2.7074
H4 1.7706 1.7706 2.3538 2.7074 2.7074 2.7074 2.7074
H5 1.5648 3.5974 2.7074 2.7074 2.8377 3.9658 4.8764
H6 1.5648 3.5974 2.7074 2.7074 2.8377 4.8764 3.9658
H7 3.5974 1.5648 2.7074 2.7074 3.9658 4.8764 2.8377
H8 3.5974 1.5648 2.7074 2.7074 4.8764 3.9658 2.8377
Maximum atom distance is 4.8764Å between atoms H5 and H8.
picture of digallane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Ga1 Ga2 H3 41.658 Ga1 Ga2 H4 41.658
Ga1 Ga2 H7 114.947 Ga1 Ga2 H8 114.947
Ga1 H3 Ga2 96.684 Ga1 H4 Ga2 96.684
Ga2 Ga1 H3 41.658 Ga2 Ga1 H4 41.658
Ga2 Ga1 H5 114.947 Ga2 Ga1 H6 114.947
H3 Ga1 H4 83.316 H3 Ga1 H5 108.368
H3 Ga1 H6 108.368 H3 Ga2 H4 83.316
H3 Ga2 H7 108.368 H3 Ga2 H8 108.368
H4 Ga1 H5 108.368 H4 Ga1 H6 108.368
H4 Ga2 H7 108.368 H4 Ga2 H8 108.368
H5 Ga1 H6 130.106 H7 Ga2 H8 130.106

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.