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Geometry for N(SiH3)3 (trisilylamine) 1A' C3H

1910171554
InChI=1S/H9NSi3/c2-1(3)4/h2-4H3 INChIKey=

HF/6-311+G(3df,2p)


Point group is C3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
Si2 0.0000 1.7303 0.0000   1.5506 0.7679 0.0000
Si3 -1.4985 -0.8652 0.0000   -0.1102 -1.7268 0.0000
Si4 1.4985 -0.8652 0.0000   -1.4403 0.9588 0.0000
H5 -1.4057 2.1817 0.0000   2.5789 -0.2914 0.0000
H6 -1.1865 -2.3082 0.0000   -1.5418 -2.0877 0.0000
H7 2.5922 0.1266 0.0000   -1.0371 2.3791 0.0000
H8 0.6782 2.2706 1.1938   1.7337 1.6155 1.1938
H9 0.6782 2.2706 -1.1938   1.7337 1.6155 -1.1938
H10 -2.3055 -0.5479 1.1938   0.5322 -2.3092 1.1938
H11 -2.3055 -0.5479 -1.1938   0.5322 -2.3092 -1.1938
H12 1.6273 -1.7227 1.1938   -2.2659 0.6937 1.1938
H13 1.6273 -1.7227 -1.1938   -2.2659 0.6937 -1.1938
Atom - Atom Distances (Å)
  N1 Si2 Si3 Si4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.7303 1.7303 1.7303 2.5953 2.5953 2.5953 2.6534 2.6534 2.6534 2.6534 2.6534 2.6534
Si2 1.7303 2.9970 2.9970 1.4764 4.2092 3.0482 1.4755 1.4755 3.4541 3.4541 3.9995 3.9995
Si3 1.7303 2.9970 2.9970 3.0482 1.4764 4.2092 3.9995 3.9995 1.4755 1.4755 3.4541 3.4541
Si4 1.7303 2.9970 2.9970 4.2092 3.0482 1.4764 3.4541 3.4541 3.9995 3.9995 1.4755 1.4755
H5 2.5953 1.4764 3.0482 4.2092 4.4952 4.4952 2.4033 2.4033 3.1121 3.1121 5.0861 5.0861
H6 2.5953 4.2092 1.4764 3.0482 4.4952 4.4952 5.0861 5.0861 2.4033 2.4033 3.1121 3.1121
H7 2.5953 3.0482 4.2092 1.4764 4.4952 4.4952 3.1121 3.1121 5.0861 5.0861 2.4033 2.4033
H8 2.6534 1.4755 3.9995 3.4541 2.4033 5.0861 3.1121 2.3876 4.1045 4.7484 4.1045 4.7484
H9 2.6534 1.4755 3.9995 3.4541 2.4033 5.0861 3.1121 2.3876 4.7484 4.1045 4.7484 4.1045
H10 2.6534 3.4541 1.4755 3.9995 3.1121 2.4033 5.0861 4.1045 4.7484 2.3876 4.1045 4.7484
H11 2.6534 3.4541 1.4755 3.9995 3.1121 2.4033 5.0861 4.7484 4.1045 2.3876 4.7484 4.1045
H12 2.6534 3.9995 3.4541 1.4755 5.0861 3.1121 2.4033 4.1045 4.7484 4.1045 4.7484 2.3876
H13 2.6534 3.9995 3.4541 1.4755 5.0861 3.1121 2.4033 4.7484 4.1045 4.7484 4.1045 2.3876
Maximum atom distance is 5.0861Å between atoms H5 and H12.
picture of trisilylamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si2 N1 Si3 120.000 Si2 N1 Si4 120.000
Si3 N1 Si4 120.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 Si2 H5 107.800 N1 Si2 H8 111.479
N1 Si2 H9 111.479 N1 Si3 H6 107.800
N1 Si3 H10 111.479 N1 Si3 H11 111.479
N1 Si4 H7 107.800 N1 Si4 H12 111.479
N1 Si4 H13 111.479 H5 Si2 H8 109.010
H5 Si2 H9 109.010 H6 Si3 H10 109.010
H6 Si3 H11 109.010 H7 Si4 H12 109.010
H7 Si4 H13 109.010 H8 Si2 H9 108.013
H10 Si3 H11 108.013 H12 Si4 H13 108.013

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