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

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

PBEPBE/6-31+G**


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 1.7637 0.0000   1.4483 1.0064 0.0000
Si3 -1.5274 -0.8818 0.0000   0.1474 -1.7575 0.0000
Si4 1.5274 -0.8818 0.0000   -1.5958 0.7511 0.0000
H5 -1.4320 2.2090 0.0000   2.6312 0.0846 0.0000
H6 -1.1971 -2.3446 0.0000   -1.2423 -2.3210 0.0000
H7 2.6290 0.1356 0.0000   -1.3889 2.2363 0.0000
H8 0.6873 2.3138 1.2144   1.5079 1.8848 1.2144
H9 0.6873 2.3138 -1.2144   1.5079 1.8848 -1.2144
H10 -2.3475 -0.5617 1.2144   0.8783 -2.2483 1.2144
H11 -2.3475 -0.5617 -1.2144   0.8783 -2.2483 -1.2144
H12 1.6602 -1.7521 1.2144   -2.3862 0.3635 1.2144
H13 1.6602 -1.7521 -1.2144   -2.3862 0.3635 -1.2144
Atom - Atom Distances (Å)
  N1 Si2 Si3 Si4 H5 H6 H7 H8 H9 H10 H11 H12 H13
N1 1.7637 1.7637 1.7637 2.6325 2.6325 2.6325 2.7020 2.7020 2.7020 2.7020 2.7020 2.7020
Si2 1.7637 3.0548 3.0548 1.4996 4.2792 3.0923 1.4999 1.4999 3.5203 3.5203 4.0733 4.0733
Si3 1.7637 3.0548 3.0548 3.0923 1.4996 4.2792 4.0733 4.0733 1.4999 1.4999 3.5203 3.5203
Si4 1.7637 3.0548 3.0548 4.2792 3.0923 1.4996 3.5203 3.5203 4.0733 4.0733 1.4999 1.4999
H5 2.6325 1.4996 3.0923 4.2792 4.5597 4.5597 2.4448 2.4448 3.1607 3.1607 5.1698 5.1698
H6 2.6325 4.2792 1.4996 3.0923 4.5597 4.5597 5.1698 5.1698 2.4448 2.4448 3.1607 3.1607
H7 2.6325 3.0923 4.2792 1.4996 4.5597 4.5597 3.1607 3.1607 5.1698 5.1698 2.4448 2.4448
H8 2.7020 1.4999 4.0733 3.5203 2.4448 5.1698 3.1607 2.4288 4.1807 4.8350 4.1807 4.8350
H9 2.7020 1.4999 4.0733 3.5203 2.4448 5.1698 3.1607 2.4288 4.8350 4.1807 4.8350 4.1807
H10 2.7020 3.5203 1.4999 4.0733 3.1607 2.4448 5.1698 4.1807 4.8350 2.4288 4.1807 4.8350
H11 2.7020 3.5203 1.4999 4.0733 3.1607 2.4448 5.1698 4.8350 4.1807 2.4288 4.8350 4.1807
H12 2.7020 4.0733 3.5203 1.4999 5.1698 3.1607 2.4448 4.1807 4.8350 4.1807 4.8350 2.4288
H13 2.7020 4.0733 3.5203 1.4999 5.1698 3.1607 2.4448 4.8350 4.1807 4.8350 4.1807 2.4288
Maximum atom distance is 5.1698Å 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 107.275 N1 Si2 H8 111.516
N1 Si2 H9 111.516 N1 Si3 H6 107.275
N1 Si3 H10 111.516 N1 Si3 H11 111.516
N1 Si4 H7 107.275 N1 Si4 H12 111.516
N1 Si4 H13 111.516 H5 Si2 H8 109.186
H5 Si2 H9 109.186 H6 Si3 H10 109.186
H6 Si3 H11 109.186 H7 Si4 H12 109.186
H7 Si4 H13 109.186 H8 Si2 H9 108.122
H10 Si3 H11 108.122 H12 Si4 H13 108.122

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