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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 N(SiH3)3 (trisilylamine)
1A' C3H
1910171554
InChI=1S/H9NSi3/c2-1(3)4/h2-4H3 INChIKey=
B1B95/cc-pVTZ
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 |
1.7388 |
0.0000 |
|
1.7367 |
0.0856 |
0.0000 |
Si3 |
-1.5059 |
-0.8694 |
0.0000 |
|
-0.7942 |
-1.5468 |
0.0000 |
Si4 |
1.5059 |
-0.8694 |
0.0000 |
|
-0.9425 |
1.4612 |
0.0000 |
H5 |
-1.4184 |
2.1762 |
0.0000 |
|
2.2434 |
-1.3096 |
0.0000 |
H6 |
-1.1755 |
-2.3165 |
0.0000 |
|
-2.2558 |
-1.2881 |
0.0000 |
H7 |
2.5939 |
0.1403 |
0.0000 |
|
0.0124 |
2.5976 |
0.0000 |
H8 |
0.6801 |
2.2818 |
1.2013 |
|
2.2456 |
0.7916 |
1.2013 |
H9 |
0.6801 |
2.2818 |
-1.2013 |
|
2.2456 |
0.7916 |
-1.2013 |
H10 |
-2.3161 |
-0.5519 |
1.2013 |
|
-0.4373 |
-2.3405 |
1.2013 |
H11 |
-2.3161 |
-0.5519 |
-1.2013 |
|
-0.4373 |
-2.3405 |
-1.2013 |
H12 |
1.6361 |
-1.7299 |
1.2013 |
|
-1.8083 |
1.5489 |
1.2013 |
H13 |
1.6361 |
-1.7299 |
-1.2013 |
|
-1.8083 |
1.5489 |
-1.2013 |
Atom - Atom Distances (Å)
|
N1 |
Si2 |
Si3 |
Si4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
N1 |
| 1.7388 |
1.7388 |
1.7388 |
2.5977 |
2.5977 |
2.5977 |
2.6669 |
2.6669 |
2.6669 |
2.6669 |
2.6669 |
2.6669 |
Si2 |
1.7388 |
| 3.0117 |
3.0117 |
1.4843 |
4.2222 |
3.0469 |
1.4834 |
1.4834 |
3.4721 |
3.4721 |
4.0189 |
4.0189 |
Si3 |
1.7388 |
3.0117 |
| 3.0117 |
3.0469 |
1.4843 |
4.2222 |
4.0189 |
4.0189 |
1.4834 |
1.4834 |
3.4721 |
3.4721 |
Si4 |
1.7388 |
3.0117 |
3.0117 |
| 4.2222 |
3.0469 |
1.4843 |
3.4721 |
3.4721 |
4.0189 |
4.0189 |
1.4834 |
1.4834 |
H5 |
2.5977 |
1.4843 |
3.0469 |
4.2222 |
| 4.4993 |
4.4993 |
2.4203 |
2.4203 |
3.1132 |
3.1132 |
5.1020 |
5.1020 |
H6 |
2.5977 |
4.2222 |
1.4843 |
3.0469 |
4.4993 |
| 4.4993 |
5.1020 |
5.1020 |
2.4203 |
2.4203 |
3.1132 |
3.1132 |
H7 |
2.5977 |
3.0469 |
4.2222 |
1.4843 |
4.4993 |
4.4993 |
| 3.1132 |
3.1132 |
5.1020 |
5.1020 |
2.4203 |
2.4203 |
H8 |
2.6669 |
1.4834 |
4.0189 |
3.4721 |
2.4203 |
5.1020 |
3.1132 |
| 2.4026 |
4.1240 |
4.7728 |
4.1240 |
4.7728 |
H9 |
2.6669 |
1.4834 |
4.0189 |
3.4721 |
2.4203 |
5.1020 |
3.1132 |
2.4026 |
| 4.7728 |
4.1240 |
4.7728 |
4.1240 |
H10 |
2.6669 |
3.4721 |
1.4834 |
4.0189 |
3.1132 |
2.4203 |
5.1020 |
4.1240 |
4.7728 |
| 2.4026 |
4.1240 |
4.7728 |
H11 |
2.6669 |
3.4721 |
1.4834 |
4.0189 |
3.1132 |
2.4203 |
5.1020 |
4.7728 |
4.1240 |
2.4026 |
| 4.7728 |
4.1240 |
H12 |
2.6669 |
4.0189 |
3.4721 |
1.4834 |
5.1020 |
3.1132 |
2.4203 |
4.1240 |
4.7728 |
4.1240 |
4.7728 |
| 2.4026 |
H13 |
2.6669 |
4.0189 |
3.4721 |
1.4834 |
5.1020 |
3.1132 |
2.4203 |
4.7728 |
4.1240 |
4.7728 |
4.1240 |
2.4026 |
|
Maximum atom distance is 5.1020Å
between atoms H5 and H12.
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 |
107.139 |
|
N1 |
Si2 |
H8 |
111.471 |
N1 |
Si2 |
H9 |
111.471 |
|
N1 |
Si3 |
H6 |
107.139 |
N1 |
Si3 |
H10 |
111.471 |
|
N1 |
Si3 |
H11 |
111.471 |
N1 |
Si4 |
H7 |
107.139 |
|
N1 |
Si4 |
H12 |
111.471 |
N1 |
Si4 |
H13 |
111.471 |
|
H5 |
Si2 |
H8 |
109.283 |
H5 |
Si2 |
H9 |
109.283 |
|
H6 |
Si3 |
H10 |
109.283 |
H6 |
Si3 |
H11 |
109.283 |
|
H7 |
Si4 |
H12 |
109.283 |
H7 |
Si4 |
H13 |
109.283 |
|
H8 |
Si2 |
H9 |
108.160 |
H10 |
Si3 |
H11 |
108.160 |
|
H12 |
Si4 |
H13 |
108.160 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.