Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries |
A | B | C |
---|---|---|
0.47029 | 0.09174 | 0.07911 |
0.47043 | 0.09182 | 0.07918 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rSS | 2.054 | 1 | 2 | 1997Lie/Yam:265-270 | reI | ||
rHS | 1.344 | 1 | 2 | 1997Lie/Yam:265-270 | assumed | ||
aHSS | 97.2 | 1 | 2 | 4 | 1997Lie/Yam:265-270 | ||
aSSS | 107.02 | 2 | 1 | 3 | 1997Lie/Yam:265-270 | ||
dHSSS | 87.7 | 2 | 1 | 3 | 5 | 1997Lie/Yam:265-270 | |
rSS | 2.053 | 1 | 2 | 1997Lie/Yam:265-270 | |||
rHS | 1.344 | 2 | 4 | 1997Lie/Yam:265-270 | |||
aHSS | 97.37 | 1 | 2 | 4 | 1997Lie/Yam:265-270 | ||
aSSS | 106.919 | 2 | 1 | 3 | 1997Lie/Yam:265-270 | ||
dHSSS | 90.82 | 2 | 1 | 3 | 5 | 1997Lie/Yam:265-270 |
Bond Type | Count |
---|---|
H-S | 2 |
S-S | 2 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
S1 | 0.0000 | 0.0000 | 0.8363 |
S2 | 0.0000 | 1.6513 | -0.3851 |
S3 | 0.0000 | -1.6513 | -0.3851 |
H4 | -1.3318 | 1.7548 | -0.5283 |
H5 | 1.3318 | -1.7548 | -0.5283 |
S1 | -0.0533 | 0.8347 | 0.0000 |
S2 | -0.0533 | -0.3877 | 1.6495 |
S3 | -0.0533 | -0.3877 | -1.6495 |
H4 | 1.2790 | -0.4749 | 1.7993 |
H5 | 1.2790 | -0.4749 | -1.7993 |
S1 | S2 | S3 | H4 | H5 | S6 | S7 | S8 | H9 | H10 | |
---|---|---|---|---|---|---|---|---|---|---|
S1 | 2.0539 | 2.0539 | 2.5914 | 2.5914 | 1.1828 | 0.9024 | 2.5164 | 1.6699 | 2.9677 | |
S2 | 2.0539 | 3.3025 | 1.3435 | 3.6600 | 0.9044 | 2.8809 | 2.3997 | 3.3058 | 2.8559 | |
S3 | 2.0539 | 3.3025 | 3.6600 | 1.3435 | 2.5162 | 2.3956 | 1.7883 | 2.7913 | 2.2404 | |
H4 | 2.5914 | 1.3435 | 3.6600 | 4.4060 | 1.6614 | 3.3117 | 2.7353 | 4.1480 | 3.6611 | |
H5 | 2.5914 | 3.6600 | 1.3435 | 4.4060 | 2.9838 | 2.9206 | 2.2461 | 2.6567 | 1.8045 | |
S6 | 1.1828 | 0.9044 | 2.5162 | 1.6614 | 2.9838 | 2.0530 | 2.0530 | 2.5937 | 2.5937 | |
S7 | 0.9024 | 2.8809 | 2.3956 | 3.3117 | 2.9206 | 2.0530 | 3.2989 | 1.3435 | 3.6981 | |
S8 | 2.5164 | 2.3997 | 1.7883 | 2.7353 | 2.2461 | 2.0530 | 3.2989 | 3.6981 | 1.3435 | |
H9 | 1.6699 | 3.3058 | 2.7913 | 4.1480 | 2.6567 | 2.5937 | 1.3435 | 3.6981 | 3.5985 | |
H10 | 2.9677 | 2.8559 | 2.2404 | 3.6611 | 1.8045 | 2.5937 | 3.6981 | 1.3435 | 3.5985 |
squib | reference | DOI |
---|---|---|
1997Lie/Yam:265-270 | M Liedtke, KMT Yamada, G Winnewisser, J Hahn "Molecular structure of cis- and trans-H2S3" J. Mol. Struct. 413-414 (I 997) 265-270 | 10.1016/S0022-2860(97)00030-6 |
Got a better number? Please email us at
cccbdb@nist.gov
Browse | |
---|---|
Previous | Next |