National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
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XIXIndex of properties
XXH-bond dimers
XXIOddities
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IV.D.4. (XII.A.2.)

Compare Experimental Geometries - experimental data

Species Name
HSSSH trisulfane
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rSS 2.054 1997Lie/Yam:265-270 reI 1 2   
rSS 2.054 1997Lie/Yam:265-270 reI 1 2   
rHS 1.344 1997Lie/Yam:265-270 assumed 1 2   
rHS 1.344 1997Lie/Yam:265-270 assumed 2 4   
aHSS 97.2 1997Lie/Yam:265-270   1 2 4  
aHSS 97.2 1997Lie/Yam:265-270   1 2 4  
aSSS 107.0 1997Lie/Yam:265-270   2 1 3  
aSSS 107.0 1997Lie/Yam:265-270   2 1 3  
dHSSS 87.7 1997Lie/Yam:265-270   2 1 3 5
dHSSS 87.7 1997Lie/Yam:265-270   2 1 3 5
rSS 2.053 1997Lie/Yam:265-270   1 2   
rSS 2.053 1997Lie/Yam:265-270   1 2   
rHS 1.344 1997Lie/Yam:265-270   1 2   
rHS 1.344 1997Lie/Yam:265-270   2 4   
aHSS 97.4 1997Lie/Yam:265-270   1 2 4  
aHSS 97.4 1997Lie/Yam:265-270   1 2 4  
aSSS 106.9 1997Lie/Yam:265-270   2 1 3  
aSSS 106.9 1997Lie/Yam:265-270   2 1 3  
dHSSS 90.8 1997Lie/Yam:265-270   2 1 3 5
dHSSS 90.8 1997Lie/Yam:265-270   2 1 3 5

picture of
References
squibreference
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