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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 > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
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-0.240 | -0.220 | -0.200 | -0.180 | -0.160 | -0.140 | -0.120 | -0.100 | -0.080 | -0.060 | -0.040 | -0.020 | 0.000 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CI4 | tetraiodomethane | -0.227 |
Most positive difference | ICN | Cyanogen iodide | -0.084 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CI4 | tetraiodomethane | 2.157 | -0.227 |
CH2I2 | Diiodomethane | 2.135 | -0.141 |
CH2ClI | chloroiodomethane | 2.137 | -0.119 |
C2H5I | Ethyl iodide | 2.151 | -0.114 |
CH3I | methyl iodide | 2.136 | -0.108 |
CH2FI | fluoroiodomethane | 2.140 | -0.092 |
ICN | Cyanogen iodide | 1.992 | -0.084 |