Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.100 | 0.000 | 0.100 | 0.200 | 0.300 | 0.400 | 0.500 | 0.600 | 0.700 | 0.800 | 0.900 | 1.000 | 1.100 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClF | Chlorine monofluoride | 0.129 |
Most positive difference | ClOF3 | Chlorine trifluoride oxide | 0.971 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClF | Chlorine monofluoride | 1.628 | 0.129 |
ClF5 | chlorinepentafluoride | 1.650 | 0.147 |
ClF3 | Chlorine trifluoride | 1.697 | 0.163 |
ClF3 | Chlorine trifluoride | 1.597 | 0.173 |
ClOF3 | Chlorine trifluoride oxide | 1.713 | 0.260 |
ClOF3 | Chlorine trifluoride oxide | 1.603 | 0.971 |