Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClF5 | chlorinepentafluoride | 0.060 |
Most positive difference | ClFO3 | Perchloryl fluoride | 0.179 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClF5 | chlorinepentafluoride | 1.650 | 0.060 |
ClF | Chlorine monofluoride | 1.628 | 0.076 |
ClF3 | Chlorine trifluoride | 1.697 | 0.099 |
ClF3 | Chlorine trifluoride | 1.597 | 0.111 |
ClOF3 | Chlorine trifluoride oxide | 1.713 | 0.123 |
ClOF3 | Chlorine trifluoride oxide | 1.603 | 0.156 |
ClFO3 | Perchloryl fluoride | 1.598 | 0.179 |