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 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClF5 | chlorinepentafluoride | -0.024 |
Most positive difference | ClFO3 | Perchloryl fluoride | 0.067 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClF5 | chlorinepentafluoride | 1.650 | -0.024 |
ClF | Chlorine monofluoride | 1.628 | 0.018 |
ClOF3 | Chlorine trifluoride oxide | 1.713 | 0.018 |
ClF3 | Chlorine trifluoride | 1.697 | 0.026 |
ClF3 | Chlorine trifluoride | 1.597 | 0.034 |
ClOF3 | Chlorine trifluoride oxide | 1.603 | 0.045 |
ClFO3 | Perchloryl fluoride | 1.598 | 0.067 |