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18 10 26 16 45

wB97X-D/SDD for rNS

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-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 NH2SH Thiohydroxylamine0.028
Most positive difference S2N2 Disulfur dinitride0.133

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
NH2SH Thiohydroxylamine 1.719 0.028
FSN Thiazyl fluoride 1.448 0.077
NS Mononitrogen monosulfide 1.497 0.081
S2N2 Disulfur dinitride 1.642 0.133