Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
CCD/6-31+G**
25 | |||||||||||||||||||||||||||||||
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.622 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF5+ | pentafluoro sulfur cation | 1.527 |
Highest value | SF2- | sulfur difluoride anion | 1.865 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.755 | 1 | 2 |
SF | Monosulfur monofluoride | 1.639 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.543 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.865 | 1 | 2 |
1.865 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.628 | 1 | 2 |
1.628 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.704 | 1 | 3 |
SFCl | Sulfur chloride fluoride | 1.644 | 1 | 2 |
F2SO | Thionyl Fluoride | 1.625 | 1 | 3 |
1.625 | 1 | 4 | ||
FSSF | Difluorodisulfane | 1.665 | 1 | 3 |
1.665 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.648 | 1 | 3 |
1.648 | 1 | 4 | ||
SF3 | Sulfur trifluoride | 1.600 | 1 | 2 |
1.686 | 1 | 3 | ||
1.686 | 1 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.577 | 1 | 4 |
1.577 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.674 | 1 | 2 |
1.674 | 1 | 3 | ||
1.582 | 1 | 4 | ||
1.582 | 1 | 5 | ||
SF5 | Sulfur pentafluoride | 1.575 | 1 | 2 |
1.627 | 1 | 3 | ||
1.627 | 1 | 4 | ||
1.627 | 1 | 5 | ||
1.627 | 1 | 6 | ||
SF5+ | pentafluoro sulfur cation | 1.557 | 1 | 2 |
1.527 | 1 | 3 | ||
1.527 | 1 | 4 | ||
1.527 | 1 | 5 | ||
1.557 | 1 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.626 | 1 | 3 |
1.626 | 1 | 4 | ||
1.578 | 1 | 5 | ||
1.578 | 1 | 6 | ||
SF6 | Sulfur Hexafluoride | 1.593 | 1 | 2 |
1.593 | 1 | 3 | ||
1.593 | 1 | 4 | ||
1.593 | 1 | 5 | ||
1.593 | 1 | 6 | ||
1.593 | 1 | 7 | ||
SF5Cl | sulfur chloropentafluoride | 1.603 | 1 | 3 |
1.603 | 1 | 4 | ||
1.603 | 1 | 5 | ||
1.603 | 1 | 6 | ||
1.599 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.611 | 1 | 8 |
1.608 | 1 | 9 | ||
1.598 | 1 | 10 |