[S(F)₆]

Formula Unicode styled: 
[S(F)₆]
Compound name(s): 
hexafluoro-sulfur, hexafluoro-sulphur, sulphur hexafluoride
Central atom: 
Charge on formula unit (QN): 
0
Compound type: 
Notes: 

The [SF₆] molecule is octahedral (point group Oh). The S atom has one s and three p orbitals represented as A1g + T1u in this octahedral environment. Each F atom has a single orbital directed towards the S atom and these transform as A1g + T1u + Eg. The Eg combination holds 4 electrons from the 6 orbitals pointed at the S atom and these are non-bonding as there is no Eg combination on S. This leaves just two electrons of the F₆ set available for bonding to the S atom.

The S atom has 6 electrons in the A1g + T1u combination but the 2 F electrons take this count to 8. Overall there are 4 bonds, one of which consists of 2 electrons in an A1g orbital and the other three bonds are represented as T1u. The S atom, in effect, presents as X2L2 to the F A1g + T1u orbitals and uses all 6 valence electrons in the 4 SF bonding orbitals while the F atoms contribute just 2. Overall there are 4 bonds, the S is hexavalent, and the 4 bonds bind all 6 F atoms. The 6 F atoms present as a set, Ⓢ, to the S atom classified as X₂Z₂.

Valence Number (VN) = 𝘹 + 2𝘻 : 
Coordination Number (CN, sum of attached group denticities): 
Oxidation Number (ON) (Roman numerals): 
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
4
[MLXZ]𝘲 class: 
[MX2Z2]
MLXZ class (ENC, equivalent neutral class): 
MX2Z2
Summary of calculated classifications: 
S«V6C6OVIE8B4L0X2Z2»
𝘥-electron configuration = 𝘮 – VN: 
𝘥-electron configuration = 𝘮 – ON: 
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
Attached atoms: 
F6
Phase: 
InChIKey (see www.inchi-trust.org): 
SFZCNBIFKDRMGX-UHFFFAOYSA-N