Formula Unicode styled:
[Ba(NCS-κN)(OH₂)(2,2,2-cryptand-κ⁶O,κ²N)]⊕
Compound name(s):
Aqua-thiocyanato-crypt(222)-barium(1+)
Central atom:
Charge on formula unit (QN):
1+
Attached groups:
Compound type:
DOI link to literature report:
Crystal data CSD link:
Crystal data ICSD link:
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:
3
[MLXZ]𝘲 class:
[MX3]
MLXZ class (ENC, equivalent neutral class):
MX3
Summary of calculated classifications:
N«V3C2O-IIIE8B3Z0L0X3»
Geometry:
𝘥-electron configuration = 𝘮 – VN:
𝘥-electron configuration = 𝘮 – ON:
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
Attached atoms:
C1Ba1
Phase:
InChIKey (see www.inchi-trust.org):
DSAJWYNOEDNPEQ-UHFFFAOYSA-N
Formula Unicode generic:
[Ba(NCS-κN)(OH₂)(2,2,2-cryptand-κ⁶O,κ²N)]⊕