Formula Unicode styled:
fac–[Fe(SO₃CF₃-κO)₂(OH₂)([9]aneN₃-1,4,7-Me₃-κ³N)]
Compound name(s):
(1,4,7-Trimethyl-1,4,7-triazacyclononane)-aqua-bis(trifluoromethanesulfonato-O)-iron
Central atom:
Charge on formula unit (QN):
0
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:
4
[MLXZ]𝘲 class:
[MX2Z2]
MLXZ class (ENC, equivalent neutral class):
MX2Z2
Summary of calculated classifications:
S«V6C4OIVE8B4L0X2Z2»
Isomer label:
𝘥-electron configuration = 𝘮 – VN:
𝘥-electron configuration = 𝘮 – ON:
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
Attached atoms:
C1O3
Phase:
InChIKey (see www.inchi-trust.org):
GZNLTCPCQPHGKP-UHFFFAOYSA-L
Formula Unicode generic:
fac–[Fe(SO₃CF₃-κO)₂(OH₂)([9]aneN₃-1,4,7-Me₃-κ³N)]