fac–[Tc(O)₃([9]aneN₃-κ³N)]⊕

Formula Unicode styled: 
fac–[Tc(O)₃([9]aneN₃-κ³N)]⊕
Compound name(s): 
(1,4,7-Triazacyclononane-N,N',N'')-trioxo-technetium(1+)
Central atom: 
Technetium
Charge on formula unit (QN): 
1+
Attached groups: 
O (oxo X₂)
[9]aneN₃ (1,4,7-triazacyclononane-κ³N)
Compound type: 
Molecular
DOI link to literature report: 
10.1021/ic060569m
Crystal data CSD link: 
nenziq
Crystal data ICSD link: 
Valence Number (VN) = 𝘹 + 2𝘻 : 
VN: 7
Coordination Number (CN, sum of attached group denticities): 
CN: 6
Oxidation Number (ON) (Roman numerals): 
ON: (VII)
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭: 
EN: 18
Bond number (BN) = 𝘹 + 𝘭 + 𝘻: 
9
[MLXZ]𝘲 class: 
[MX6L3]+
MLXZ class (ENC, equivalent neutral class): 
MX7L2
Summary of calculated classifications: 
Tc«V7C6OVIIE18B9Z0X6L3»⊕
Geometry: 
6-coordinate: octahedron (OC-6)
Isomer label: 
fac
𝘥-electron configuration = 𝘮 – VN: 
d0
𝘥-electron configuration = 𝘮 – ON: 
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲: 
d0
Attached atoms: 
N3O3
Phase: 
Solid
InChIKey (see www.inchi-trust.org): 
HZTVVKRFUGOTJF-UHFFFAOYSA-N