Formula Unicode styled:
fac–[Re(⭀NBuᵗ)(Ox)([9]aneN₃-κ³N)]⊕
Compound name(s):
t-Butylimido-(oxalato)-(1,4,7-triazacyclononane)-rhenium(1+)
Central atom:
Charge on formula unit (QN):
1+
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:
8
[MLXZ]𝘲 class:
[MX4L4]+
MLXZ class (ENC, equivalent neutral class):
MX5L3
Summary of calculated classifications:
Re«V5C6OVE18B8Z0X4L4»⊕
Geometry:
Isomer label:
𝘥-electron configuration = 𝘮 – VN:
d2
𝘥-electron configuration = 𝘮 – ON:
d2
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d2
Attached atoms:
N4O2
Phase:
InChIKey (see www.inchi-trust.org):
WBQIJQJBEOLMKR-UHFFFAOYSA-L