Formula Unicode styled:
fac–[Ti(Br)₃([6]aneN₃-1,3,5-Me₃-κ³N)]⊕
Compound name(s):
Tribromo-(1,4,7-trimethyl-1,4,7-triazacyclononane)-titanium(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:
6
[MLXZ]𝘲 class:
[MX3L3]+
MLXZ class (ENC, equivalent neutral class):
MX4L2
Summary of calculated classifications:
Ti«V4C6OIVE12B6Z0X3L3»⊕
Geometry:
Isomer label:
𝘥-electron configuration = 𝘮 – VN:
d0
𝘥-electron configuration = 𝘮 – ON:
d10
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d0
Attached atoms:
Br3N3
Phase:
InChIKey (see www.inchi-trust.org):
JCDBWHWHHINCPU-UHFFFAOYSA-K