Formula Unicode styled:
cis–[Ti(NCS-κN)₂(O)([9]aneN₃-κ³N)]
Compound name(s):
(1,4,7-Trimethyl-1,4,7-triazacyclononane)-di-isothiocyanato-oxo-titanium
Central atom:
Charge on formula unit (QN):
0
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:
7
[MLXZ]𝘲 class:
[MX4L3]
MLXZ class (ENC, equivalent neutral class):
MX4L3
Summary of calculated classifications:
Ti«V4C6OIVE14B7Z0X4L3»
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:
N5O1
Phase:
InChIKey (see www.inchi-trust.org):
JHGIBYZYKUSWBQ-UHFFFAOYSA-N