fac–[W(OH)(O)₂([9]aneN₃-1,4,7-Me₃-κ³N)]⊕

Formula Unicode styled:

Compound name(s):

(1,4,7-Trimethyl-triazacyclononane-N,N',N'')-hydroxy-dioxo-tungsten(1+)

Central atom:

Tungsten

Charge on formula unit (QN):

Attached groups:

OH (hydroxo)

O (oxo X₂)

[9]aneN₃-1,4,7-Me₃ (1,4,7-trimethyl-1,4,7-triazacyclononane-κ³N)

Compound type:

Molecular

DOI link to literature report:

10.1002/zaac.19905870119

Crystal data CSD link:

kibyoj

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 6

Coordination Number (CN, sum of attached group denticities):

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (VI)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₅L₃]⁺

MLXZ class (ENC, equivalent neutral class):

MX₆L₂

Summary of calculated classifications:

W«V⁶C⁶O^VIE¹⁶B⁸Z⁰X⁵L³»^⊕

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):

IBUWLVUKBDRRIF-UHFFFAOYSA-N