cis,cis,trans–[Mo{OC(CF₃)₃}₂(O)₂(Dme)]

Formula Unicode styled:

Compound name(s):

(1,2-bis(methoxy)ethane)-{bis-(trifluoromethyl)propan-2-olato}-bis(oxido)-molybdenum

Central atom:

Molybdenum

Charge on formula unit (QN):

Attached groups:

OC(CF₃)₃ (perfluorobutoxy)

(O)₂ (dioxo-cis X₄L Ⓢ)

Dme (dimethoxyethane)

Compound type:

Molecular

DOI link to literature report:

10.1021/jacs.3c02201

Crystal data CSD link:

ginhaq

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: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₆L₃]

MLXZ class (ENC, equivalent neutral class):

MX₆L₃

Summary of calculated classifications:

Mo«V⁶C⁶O^VIE¹⁸B⁹Z⁰X⁶L³»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

cis,cis,trans

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d¹⁰

𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:

d⁰

Attached atoms:

O₆

Phase:

Solid

InChIKey (see www.inchi-trust.org):

FJHKQFIVSYLPSJ-UHFFFAOYSA-N