trans–[Cr(NCS-κN)(μ₂-O₂CMe)₂]₂²⊖

Formula Unicode styled:

Compound name(s):

bis-[bis-(μ₂-propionato)-(isothiocyanato)-chromium(Cr≣Cr)(1-)]

Central atom:

Chromium

Charge on formula unit (QN):

1–

Attached groups:

NCS (isothiocyanato-κN)

O₂CMe (μ₂-acetato)

Compound type:

Oligomer

DOI link to literature report:

10.1016/S0277-5387(00)84393-4

Crystal data CSD link:

cefmab

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: (II)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₇L₂]^-

MLXZ class (ENC, equivalent neutral class):

MX₆L₃

Summary of calculated classifications:

Cr«V⁶C⁶O^IIE¹⁸B⁹Z⁰X⁷L²»^⊖

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d⁴

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

d⁰

Attached atoms:

Cr₁N₁O₄

Phase:

Solid

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

JIKNIPQXOIXXPJ-UHFFFAOYSA-J