mer–[Cr(CNBuᵗ)₃(NO)(Dppm-κ²P)]⊕

Formula Unicode styled:

Compound name(s):

(bis(Diphenylphosphino)-methane-P,P')-nitrosyl-tris(t-butyl-isocyanide)-chromium(1+)

Central atom:

Chromium

Charge on formula unit (QN):

Attached groups:

CNBuᵗ (t-butyl isocyanide)

NO (nitrosyl, linear)

Dppm (bis-(diphenylphosphino)methane-κ²P)

Compound type:

Molecular

DOI link to literature report:

10.1021/ic00200a024

Crystal data CSD link:

dagnoo

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 4

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (O)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₁L₆Z₁]⁺

MLXZ class (ENC, equivalent neutral class):

MX₄L₄

Summary of calculated classifications:

Cr«V⁴C⁶O^OE¹⁸B⁸X¹L⁶Z¹»^⊕

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

mer

𝘥-electron configuration = 𝘮 – VN:

d²

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d²

Attached atoms:

C₃N₁P₂

Phase:

Solid

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

NVZXKVRFYGDHBJ-UHFFFAOYSA-N