trans,trans,trans–[Fe(I)(Me)(CO)₂(PMe₃)₂]

Formula Unicode styled:

Compound name(s):

Dicarbonyl-iodo-methyl-trans-bis(trimethylphosphine)-iron

Central atom:

Iron

Charge on formula unit (QN):

Attached groups:

I (iodo)

Me (methyl)

CO (carbonyl)

PMe₃ (trimethylphosphane)

Compound type:

Molecular

DOI link to literature report:

10.1016/S0022-328X(96)06878-7

Crystal data CSD link:

nesviq

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 2

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:

[MX₂L₄]

MLXZ class (ENC, equivalent neutral class):

MX₂L₄

Summary of calculated classifications:

Fe«V²C⁶O^IIE¹⁸B⁶Z⁰X²L⁴»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

trans,trans,trans

𝘥-electron configuration = 𝘮 – VN:

d⁶

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d⁶

Attached atoms:

C₃I₁P₂

Phase:

Solid

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

LRPQMXVLGPBCKZ-UHFFFAOYSA-M