fac–[Mo(I)₃(PMe₃)(Dppe-κ²P)]

Formula Unicode styled:

Compound name(s):

Tri-iodo-(1,2-bis(diphenylphosphino)ethane-P,P')-trimethylphosphine-molybdenum

Central atom:

Molybdenum

Charge on formula unit (QN):

Attached groups:

I (iodo)

PMe₃ (trimethylphosphane)

Dppe (1,2-bis-(diphenylphosphino)ethane-κ²P)

Compound type:

Molecular

DOI link to literature report:

10.1021/ic00307a008

Crystal data CSD link:

valloj

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 3

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (III)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 15

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₃L₃]

MLXZ class (ENC, equivalent neutral class):

MX₃L₃

Summary of calculated classifications:

Mo«V³C⁶O^IIIE¹⁵B⁶Z⁰X³L³»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

fac

𝘥-electron configuration = 𝘮 – VN:

d³

𝘥-electron configuration = 𝘮 – ON:

d³

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

d³

Attached atoms:

I₃P₃

Phase:

Solid

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

WFHZJDPKXGDPQZ-UHFFFAOYSA-K