mer,trans–[Rh(Cl)₃(NCMe)(PPh₃)₂]

Formula Unicode styled:

Compound name(s):

Trichloro-(perdeuteroacetonitrile)-bis(triphenylphosphine)-rhodium

Central atom:

Rhodium

Charge on formula unit (QN):

Attached groups:

Cl (chloro)

NCMe (acetonitrile)

PPh₃ (triphenylphosphane)

Compound type:

Molecular

DOI link to literature report:

10.1107/S1600536802012254

Crystal data CSD link:

wozyuf

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: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₃L₃]

MLXZ class (ENC, equivalent neutral class):

MX₃L₃

Summary of calculated classifications:

Rh«V³C⁶O^IIIE¹⁸B⁶Z⁰X³L³»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

mer,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:

Cl₃N₁P₂

Phase:

Solid

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

ZTOZKXHBCACZHF-UHFFFAOYSA-K