mer,trans–[Nb(Cl)₂(OC₆H₃Prⁱ₂-2,6)₂(PMe₂Ph)₂]

Formula Unicode styled:

Compound name(s):

tris(2,6-Di-isopropylphenoxy)-(dimethylphenylphosphine)-dichloro-niobium

Central atom:

Niobium

Charge on formula unit (QN):

Attached groups:

Cl (chloro)

OC₆H₃Prⁱ₂-2,6 (di-isopropylphenoxy-2,6)

PMe₂Ph (dimethylphenylphosphane)

Compound type:

Molecular

DOI link to literature report:

10.1021/ic970331l

Crystal data CSD link:

rikfew

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: (IV)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 13

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₄L₂]

MLXZ class (ENC, equivalent neutral class):

MX₄L₂

Summary of calculated classifications:

Nb«V⁴C⁶O^IVE¹³B⁶Z⁰X⁴L²»

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

mer,trans

𝘥-electron configuration = 𝘮 – VN:

d¹

𝘥-electron configuration = 𝘮 – ON:

d¹

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

d¹

Attached atoms:

Cl₂O₂P₂

Phase:

Solid

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

KHUMSWCCGTXZAK-UHFFFAOYSA-I