[Ta(NMe₂)₄(Tp-κ²N)]

Formula Unicode styled:

[Ta(NMe₂)₄(Tp-κ²N)]

Compound name(s):

tetrakis(dimethylamino)-(hydrogen tris(1H-pyrazol-1-yl)borate)-tantalum

Central atom:

Tantalum

Charge on formula unit (QN):

Attached groups:

NMe₂ (dimethylamino: planar)

Tp (hydrotris(pyrazolyl)borato-κ²N)

Compound type:

Molecular

Notes:

At first sight the electron count, EN, is 20 (the NMe₂ groups are all planar) but this is reduced to 18 for symmetry reasons relating to orbital availability.

DOI link to literature report:

10.1007/s11426-009-0236-3

Crystal data CSD link:

kagpal

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 5

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (V)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₅L₄]

MLXZ class (ENC, equivalent neutral class):

MX₅L₄

Summary of calculated classifications:

Ta«V⁵C⁶O^VE¹⁸B⁹Z⁰X⁵L⁴»

Geometry:

6-coordinate: octahedron (OC-6)

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d¹⁰

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

d⁰

Attached atoms:

N₆

Phase:

Solid

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

OTHXHOVEHCARFU-UHFFFAOYSA-N