fac–[Mo(CO)₃(Tp*-κ³N)]⊖

Formula Unicode styled:

Compound name(s):

hydro-tris(3,5-dimethylpyrazolyl)-borato-tricarbonyl-molybdenum(1-)

Central atom:

Molybdenum

Charge on formula unit (QN):

1–

Attached groups:

CO (carbonyl)

Tp* (hydrotris(3,5-dimethylpyrazolyl)borato-κ³N)

Compound type:

Molecular

DOI link to literature report:

10.1016/S0022-328X(00)83392-6

Crystal data CSD link:

bedkok

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 0

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (O)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₁L₅]^-

MLXZ class (ENC, equivalent neutral class):

ML₆

Summary of calculated classifications:

Mo«V⁰C⁶O^OE¹⁸B⁶Z⁰X¹L⁵»^⊖

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

fac

𝘥-electron configuration = 𝘮 – VN:

d⁶

𝘥-electron configuration = 𝘮 – ON:

d⁶

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

d⁶

Attached atoms:

C₃N₃

Phase:

Solid

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

UKGAJQYORAHRTF-UHFFFAOYSA-N