fac–[Ru(NCMe)(TMEDA-κ²N)(Tp-κ³N)]⊕

Formula Unicode styled:

Compound name(s):

Acetonitrile-(hydrogen tris(pyrazol-1-yl)borate)-(tetramethylethylenediamine)-ruthenium(1+)

Central atom:

Ruthenium

Charge on formula unit (QN):

Attached groups:

NCMe (acetonitrile)

TMEDA (tetramethylethylenediamine-κ²N)

Tp (hydrotris(pyrazolyl)borato-κ³N)

Compound type:

Molecular

DOI link to literature report:

10.1021/om960223r

Crystal data CSD link:

torjep

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 2

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (II)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 18

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₁L₅]⁺

MLXZ class (ENC, equivalent neutral class):

MX₂L₄

Summary of calculated classifications:

Ru«V²C⁶O^IIE¹⁸B⁶Z⁰X¹L⁵»^⊕

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:

N₆

Phase:

Solid

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

PUQUYXAVBFMOAV-UHFFFAOYNA-N