fac–[Ru(NH₃)₃(OH₂)(Acac-κO)]⊕

Formula Unicode styled:

Compound name(s):

Aqua-triammine-(pentane-2,4-dionato-O,O')-ruthenium(1+)

Central atom:

Ruthenium

Charge on formula unit (QN):

Attached groups:

NH₃ (ammine)

OH₂ (aqua)

Acac (acetylacetonato-κO)

Compound type:

Molecular

DOI link to literature report:

10.1071/CH9881251

Crystal data CSD link:

gokbir

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 2

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

CN: 5

Oxidation Number (ON) (Roman numerals):

ON: (II)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₁L₄]⁺

MLXZ class (ENC, equivalent neutral class):

MX₂L₃

Summary of calculated classifications:

Ru«V²C⁵O^IIE¹⁶B⁵Z⁰X¹L⁴»^⊕

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:

N₃O₂

Phase:

Solid

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

LSZZNVYJQNGTDW-WWTNOJLKSA-M