cis,cis,trans–[Cr(F)(Acac)([9]aneN₃-1,4,7-Me₃-κ³N)]⊕

Formula Unicode styled:

Compound name(s):

Fluoro-(pentane-2,4-dionato)-(1,4,7-trimethyl-1,4,7-triazacyclononane)-chromium(1+)

Central atom:

Chromium

Charge on formula unit (QN):

Attached groups:

F (fluoro)

Acac (acetylacetonato)

[9]aneN₃-1,4,7-Me₃ (1,4,7-trimethyl-1,4,7-triazacyclononane-κ³N)

Compound type:

Molecular

DOI link to literature report:

10.1039/DT9940002041

Crystal data CSD link:

leysen

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 3

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (III)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 15

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₂L₄]⁺

MLXZ class (ENC, equivalent neutral class):

MX₃L₃

Summary of calculated classifications:

Cr«V³C⁶O^IIIE¹⁵B⁶Z⁰X²L⁴»^⊕

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

cis,cis,trans

𝘥-electron configuration = 𝘮 – VN:

d³

𝘥-electron configuration = 𝘮 – ON:

d³

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

d³

Attached atoms:

F₁N₃O₂

Phase:

Solid

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

FOOYERPBFXONHW-UHFFFAOYSA-M