trans–[Tc(F)(O₂CCF₃-κO)₄(NO)]⊖

Formula Unicode styled:

Compound name(s):

tetrakis(mu-trifluoroacetato)-(fluoro)-nitrosyl-technetium(1-)

Central atom:

Technetium

Charge on formula unit (QN):

1–

Attached groups:

F (fluoro)

O₂CCF₃ (trifluoroacetato-κO)

NO (nitrosyl, linear)

Compound type:

Molecular

DOI link to literature report:

10.1039/C7DT03084C

Crystal data CSD link:

dehkuz

Crystal data ICSD link:

Valence Number (VN) = 𝘹 + 2𝘻 :

VN: 7

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

CN: 6

Oxidation Number (ON) (Roman numerals):

ON: (III)

Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:

EN: 16

Bond number (BN) = 𝘹 + 𝘭 + 𝘻:

[MLXZ]𝘲 class:

[MX₆L₁Z₁]^-

MLXZ class (ENC, equivalent neutral class):

MX₇L₁

Summary of calculated classifications:

Tc«V⁷C⁶O^IIIE¹⁶B⁸X⁶L¹Z¹»^⊖

Geometry:

6-coordinate: octahedron (OC-6)

Isomer label:

trans

𝘥-electron configuration = 𝘮 – VN:

d⁰

𝘥-electron configuration = 𝘮 – ON:

d⁴

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

d⁰

Attached atoms:

F₁N₁O₄

Phase:

Solid

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

PIKCSAURQBIINE-UHFFFAOYSA-K