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Complex #4858 — Ir(3) [Ir2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID4858
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 2}
AbbreviationIr2a
SMILESCc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccccc1)c1cc(C(F)(F)F)ccn1.[Cl-]

TUCAN

C23H23F3IrN2O/(1-24)(2-24)(3-24)(4-25)(5-25)(6-25)(7-26)(8-30)(9-32)(10-31)(11-33)(12-42)(13-35)(14-29)(15-34)(16-26)(17-26)(18-27)(19-27)(20-27)(21-28)(22-28)(23-28)(24-37)(25-38)(26-39)(27-40)(28-41)(29-36)(29-44)(30-31)(30-43)(31-34)(32-33)(32-43)(33-34)(35-36)(35-42)(36-46)(37-38)(37-39)(38-40)(39-41)(40-41)(42-48)(43-47)(44-45)(44-48)(45-47)(45-49)(46-50)(46-51)(46-52)(47-53)(48-53)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NIH-3T331— 10.1016/j.jinorgbio.2022.11187... 2022

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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