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Complex #4537 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID4537
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 4}
Abbreviation3
SMILESCCO/C([O-])=C/C(=O)c1cc2cccc(OC)c2oc1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C35H29N4O6Ru/(1-42)(2-50)(3-33)(4-34)(5-31)(6-32)(7-35)(8-36)(9-51)(10-39)(11-47)(12-37)(13-43)(14-59)(15-59)(16-58)(17-58)(18-45)(19-46)(20-38)(21-52)(22-30)(23-30)(24-58)(25-53)(26-44)(27-41)(28-40)(29-30)(30-59)(31-33)(31-54)(32-35)(32-55)(33-34)(34-50)(35-36)(36-51)(37-48)(37-49)(38-39)(38-45)(39-56)(40-41)(40-46)(41-57)(42-44)(42-47)(43-60)(43-64)(44-62)(45-52)(46-53)(47-49)(48-60)(48-63)(49-61)(50-65)(51-66)(52-67)(53-68)(54-57)(54-65)(55-56)(55-66)(56-67)(57-68)(58-73)(59-74)(60-69)(61-62)(61-72)(62-73)(63-71)(63-72)(64-70)(64-74)(65-75)(66-75)(67-75)(68-75)(74-75)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B16-F103.3— 10.1039/d1dt01567b 2021
4T113— 10.1039/d1dt01567b 2021
BHK-2113— 10.1039/d1dt01567b 2021

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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