Chemical Components in the PDB

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IRI : Summary

Code

IRI

One-letter code

X

Molecule name

IRIDIUM HEXAMMINE ION

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 hexakis($l^{4}-azanyl)iridium(3+)

Formula

H18 Ir N6

Formal charge

3

Molecular weight

294.4 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N.N.N.N.N.N.[Ir+3]
SMILES OpenEye OEToolkits 2.0.7 [NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]
Canonical SMILES CACTVS 3.385 N.N.N.N.N.N.[Ir+3]
Canonical SMILES OpenEye OEToolkits 2.0.7 [NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]

IUPAC InChI

InChI=1S/Ir.6H3N/h;6*1H3/q+3;;;;;;

IUPAC InChI key

CGMAOQLDNKCXGK-UHFFFAOYSA-N
IRI

wwPDB Information

Atom count

25 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAC

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-02

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned