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- ChemComp-2T8: carbonyl(tetrachloro)oxidoiridium -

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Basic information

EntryDatabase: PDB chemical components / ID: 2T8
NameName: carbonyl(tetrachloro)oxidoiridium

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Chemical information

Composition
Formula: CCl4IrO2 / Number of atoms: 8 / Formula weight: 378.038 / Formal charge: 0
Others

4n9r

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2T8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4N9R
History
Create componentJan 27, 2014
Initial releaseSep 17, 2014
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01[O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+]
CACTVS 3.385[O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+]
OpenEye OEToolkits 1.7.6C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl

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SMILES CANONICAL

CACTVS 3.385[O-][Ir](Cl)(Cl)(Cl)(Cl)C#[O+]
OpenEye OEToolkits 1.7.6C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl

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InChI

InChI 1.03InChI=1S/CO.4ClH.Ir.O/c1-2;;;;;;/h;4*1H;;/q+1;;;;;+4;-1/p-4

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InChIKey

InChI 1.03OTOHNVZCVDSLDT-UHFFFAOYSA-J

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SYSTEMATIC NAME

ACDLabs 12.01carbonyl(tetrachloro)oxidoiridium
OpenEye OEToolkits 1.7.6tetrakis(chloranyl)-oxidanidyl-(oxidaniumylidynemethyl)iridium

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PDB entries

Showing all 6 items

PDB-4n9r:
X-ray structure of the complex between hen egg white lysozyme and pentacholrocarbonyliridate(III) (1 day)

PDB-4nhp:
X-ray structure of the complex between the hen egg white lysozyme and pentachlorocarbonyliridate (III) (4 days)

PDB-4nhq:
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days)

PDB-4nhs:
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days)

PDB-4nht:
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days)

PDB-4nij:
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days)

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