λ2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) bis(chlorogold)

• ChemBase ID: 143505
• Molecular Formular: C34H28Au2Cl2FeP2
• Molecular Mass: 1019.217742
• Monoisotopic Mass: 1017.97240302
• SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.Cl[Au].Cl[Au].[Fe+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.Cl[Au].Cl[Au].[Fe+2]
• InChI: InChI=1S/2C17H14P.2Au.2ClH.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;/h2*1-14H;;;2*1H;/q2*-1;2*+1;;;+2/p-2
• InChIKey: ZIKZUJZWYWYNGL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) bis(chlorogold)
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) bis(gold chloride)
• Synonyms: [μ-Ferrocene-1,1′-diylbis(diphenylphosphine-κP)]bis[chlorogold(I)]; Bis(chlorogold(I)) [1,1′-bis(diphenylphosphino)ferrocene]

Database IDs

• CAS Number: 122092-51-7
• MDL Number: MFCD18252681
• PubChem SID: 162237724
• PubChem CID: 71310967

CALCULATED PROPERTIES

• Acid pKa: 13.124334
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7805
• LogD (pH = 7.4): 3.7804992
• Log P: 5.308
• Molar Refractivity: 77.2799 cm^3
• Polarizability: 30.728716 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 223-229 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C34H28Au2Cl2FeP2

DETAILS

Sigma Aldrich - 735043

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′