Information card for entry 4080894

Structure parameters

• Common name: [(COD)Pt(CC(2Me)Ph)2]
• Chemical name: Bis((2-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)
• Formula: C26 H26 Pt
• Calculated formula: C26 H26 Pt
• SMILES: [CH]12=[CH]3CC[CH]4[Pt]13(C#Cc1c(cccc1)C)([CH]=4CC2)C#Cc1c(cccc1)C
• Title of publication: Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands
• Authors of publication: Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3662
• a: 7.9541 ± 0.0008 Å
• b: 13.085 ± 0.0014 Å
• c: 18.971 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1974.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No