Information card for entry 4080895

Structure parameters

• Common name: [(COD)Pt(CC(3Me)Ph)2]
• Chemical name: Bis((3-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)
• Formula: C26 H26 Pt
• Calculated formula: C26 H26 Pt
• SMILES: C(#Cc1cc(ccc1)C)[Pt]123([CH]4=[CH]2CC[CH]1=[CH]3CC4)C#Cc1cc(ccc1)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: 11.0258 ± 0.0014 Å
• b: 7.9891 ± 0.0008 Å
• c: 11.8817 ± 0.0013 Å
• α: 90°
• β: 100.068 ± 0.014°
• γ: 90°
• Cell volume: 1030.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No