Information card for entry 4065394

Structure parameters

• Formula: C20 H36 Cl3 K O6 Pt
• Calculated formula: C20 H36 Cl3 K O6 Pt
• SMILES: [C]12#[C](CCCCCC1)[Pt]2(Cl)(Cl)Cl.[K]12345[O]6CC[O]2CC[O]4CC[O]5CC[O]1CC[O]3CC6
• Title of publication: On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]
• Authors of publication: König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5919
• a: 8.257 ± 0.0006 Å
• b: 12.1652 ± 0.0007 Å
• c: 26.975 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2709.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No