Information card for entry 4065393

Structure parameters

• Formula: C21 H28 Cl3 K O6 Pt
• Calculated formula: C21 H28 Cl3 K O6 Pt
• SMILES: [C]1(#[C](C)[Pt]1(Cl)(Cl)Cl)c1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456
• 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: 9.8039 ± 0.0006 Å
• b: 9.8499 ± 0.0008 Å
• c: 28.3364 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2736.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 1 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: 0.0601
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No