Information card for entry 4065392

Structure parameters

• Formula: C22 H42 Cl3 K O6 Pt
• Calculated formula: C22 H42 Cl3 K O6 Pt
• SMILES: [C]1(#[C](C(C)(C)C)[Pt]1(Cl)(Cl)Cl)C(C)(C)C.[K]12345[O]6CC[O]1CC[O]3CC[O]4CC[O]5CC[O]2CC6
• 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: 16.957 ± 0.002 Å
• b: 8.706 ± 0.0012 Å
• c: 22.118 ± 0.0014 Å
• α: 90°
• β: 110.635 ± 0.009°
• γ: 90°
• Cell volume: 3055.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No