Information card for entry 4083737

Structure parameters

• Formula: C14 H18 Cl3 N2 O3 Pt1.5 S
• Calculated formula: C14 H18 Cl3 N2 O3 Pt1.5 S
• Title of publication: Synthesis and Characterization of Palladium(II) and Platinum(II) Adducts and Cyclometalated Complexes of 6,6′-Dimethoxy-2,2′-bipyridine: C(sp3)‒H and C(sp2)‒H Bond Activations
• Authors of publication: Cocco, Fabio; Zucca, Antonio; Stoccoro, Sergio; Serratrice, Maria; Guerri, Annalisa; Cinellu, Maria A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140624160931008
• a: 10.8035 ± 0.0004 Å
• b: 16.0885 ± 0.0007 Å
• c: 11.419 ± 0.0004 Å
• α: 90°
• β: 103.92 ± 0.004°
• γ: 90°
• Cell volume: 1926.47 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No