Information card for entry 4067244

Structure parameters

• Formula: C25 H34 Cl2 N2 O2 Pt S
• Calculated formula: C25 H34 Cl2 N2 O2 Pt S
• SMILES: [Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[C]2(CN(S(=O)(=O)c3ccc(cc3)C)CC=C(CC[CH]1=2)C)C
• Title of publication: A Unique Functional Group Transformation of Planar Chiral Diolefinic Organonitrogen Cycles Utilizing PtCl2(2,4,6-trimethylpyridine) Complexes
• Authors of publication: Tomooka, Katsuhiko; Shimada, Maki; Uehara, Kazuhiro; Ito, Masato
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6632
• a: 7.625 ± 0.007 Å
• b: 15.749 ± 0.013 Å
• c: 23.59 ± 0.02 Å
• α: 90°
• β: 101.158 ± 0.013°
• γ: 90°
• Cell volume: 2779 ± 4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No