Information card for entry 4067245

Structure parameters

• Formula: C25 H34 Cl2 N2 O3 Pt S
• Calculated formula: C25 H34 Cl2 N2 O3 Pt S
• SMILES: [Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[C]2(CN(S(=O)(=O)c3ccc(cc3)C)C[C@H]3O[C@]3(CC[CH]1=2)C)C.[Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[C]2(CN(S(=O)(=O)c3ccc(cc3)C)C[C@@H]3O[C@@]3(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: 7.529 ± 0.003 Å
• b: 15.667 ± 0.005 Å
• c: 23.236 ± 0.008 Å
• α: 90°
• β: 96.763 ± 0.007°
• γ: 90°
• Cell volume: 2721.8 ± 1.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No