Information card for entry 4071907

Structure parameters

• Formula: C46 H44 O6 P2 Pt S
• Calculated formula: C46 H44 O6 P2 Pt S
• SMILES: [Pt]1(C(=C(Sc2ccc(OC)cc2)C(=O)OC)C(=O)OC)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction
• Authors of publication: Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4788
• a: 12.631 ± 0.001 Å
• b: 17.188 ± 0.002 Å
• c: 11.455 ± 0.001 Å
• α: 90.219 ± 0.004°
• β: 114.082 ± 0.005°
• γ: 107.153 ± 0.003°
• Cell volume: 2147.4 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No