Information card for entry 4071905

Structure parameters

• Formula: C51 H42 Cl4 P2 Pt S
• Calculated formula: C51 H42 Cl4 P2 Pt S
• SMILES: [Pt](C=C(Sc1ccc(Cl)cc1)c1ccccc1)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 12.731 ± 0.002 Å
• b: 10.829 ± 0.002 Å
• c: 33.907 ± 0.005 Å
• α: 90 ± 0.01°
• β: 92.26 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 4670.9 ± 1.3 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.411
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No