Information card for entry 4071904

Structure parameters

• Formula: C42 H34 Br Cl P2 Pt S
• Calculated formula: C42 H34 Br Cl P2 Pt S
• SMILES: [Pt](Cl)(Sc1c(Br)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.1621 ± 0.0003 Å
• b: 11.634 ± 0.0003 Å
• c: 20.201 ± 0.0005 Å
• α: 83.907 ± 0.0008°
• β: 77.3 ± 0.001°
• γ: 74.767 ± 0.001°
• Cell volume: 2024.1 ± 0.1 ų
• Cell temperature: 203.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 2.548
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No