Information card for entry 8000185

Structure parameters

• Formula: C44 H44 Cl2 P2 Pd S
• Calculated formula: C44 H44 Cl2 P2 Pd S
• SMILES: c12ccc(cc1Sc1c(ccc(c1)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)[Pd]([P]2(c1ccccc1)c1ccccc1)(Cl)Cl)C(C)(C)C
• Title of publication: Synthesis of a Sulfur-bridged Diphosphine Ligand and Its Unique Complexation Properties toward Palladium(II) Ion
• Authors of publication: Morohashi, Naoya; Akahira, Yuki; Tanaka, Shinya; Nishiyama, Kensuke; Kajiwara, Takashi; Hattori, Tetsutaro
• Journal of publication: Chemistry Letters
• Year of publication: 2008
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 418
• a: 33.551 ± 0.005 Å
• b: 14.137 ± 0.002 Å
• c: 23.109 ± 0.004 Å
• α: 90°
• β: 133.018 ± 0.003°
• γ: 90°
• Cell volume: 8014 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No