Information card for entry 8000187

Structure parameters

• Formula: C46.5 H49 Cl9 P2 Pd2 S
• Calculated formula: C46.4 H44 Cl8.8 P2 Pd2 S
• 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: 16.0327 ± 0.0014 Å
• b: 16.3617 ± 0.0014 Å
• c: 19.3823 ± 0.0015 Å
• α: 90°
• β: 94.272 ± 0.003°
• γ: 90°
• Cell volume: 5070.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No