Information card for entry 8000186

Structure parameters

• Formula: C45 H44 Cl F3 O3 P2 Pd S2
• Calculated formula: C45 H44 Cl F3 O3 P2 Pd S2
• 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: 9.716 ± 0.002 Å
• b: 14.243 ± 0.003 Å
• c: 17.332 ± 0.004 Å
• α: 74.498 ± 0.003°
• β: 83.536 ± 0.003°
• γ: 71.315 ± 0.003°
• Cell volume: 2188.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No