Information card for entry 7024141

Structure parameters

• Formula: C41 H34 F6 O P2 Pd S
• Calculated formula: C41 H34 F6 O P2 Pd S
• SMILES: [Pd]12(Sc3ccccc3C(C(F)(F)F)(C(F)(F)F)O1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Insertion of platinum and palladium into a sulfur(IV)-sulfur(II) bond of a sulfur-substituted sulfurane.
• Authors of publication: Kano, Naokazu; Kusaka, Shinpei; Kawashima, Takayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 456 - 460
• a: 10.054 ± 0.004 Å
• b: 11.308 ± 0.004 Å
• c: 17.161 ± 0.007 Å
• α: 98.614 ± 0.014°
• β: 94.818 ± 0.013°
• γ: 105.675 ± 0.015°
• Cell volume: 1841.4 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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 all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No