Information card for entry 4075117

Structure parameters

• Formula: C28 H36 O3 P2 S
• Calculated formula: C28 H36 O3 P2 S
• Title of publication: The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†
• Authors of publication: Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2886
• a: 11.2637 ± 0.001 Å
• b: 14.92 ± 0.002 Å
• c: 17.289 ± 0.002 Å
• α: 84.923 ± 0.004°
• β: 89.342 ± 0.007°
• γ: 77.652 ± 0.007°
• Cell volume: 2827.1 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No