Information card for entry 4075119

Structure parameters

• Formula: C40 H45 F6 O3 P3 S Sn
• Calculated formula: C40 H45 F6 O3 P3 S Sn
• SMILES: [Sn]12([S]=P(c3c2c(P(=[O]1)(OC(C)C)OC(C)C)cc(c3)C(C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.1588 ± 0.0005 Å
• b: 11.8227 ± 0.0011 Å
• c: 16.2506 ± 0.0014 Å
• α: 88.244 ± 0.003°
• β: 74.999 ± 0.005°
• γ: 86.297 ± 0.005°
• Cell volume: 2066.3 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0936
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No