Information card for entry 4075543

Structure parameters

• Formula: C34 H55 F12 N3 O2 P2 Sn
• Calculated formula: C34 H55 F12 N3 O2 P2 Sn
• SMILES: [Sn]1(OC(CP(C(C)(C)C)C(C)(C)C)(C(F)(F)F)C(F)(F)F)OC(CP(C(C)(C)C)(C(C)(C)C)=[N]1N=NC12CC3CC(C1)CC(C3)C2)(C(F)(F)F)C(F)(F)F
• Title of publication: Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4170
• a: 10.4018 ± 0.0018 Å
• b: 11.635 ± 0.002 Å
• c: 17.737 ± 0.003 Å
• α: 81.55 ± 0.002°
• β: 77.711 ± 0.002°
• γ: 81.393 ± 0.002°
• Cell volume: 2059 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No