Information card for entry 1506426

Structure parameters

• Formula: C28 H26 Cl6 N2 O3.79 Sn
• Calculated formula: C28 H26 Cl6 N2 O3.79 Sn
• SMILES: [Sn]123([N](c4c([N]1=Cc1c(O2)c(Cl)cc(Cl)c1)cccc4)=Cc1c(O3)c(Cl)cc(Cl)c1)(Cl)Cl.O1CCCC1.C1COCC1
• Title of publication: Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts
• Authors of publication: Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon
• Journal of publication: Macromolecules
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 13
• Pages of publication: 5406
• a: 13.713 ± 0.003 Å
• b: 14.784 ± 0.003 Å
• c: 15.649 ± 0.003 Å
• α: 90°
• β: 107.852 ± 0.004°
• γ: 90°
• Cell volume: 3019.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No