Information card for entry 4311212

Structure parameters

• Formula: C36 H50 Cl4 F6 N2 O8 S2 Sn
• Calculated formula: C36 H50 Cl4 F6 N2 O8 S2 Sn
• SMILES: [Sn]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.ClCCl.ClCCl
• Title of publication: (Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide
• Authors of publication: Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4315 - 4327
• a: 12.778 ± 0.003 Å
• b: 26.361 ± 0.006 Å
• c: 13.618 ± 0.003 Å
• α: 90°
• β: 92.459 ± 0.003°
• γ: 90°
• Cell volume: 4582.9 ± 1.8 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections: 2.851
• Goodness-of-fit parameter for all reflections included in the refinement: 2.85
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No