Information card for entry 4311209

Structure parameters

• Formula: C33 H47 Cl5 N2 O2 Sn
• Calculated formula: C33 H47 Cl5 N2 O2 Sn
• SMILES: [Sn]123Oc4c(cc(cc4C=[N]2CC[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].ClC(Cl)Cl
• 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: 9.9933 ± 0.0007 Å
• b: 12.6633 ± 0.0009 Å
• c: 29.922 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3786.6 ± 0.5 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections: 12.262
• Goodness-of-fit parameter for all reflections included in the refinement: 2.8
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No