Information card for entry 4311210

Structure parameters

• Formula: C37 H48 Br2 Cl2 N2 O2 Sn
• Calculated formula: C37 Br2 Cl2 N2 O2 Sn
• SMILES: [Sn]123Oc4c(cc(cc4C=[N]2c2ccccc2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Br-].[Br-].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: 11.419 ± 0.002 Å
• b: 13.057 ± 0.002 Å
• c: 13.845 ± 0.003 Å
• α: 75.089 ± 0.003°
• β: 76.771 ± 0.003°
• γ: 89.064 ± 0.003°
• Cell volume: 1939.8 ± 0.6 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 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: 0.1057
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No