Information card for entry 4325694

Structure parameters

• Formula: C132 H124 Al4 B2 F48 N4 O10
• Calculated formula: C132 H124 Al4 B2 F48 N4 O10
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c12c(cc(cc2C(C)(C)C)C(C)(C)C)C=[N]2[Al]34(O1)[O]([Al]1([N](=Cc5c(O1)c(cc(c5)C(C)(C)C)C(C)(C)C)CC[O]36)O[Al]135[N](=Cc7c(c(cc(c7)C(C)(C)C)C(C)(C)C)O1)CC[O]3[Al]136([N](=Cc6c(O1)c(cc(c6)C(C)(C)C)C(C)(C)C)CC[O]53)O4)CC2.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes
• Authors of publication: Donald J. Darensbourg; Osit Karroonnirun; Stephanie J. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6775 - 6787
• a: 16.202 ± 0.006 Å
• b: 17.644 ± 0.007 Å
• c: 18.126 ± 0.006 Å
• α: 74.59 ± 0.02°
• β: 66.12 ± 0.02°
• γ: 75.58 ± 0.02°
• Cell volume: 4509 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1486
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No