Information card for entry 4341944

Structure parameters

• Formula: C32 H28 Al2 F12 N4 O5 S4
• Calculated formula: C32 H28 Al2 F12 N4 O5 S4
• SMILES: c1(c(C)sc2C=C(O[Al]3([n]12)([n]1c(c(sc1C=C(O3)C(F)(F)F)C)C)O[Al]12([n]3c(c(C)sc3C=C(C(F)(F)F)O1)C)[n]1c(c(sc1C=C(O2)C(F)(F)F)C)C)C(F)(F)F)C
• Title of publication: Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.
• Authors of publication: Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 25 - 37
• a: 10.6761 ± 0.0018 Å
• b: 26.194 ± 0.006 Å
• c: 15.456 ± 0.003 Å
• α: 90°
• β: 108.469 ± 0.013°
• γ: 90°
• Cell volume: 4099.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2439
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No