Information card for entry 4341945

Structure parameters

• Formula: C32 H46 Al2 F6 N2 O6
• Calculated formula: C32 H46 Al2 F6 N2 O6
• SMILES: [Al]123([O](C(C)(C)C)[Al]([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(=Cc3[n]1cccc3)C(F)(F)F)OC(=Cc1[n]2cccc1)C(F)(F)F
• 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: 10.7308 ± 0.0011 Å
• b: 20.052 ± 0.003 Å
• c: 20.203 ± 0.002 Å
• α: 90°
• β: 121.644 ± 0.007°
• γ: 90°
• Cell volume: 3700.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No