Information card for entry 4349496

Structure parameters

• Formula: C28 H32 Al2 N4
• Calculated formula: C28 H32 Al2 N4
• SMILES: [Al]1([n]2c3C4(N1c1c(N5[Al]([n]6c7C5=C4CCc7ccc6)(C)C)cccc1)CCCc3ccc2)(C)C
• Title of publication: Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization
• Authors of publication: Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1317
• a: 8.9764 ± 0.0019 Å
• b: 18.234 ± 0.004 Å
• c: 30.861 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5051.2 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No