Information card for entry 4349497

Structure parameters

• Formula: C30 H36 Al2 N4
• Calculated formula: C30 H36 Al2 N4
• SMILES: [Al]1(N2C3(CCCc4c3[n]1c(cc4)C)C1=C3N([Al]([n]4c3c(ccc4C)CC1)(C)C)c1c2cccc1)(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: 34.71 ± 0.007 Å
• b: 8.91 ± 0.0018 Å
• c: 18.77 ± 0.004 Å
• α: 90°
• β: 101.07 ± 0.03°
• γ: 90°
• Cell volume: 5697 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No