Information card for entry 7714311

Structure parameters

• Formula: C13 H20 Al Cl N2 O
• Calculated formula: C13 H20 Al Cl N2 O
• Title of publication: Improvement of Catalytic Activity of Aluminum Complexes for the Ring-Opening Polymerization of ε‑Caprolactone: Aluminum Thioamidate and Thioureidate Systems
• Authors of publication: Chen, Hsuan-Ying; Ganta, Prasanna Kumar; Teja, Mallemadugula Ravi; Chang, Chun-Juei; Anandan, Sambandam; Kamaraj, Rajiv; Chu, Yu-Ting; Ding, Shangwu; Chen, Hsing-Yin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.6661 ± 0.0003 Å
• b: 9.5072 ± 0.0003 Å
• c: 10.4135 ± 0.0004 Å
• α: 67.106 ± 0.003°
• β: 70.895 ± 0.003°
• γ: 85.831 ± 0.002°
• Cell volume: 745.38 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No