Information card for entry 7026561

Structure parameters

• Formula: C15 H16 Al N3
• Calculated formula: C15 H16 Al N3
• SMILES: [Al]1([n]2c(c3n1c1c(n3)cccc1)cccc2C)(C)C
• Title of publication: Synthesis and characterisation of alkylaluminium benzimidazolates and their use in the ring-opening polymerisation of ε-caprolactone.
• Authors of publication: Shen, Miao; Huang, Wei; Zhang, Wenjuan; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9912 - 9922
• a: 12.53 ± 0.003 Å
• b: 13.566 ± 0.003 Å
• c: 16.714 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2841.1 ± 1.1 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 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 significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No