Information card for entry 7026564

Structure parameters

• Formula: C30 H30 Al2 Cl2 N6
• Calculated formula: C30 H30 Al2 Cl2 N6
• SMILES: Cl[Al](Cl)([n]1c2n([Al]3([n]4c2cccc4C)([n]2c(c4nc5ccccc5n34)cccc2C)CC)c2ccccc12)CC
• 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: 9.949 ± 0.002 Å
• b: 11.954 ± 0.002 Å
• c: 13.354 ± 0.003 Å
• α: 110.54 ± 0.03°
• β: 100.71 ± 0.03°
• γ: 93.27 ± 0.03°
• Cell volume: 1448.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No