Information card for entry 7026565

Structure parameters

• Formula: C19 H25 Al2 Cl2 N3
• Calculated formula: C19 H25 Al2 Cl2 N3
• SMILES: [Al]1(n2c3c([n]([Al](Cl)(Cl)CC)c2c2[n]1c(ccc2)C)cccc3)(CC)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: 36.391 ± 0.007 Å
• b: 7.5279 ± 0.0015 Å
• c: 17.176 ± 0.003 Å
• α: 90°
• β: 112.05 ± 0.03°
• γ: 90°
• Cell volume: 4361.2 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No