Information card for entry 2214864

Structure parameters

• Chemical name: [μ-1-Benzyl-4-(4-<i>tert</i>-butylphenyl)piperazine- κ^2^N:N']bis[trimethylaluminium(III)]
• Formula: C27 H46 Al2 N2
• Calculated formula: C27 H46 Al2 N2
• SMILES: [Al](C)(C)(C)[N]1(CC[N]([Al](C)(C)C)(CC1)c1ccc(cc1)C(C)(C)C)Cc1ccccc1
• Title of publication: [μ-1-Benzyl-4-(4-<i>tert</i>-butylphenyl)piperazine-κ^2^<i>N</i>:<i>N</i>']bis[trimethylaluminium(III)]
• Authors of publication: Yang, Li-Chao; Xu, Qiang-Guo; Ou, Jia-Bao; Li, Yi-Zhi; Wu, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2169 - m2169
• a: 11.191 ± 0.003 Å
• b: 12.809 ± 0.003 Å
• c: 20.489 ± 0.005 Å
• α: 101.419 ± 0.003°
• β: 96.138 ± 0.004°
• γ: 90.242 ± 0.004°
• Cell volume: 2861.4 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes