Information card for entry 7030838

Structure parameters

• Formula: C30 H37 Al2 N5 O2
• Calculated formula: C30 H37 Al2 N5 O2
• SMILES: c1ccc2C=[N]3[Al]45(n12)(n1cccc1C=[N]4CCNCC3)[O]([Al]([O]5Cc1ccccc1)(C)C)Cc1ccccc1
• Title of publication: Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.
• Authors of publication: Kong, Wei-Li; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9126 - 9135
• a: 9.4671 ± 0.0009 Å
• b: 16.0827 ± 0.0017 Å
• c: 19.672 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No