Information card for entry 7039841

Structure parameters

• Formula: C59.5 H66.75 Al2 N6.25 O2
• Calculated formula: C59.5 H66.75 Al2 N6.25 O2
• Title of publication: Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes.
• Authors of publication: Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 11990 - 12005
• a: 15.2938 ± 0.0019 Å
• b: 15.671 ± 0.002 Å
• c: 25.086 ± 0.003 Å
• α: 93.9493 ± 0.0017°
• β: 97.1008 ± 0.0016°
• γ: 112.575 ± 0.0016°
• Cell volume: 5464.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.6884 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No