Information card for entry 7128367

Structure parameters

• Formula: C75 H102 Al2 N6
• Calculated formula: C75 H101 Al2 N6
• Title of publication: Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.
• Authors of publication: Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 51
• Pages of publication: 6268 - 6271
• a: 14.224 ± 0.003 Å
• b: 11.946 ± 0.002 Å
• c: 19.65 ± 0.004 Å
• α: 90°
• β: 92.092 ± 0.007°
• γ: 90°
• Cell volume: 3336.7 ± 1.1 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No