Information card for entry 7123890

Structure parameters

• Formula: C84 H131 Al2 N8 Na O3
• Calculated formula: C80 H115 Al2 N8 Na O2
• Title of publication: Reductive linear- and cyclo-trimerization of isocyanides using an Al‒Al-bonded compound
• Authors of publication: Chen, Weixing; Zhao, Yanxia; Xu, Wenhua; Su, Ji-Hu; Shen, Lingyi; Liu, Li; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.844 ± 0.009 Å
• b: 26.227 ± 0.014 Å
• c: 20.493 ± 0.013 Å
• α: 90°
• β: 108.599 ± 0.016°
• γ: 90°
• Cell volume: 9090 ± 9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• 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: 0.1307
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No