Information card for entry 7035638

Structure parameters

• Formula: C114 H172 Al2 N4 Na2 O2
• Calculated formula: C114 H172 Al2 N4 Na2 O2
• SMILES: C1(C)(/C(=N/c2c(cccc2C(C)C)C(C)C)C)N(c2c(cccc2C(C)C)C(C)C)[Al](C#CCCCC)(C=C1CCCC)C#CCCCC.[Na][O](CC)CC.Cc1ccccc1
• Title of publication: Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.
• Authors of publication: Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13671 - 13680
• a: 19.7833 ± 0.0017 Å
• b: 19.3362 ± 0.0017 Å
• c: 28.545 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10919.4 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No