Information card for entry 7035635

Structure parameters

• Formula: C52 H63 Al N2 Na O
• Calculated formula: C52 H63 Al N2 Na O
• SMILES: [Al]12(N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[C](#Cc1ccccc1)[Na]([O]1CCCC1)[C]2#Cc1ccccc1.c1(ccc(C)cc1)C
• 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: 15.289 ± 0.007 Å
• b: 15.214 ± 0.007 Å
• c: 22.131 ± 0.01 Å
• α: 90°
• β: 107.956 ± 0.006°
• γ: 90°
• Cell volume: 4897 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.211
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.3015
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No