Information card for entry 7035633

Structure parameters

• Formula: C61 H80 Al N2 Na O3
• Calculated formula: C61 H80 Al N2 Na O3
• SMILES: [Al]12([C](#Cc3ccc(cc3)C)[Na]3([O](C)CC[O]3C)([O]3CCCC3)[C]2#Cc2ccc(cc2)C)N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.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: 17.619 ± 0.004 Å
• b: 15.448 ± 0.003 Å
• c: 21.942 ± 0.005 Å
• α: 90°
• β: 110.058 ± 0.003°
• γ: 90°
• Cell volume: 5610 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No