Information card for entry 7035631

Structure parameters

• Formula: C43 H59 Al N2 O1.5
• Calculated formula: C43 H59 Al N2 O1.5
• SMILES: O1CCCC1.C1(=C(C)N([Al](N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)C#Cc1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C)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: 39.766 ± 0.01 Å
• b: 16.373 ± 0.004 Å
• c: 12.36 ± 0.003 Å
• α: 90°
• β: 95.498 ± 0.003°
• γ: 90°
• Cell volume: 8010 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No