Information card for entry 7035641

Structure parameters

• Formula: C28 H40 Al Cl2 N2
• Calculated formula: C28 H40 Al Cl2 N2
• SMILES: C1(C(C)=[N]([Al]([N]=1c1c(cccc1C(C)C)C(C)C)(Cl)Cl)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: 12.542 ± 0.002 Å
• b: 21.514 ± 0.004 Å
• c: 10.581 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No