Information card for entry 7035636

Structure parameters

• Formula: C83 H124 Al2 N4 Na2 Si4
• Calculated formula: C83 H124 Al2 N4 Na2 Si4
• SMILES: [Si](C#C[Al]1(N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C#C[Si](C)(C)C)(C)(C)C.[Na+].c1(ccccc1)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: 12.8201 ± 0.0015 Å
• b: 32.219 ± 0.004 Å
• c: 23.498 ± 0.003 Å
• α: 90°
• β: 95.188 ± 0.002°
• γ: 90°
• Cell volume: 9666 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1905
• 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