Information card for entry 7035634

Structure parameters

• Formula: C49.5 H80 Al N2 Na O3 Si2
• Calculated formula: C49.5 H80 Al N2 Na O3 Si2
• SMILES: [Si]([C]1#[C]2[Al]3([C]4#[C]([Si](C)(C)C)[Na]4512([O]1CCCC1)([O](CC[O]5C)C))N(C(=C(N3c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C.c1(C)ccccc1
• 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: 12.609 ± 0.0017 Å
• b: 19.913 ± 0.003 Å
• c: 21.881 ± 0.003 Å
• α: 79.478 ± 0.002°
• β: 86.486 ± 0.002°
• γ: 89.329 ± 0.002°
• Cell volume: 5391.4 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No