Information card for entry 4319169

Structure parameters

• Formula: C26 H56 Al N4 Na O9 S2
• Calculated formula: C26 H56 Al N4 Na O9 S2
• SMILES: S12(=[O][Na]3456([O]=1)[O]1CC[O]5CC[O]6CC[O]3CC[O]4CC1)N(C(C)(C)C)[Al]1(N(C(C)(C)C)S(=O)(=O)N1C(C)(C)C)N2C(C)(C)C
• Title of publication: Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2
• Authors of publication: Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 384 - 388
• a: 16.031 ± 0.002 Å
• b: 9.9074 ± 0.0014 Å
• c: 23.963 ± 0.004 Å
• α: 90°
• β: 103.326 ± 0.002°
• γ: 90°
• Cell volume: 3703.5 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No