Information card for entry 2201791

Structure parameters

• Chemical name: tetra-μ~3~-tert-butoxy-tetra-μ~4~-tert-butoxy-tetralithiumtetrasodium
• Formula: C32 H72 Li4 Na4 O8
• Calculated formula: C32 H72 Li4 Na4 O8
• SMILES: [Na]123[O]45([Na]67[O]8([Na]9%10[O]%11([Na]%12([O]1([Li]4%11)C(C)(C)C)[O]9([Li]1[O]3%12([Li]([O]26C(C)(C)C)[O]7%101C(C)(C)C)C(C)(C)C)C(C)(C)C)([Li]58)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A triclinic polymorph of octa-<i>tert</i>-butoxytetralithiumtetrasodium
• Authors of publication: Clegg, William; Drummond, Allison M.; Liddle, Stephen T.; Mulvey, Robert E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m64 - m66
• a: 11.1917 ± 0.0008 Å
• b: 21.0007 ± 0.0014 Å
• c: 29.45 ± 0.002 Å
• α: 82.56 ± 0.002°
• β: 89.492 ± 0.002°
• γ: 82.033 ± 0.002°
• Cell volume: 6796.9 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes