Information card for entry 2228446

Structure parameters

• Chemical name: Tetra-μ~3~-<i>tert</i>-butanolato-tetrathallium(I)
• Formula: C16 H36 O4 Tl4
• Calculated formula: C16 H36 O4 Tl4
• SMILES: C(C)(C)(C)[O]12[Tl]3[O]4(C(C)(C)C)[Tl]5[O](C(C)(C)C)([Tl]14)[Tl]2[O]35C(C)(C)C
• Title of publication: Tetra-μ~3~-<i>tert</i>-butanolato-tetrathallium(I)
• Authors of publication: Blasberg, Florian; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1621
• a: 17.15 ± 0.0015 Å
• b: 17.15 ± 0.0015 Å
• c: 17.15 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5044.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes