Information card for entry 4070430

Structure parameters

• Formula: C96 H100 O10 Tl6
• Calculated formula: C96 H100 O10 Tl6
• Title of publication: Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes Containing Bulkym-Terphenyl Substituents
• Authors of publication: Ahmad, S. Usman; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6893
• a: 14.301 ± 0.012 Å
• b: 20.8 ± 0.02 Å
• c: 18.082 ± 0.017 Å
• α: 90°
• β: 108.26 ± 0.06°
• γ: 90°
• Cell volume: 5108 ± 8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No