Information card for entry 4070428

Structure parameters

• Formula: C49 H50 Cl6 Tl2
• Calculated formula: C49 H50 Cl6 Tl2
• 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: 10.615 ± 0.006 Å
• b: 16.897 ± 0.012 Å
• c: 13.685 ± 0.009 Å
• α: 90°
• β: 94.1 ± 0.05°
• γ: 90°
• Cell volume: 2448 ± 3 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: 0.0606
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No