Information card for entry 7101380

Structure parameters

• Formula: C42 H51 N4 Tl
• Calculated formula: C42 H51 N4 Tl
• Title of publication: Aggregation of thallium(I) beta-diketiminates
• Authors of publication: Michael Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 35
• a: 22.3307 ± 0.0003 Å
• b: 16.6863 ± 0.0003 Å
• c: 10.231 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3812.24 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No