Information card for entry 7101381

Structure parameters

• Formula: C63 H75 N6 Tl3
• Calculated formula: C63 H75 N6 Tl3
• SMILES: [Tl]1N(C(=CC(=[N]1c1cc(cc(c1)C)C)C)C)c1cc(cc(c1)C)C
• 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: 10.0548 ± 0.0002 Å
• b: 12.3991 ± 0.0003 Å
• c: 24.0307 ± 0.0005 Å
• α: 92.243 ± 0.002°
• β: 98.399 ± 0.001°
• γ: 97.355 ± 0.001°
• Cell volume: 2934.29 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No