Information card for entry 7706473

Structure parameters

• Formula: C34 H54 O2 Tl2
• Calculated formula: C34 H54 O2 Tl2
• SMILES: [Tl]1[O](C(c2cc(cc(c2)C)C)(C(C)(C)C)C(C)(C)C)[Tl][O]1C(C(C)(C)C)(c1cc(cc(C)c1)C)C(C)(C)C
• Title of publication: Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl₂(OR)₂ complexes.
• Authors of publication: Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2501 - 2509
• a: 8.0476 ± 0.0003 Å
• b: 15.1435 ± 0.0006 Å
• c: 13.6841 ± 0.0005 Å
• α: 90°
• β: 98.924 ± 0.001°
• γ: 90°
• Cell volume: 1647.48 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No