Information card for entry 4317598

Structure parameters

• Common name: TlTi(DMP)2(ONep)3
• Formula: C31 H51 O5 Ti Tl
• Calculated formula: C31 H51 O5 Ti Tl
• SMILES: [Tl]1[O](CC(C)(C)C)[Ti]([O]1c1c(cccc1C)C)(OCC(C)(C)C)(OCC(C)(C)C)Oc1c(cccc1C)C
• Title of publication: From Clusters to Ionic Complexes: Structurally Characterized Thallium Titanium Double Alkoxides
• Authors of publication: Timothy J. Boyle; Cecilia A. Zechmann; Todd M. Alam; Mark A. Rodriguez; Cybele A. Hijar; Brian L. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 946 - 957
• a: 12.1149 ± 0.001 Å
• b: 15.2386 ± 0.0013 Å
• c: 19.3032 ± 0.0016 Å
• α: 90°
• β: 105.758 ± 0.002°
• γ: 90°
• Cell volume: 3429.7 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No