Information card for entry 4317599

Structure parameters

• Common name: Tl[Ti(DMP)5]
• Formula: C40 H45 O5 Ti Tl
• Calculated formula: C40 H45 O5 Ti Tl
• SMILES: c1(c(cccc1C)C)O[Ti](Oc1c(cccc1C)C)(Oc1c(cccc1C)C)(Oc1c(cccc1C)C)Oc1c(cccc1C)C.[Tl+]
• 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: 17.1148 ± 0.0012 Å
• b: 10.5537 ± 0.0007 Å
• c: 19.649 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3549.1 ± 0.4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No