Information card for entry 7716805

Structure parameters

• Formula: C58 H86 O17 Ti4
• Calculated formula: C58 H86 O17 Ti4
• Title of publication: Investigation of titanium(IV)-oxo complexes stabilized with α-hydroxy carboxylate ligands: structural analysis and DFT studies.
• Authors of publication: Kubiak, Barbara; Muzioł, Tadeusz; Jabłoński, Mirosław; Radtke, Aleksandra; Piszczek, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 14457 - 14468
• a: 22.4667 ± 0.0004 Å
• b: 12.6262 ± 0.0002 Å
• c: 23.073 ± 0.0005 Å
• α: 90°
• β: 106.004 ± 0.0019°
• γ: 90°
• Cell volume: 6291.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No