Information card for entry 7049027

Structure parameters

• Formula: C87 H132 K12 N36 O61 Ti12
• Calculated formula: C87 H120 K12 N36 O61 Ti12
• Title of publication: Synthesis, structural and physicochemical characterization of a new type Ti₆-oxo cluster protected by a cyclic imide dioxime ligand.
• Authors of publication: Passadis, Stamatis S.; Hadjithoma, Sofia; Kalampounias, Angelos G.; Tsipis, Athanassios C.; Sproules, Stephen; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5551 - 5559
• a: 20.265 ± 0.005 Å
• b: 20.265 ± 0.005 Å
• c: 13.335 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4743 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.3239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No