Information card for entry 7057519

Structure parameters

• Formula: C56 H82 O28 Ti6
• Calculated formula: C56 H82 O28 Ti6
• Title of publication: Two new hexanuclear titanium oxo cluster types and their structural connection to known clusters
• Authors of publication: Czakler, Matthias; Artner, Christine; Schubert, Ulrich
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 12098
• a: 9.6136 ± 0.0004 Å
• b: 12.9095 ± 0.0007 Å
• c: 13.5706 ± 0.0007 Å
• α: 95.16 ± 0.002°
• β: 96.711 ± 0.002°
• γ: 105.18 ± 0.002°
• Cell volume: 1601.49 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No