Information card for entry 2022394

Structure parameters

• Chemical name: μ-Oxido-bis[dichloridotris(tetrahydrofuran-κ<i>O</i>)titanium(III)]
• Formula: C24 H48 Cl4 O7 Ti2
• Calculated formula: C24 H48 Cl4 O7 Ti2
• Title of publication: Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex
• Authors of publication: Bloomfield, Hannah R.; Hollett, Joshua W.; Ritch, Jamie S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• a: 19.1347 ± 0.0005 Å
• b: 9.1227 ± 0.0003 Å
• c: 18.7937 ± 0.0005 Å
• α: 90°
• β: 102.092 ± 0.002°
• γ: 90°
• Cell volume: 3207.84 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1102
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes