Information card for entry 1576338

Structure parameters

• Chemical name: Ti4O4(O2PPh2)4(OCH2CH2CH2O)2
• Formula: C54 H52 O16 P4 Ti4
• Calculated formula: C54 H52 O16 P4 Ti4
• Title of publication: Switching on photoreactivity in Ti4-oxo clusters by increasing the size of 1,n-alkane diolate bridging ligands
• Authors of publication: Chikara, Ashwani; Veale, Alexander R.; Brown, Stephen E.; Woolley, Jack M.; De Proft, Frank; Pike, Sebastian D.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 14.8777 ± 0.0002 Å
• b: 14.9255 ± 0.0002 Å
• c: 16.2004 ± 0.0001 Å
• α: 63.9439 ± 0.0013°
• β: 88.892 ± 0.0013°
• γ: 60.8791 ± 0.0018°
• Cell volume: 2735.26 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1374
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9838
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No