Information card for entry 1576339

Structure parameters

• Chemical name: [Ti4O4(OCH2CH2CH2CH2O)2(O2PPh2)4]
• Formula: C70 H72 O16 P4 Ti4
• Calculated formula: C70 H72 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: 12.2976 ± 0.000008 Å
• b: 15.695701 ± 0.000009 Å
• c: 19.424 ± 0.000011 Å
• α: 69.567 ± 0.0013°
• β: 76.459 ± 0.0013°
• γ: 80.874 ± 0.0013°
• Cell volume: 3403.47 ± 0.03 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: 0.1304
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7918
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No