Information card for entry 1576335

Structure parameters

• Chemical name: Ti4O4(O2PPh2)4(OCH2CH2O)2
• Formula: C53.79 H49.79 Cl5.38 O16 P4 Ti4
• Calculated formula: C53.79 H49.79 Cl5.37 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: 9.6817 ± 0.0008 Å
• b: 14.9038 ± 0.0008 Å
• c: 21.3452 ± 0.0017 Å
• α: 93.685 ± 0.007°
• β: 91.421 ± 0.008°
• γ: 90.05 ± 0.006°
• Cell volume: 3072.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3013
• Residual factor for significantly intense reflections: 0.169
• Weighted residual factors for all reflections: 0.526
• Weighted residual factors for significantly intense reflections: 0.4157
• Weighted residual factors for all reflections included in the refinement: 0.4642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4952
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No