Information card for entry 7060677

Structure parameters

• Formula: C24 H44 N O11 S Ti2
• Calculated formula: C24 H44 N O11 S Ti2
• Title of publication: Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties
• Authors of publication: Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 10930 - 10939
• a: 11.0196 ± 0.0013 Å
• b: 11.0526 ± 0.0014 Å
• c: 13.9779 ± 0.0017 Å
• α: 80.698 ± 0.002°
• β: 84.378 ± 0.002°
• γ: 75.812 ± 0.002°
• Cell volume: 1625.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1374
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No