Information card for entry 7060678

Structure parameters

• Formula: C56 H90 O26 P2 Ti6
• Calculated formula: C56 H90 O26 P2 Ti6
• 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: 20.766 ± 0.0003 Å
• b: 13.94118 ± 0.00018 Å
• c: 24.7923 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7177.43 ± 0.16 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No