Information card for entry 4328652

Structure parameters

• Formula: C51 H119 N4 O10 P8 Ti2
• Calculated formula: C51 H119 N4 O10 P8 Ti2
• Title of publication: Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand
• Authors of publication: Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3640 - 3647
• a: 13.5594 ± 0.0005 Å
• b: 23.8906 ± 0.0006 Å
• c: 21.9309 ± 0.0006 Å
• α: 90°
• β: 92.523 ± 0.003°
• γ: 90°
• Cell volume: 7097.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No