Information card for entry 4327196

Structure parameters

• Formula: C68 H64 N8 O3 P4 Ti
• Calculated formula: C68 H48 N8 O3 P4 Ti
• Title of publication: Synthesis and Structural Characterization of 1,2,4-Diazaphospholide Complexes of Titanium(IV) and Titanium(III)
• Authors of publication: Wenjun Zheng; Ibon Alkorta; Dongming Yang; Li Wan; Mingang Zhao; José Elguero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12408 - 12410
• a: 13.188 ± 0.003 Å
• b: 14.913 ± 0.003 Å
• c: 18.002 ± 0.003 Å
• α: 100.778 ± 0.003°
• β: 108.108 ± 0.003°
• γ: 106.802 ± 0.003°
• Cell volume: 3068.8 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1658
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No