Information card for entry 7701405

Structure parameters

• Formula: C11 H21 N3 O11 Ti
• Calculated formula: C11 H21 N3 O11 Ti
• Title of publication: Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates
• Authors of publication: Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 6.6948 ± 0.0003 Å
• b: 7.5422 ± 0.0004 Å
• c: 16.7297 ± 0.0008 Å
• α: 83.398 ± 0.004°
• β: 85.937 ± 0.004°
• γ: 77.802 ± 0.004°
• Cell volume: 819.25 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No