Information card for entry 7128398

Structure parameters

• Formula: H4 O7 P2 Ti
• Calculated formula: H4 O7 P2 Ti
• Title of publication: A titanium(iii) phosphite exhibits polymorph-distinct redox activity involving proton-coupled electron transfer.
• Authors of publication: Hung, Ling-I; Hsieh, Tsung-Hsiu; Syu, Jhao-Yang; Chen, Pei-Lin; Lin, Chia-Her; Wang, Sue-Lein
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 53
• Pages of publication: 6542 - 6545
• a: 7.0671 ± 0.001 Å
• b: 7.3832 ± 0.001 Å
• c: 12.0992 ± 0.0016 Å
• α: 90°
• β: 102.341 ± 0.004°
• γ: 90°
• Cell volume: 616.72 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No