Information card for entry 7232517

Structure parameters

• Formula: C16 H17 F3 N3 O2 P
• Calculated formula: C16 H17 F3 N3 O2 P
• Title of publication: The (CF3C(O)NH)(C6H5CH2NH)2P(O) phosphoric triamide as a novel carrier with excellent efficiency for Cu(ii) in a liquid membrane transport system
• Authors of publication: Akbari, Setareh; Khoshnood, Razieh Sanavi; Ahmadabad, Fatemeh Karimi; Pourayoubi, Mehrdad; Dušek, Michal; Shchegravina, Ekaterina S.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 9153
• a: 4.9698 ± 0.0001 Å
• b: 9.7925 ± 0.0003 Å
• c: 34.4713 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.61 ± 0.08 ų
• Cell temperature: 119.9 ± 0.6 K
• Ambient diffraction temperature: 119.9 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No