Information card for entry 7720018

Structure parameters

• Formula: C22 H31 Cl4 N3
• Calculated formula: C22 H31 Cl4 N3
• Title of publication: Polysubstituted guanidine-based receptors for the selective extraction of pertechnetate anion from high-level waste
• Authors of publication: Leksina, Uliana; Abramov, Vladimir A.; Matveev, Petr I.; Lemport, Pavel S.; Gopin, Alexander; Glushkov, Egor D.; Lyssenko, Konstantin; Trigub, Alexander; Petrov, Vladimir G.; Ustynyuk, Yuri; Nenajdenko, Valentine
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.8314 ± 0.0004 Å
• b: 13.3665 ± 0.0006 Å
• c: 18.6866 ± 0.0009 Å
• α: 90°
• β: 91.067 ± 0.002°
• γ: 90°
• Cell volume: 2455.21 ± 0.19 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No