Information card for entry 7719898

Structure parameters

• Formula: C13 H16 N2 O8 Re2
• Calculated formula: C13 H16 N2 O8 Re2
• Title of publication: Novel hydrophilic cationic receptors for binding pertechnetate anion in aqueous solutions. Quantum-chemical modeling, synthesis, structure and properties
• Authors of publication: Ustynyuk, Yuri; Gloriozov, Igor P.; Sizova, Zoia; Zhokhova, Nelly; Leksina, Uliana; Fominykh, Anna; Matveev, Petr I.; Petrov, Vladimir G.; Tafeenko, Viktor; Gopin, Alexander; Nenajdenko, Valentine
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 12.7103 ± 0.0005 Å
• b: 12.843 ± 0.0005 Å
• c: 10.822 ± 0.0004 Å
• α: 90°
• β: 90.59 ± 0.004°
• γ: 90°
• Cell volume: 1766.47 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.048
• 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