Information card for entry 7244461

Structure parameters

• Chemical name: poly[[decakis[2-(1,2,4-triazol-4-yl)acetato)]-hexasilver(I)] bis- [dioxouranium(VI)] Heptahydrate]
• Formula: C40 H54 Ag6 N30 O31 U2
• Calculated formula: C40 H40 Ag6 N30 O31 U2
• Title of publication: 1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers
• Authors of publication: Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.5892 ± 0.001 Å
• b: 15.8614 ± 0.0012 Å
• c: 22.064 ± 0.002 Å
• α: 90°
• β: 94.822 ± 0.008°
• γ: 90°
• Cell volume: 3344 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1012
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No