Information card for entry 7706813

Structure parameters

• Formula: C12 H2 Cl18 K2 O14 U
• Calculated formula: C12 H2 Cl17.997 K2 O14 U
• Title of publication: Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.
• Authors of publication: Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4210 - 4218
• a: 17.7904 ± 0.0013 Å
• b: 9.2811 ± 0.0007 Å
• c: 24.12 ± 0.0017 Å
• α: 90°
• β: 93.89 ± 0.004°
• γ: 90°
• Cell volume: 3973.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No