Information card for entry 7706816

Structure parameters

• Formula: C14 H4 Cl21 Cs3 O17 U
• Calculated formula: C14 H4 Cl21 Cs3 O17 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: 13.7304 ± 0.0004 Å
• b: 13.8612 ± 0.0004 Å
• c: 24.7926 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4718.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No