Information card for entry 7710645

Structure parameters

• Formula: C12 H22 Cl6 N6 O8 U2
• Calculated formula: C12 H22 Cl6 N6 O8 U2
• Title of publication: A novel symmetric pyrazine (pyz)-bridged uranyl dimer [UO2Cl3(H2O)(Pyz)0.5]22-: Synthesis, structural and computational analysis
• Authors of publication: Byrne, Nicole M.; Schofield, Mark Hopkins; Cahill, Chris
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.3929 ± 0.0003 Å
• b: 8.783 ± 0.0005 Å
• c: 12.2365 ± 0.0006 Å
• α: 70.837 ± 0.002°
• β: 73.478 ± 0.002°
• γ: 69.922 ± 0.003°
• Cell volume: 691.57 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.011
• Residual factor for significantly intense reflections: 0.0106
• Weighted residual factors for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No