Information card for entry 7049653

Structure parameters

• Formula: C32 H44 Cu N4 O18 S2 U2
• Calculated formula: C32 H44 Cu N4 O18 S2 U2
• Title of publication: The sulfonate group as a ligand: a fine balance between hydrogen bonding and metal ion coordination in uranyl ion complexes.
• Authors of publication: Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8756 - 8772
• a: 11.3508 ± 0.0008 Å
• b: 13.7624 ± 0.0005 Å
• c: 14.1862 ± 0.0009 Å
• α: 90°
• β: 103.615 ± 0.003°
• γ: 90°
• Cell volume: 2153.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No