Information card for entry 7224008

Structure parameters

• Formula: C53 H42 N8 Ni O21 S3 U2
• Calculated formula: C53 H40 N8 Ni O20.9999 S3 U2
• Title of publication: Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1550
• a: 13.8935 ± 0.0005 Å
• b: 14.0662 ± 0.0008 Å
• c: 18.2195 ± 0.0011 Å
• α: 108.577 ± 0.002°
• β: 110.263 ± 0.003°
• γ: 97.592 ± 0.003°
• Cell volume: 3046.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No