Information card for entry 7024860

Structure parameters

• Formula: C55 H66 K N8 O5.5 U
• Calculated formula: C55 H66 K N8 O5.5 U
• Title of publication: Equatorial ligand substitution by hydroxide in uranyl Pacman complexes of a Schiff-base pyrrole macrocycle.
• Authors of publication: Arnold, Polly L.; Patel, Dipti; Pécharman, Anne-Frédérique; Wilson, Claire; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3501 - 3508
• a: 22.7824 ± 0.0011 Å
• b: 23.0693 ± 0.001 Å
• c: 10.9145 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5736.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1384
• 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