Information card for entry 7707879

Structure parameters

• Formula: C25 H26 N4 O7 S2 U
• Calculated formula: C25 H26 N4 O7 S2 U
• SMILES: [U]12(Oc3ccccc3c3[nH]c4cc5nc6c(nc5cc4[n]13)cccc6)(=O)(=O)([O]=C(O2)C)[O]=S(C)C.S(C)(=O)C
• Title of publication: Comparing coordination uranyl(vi) complexes with 2-(1H-imidazo[4,5-b]phenazin-2-yl)phenol and derivatives.
• Authors of publication: Hiti, E. A.; Wilkinson, G. R.; Ariyarathna, I. R.; Tutson, C. D.; Hardy, E. E.; Maynard, B. A.; Miliordos, E.; Gorden, A. E. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11113 - 11122
• a: 8.585 ± 0.005 Å
• b: 20.419 ± 0.011 Å
• c: 16.091 ± 0.009 Å
• α: 90°
• β: 101.633 ± 0.008°
• γ: 90°
• Cell volume: 2763 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No