Information card for entry 4133017

Structure parameters

• Formula: C32 H30 N6 O8 U
• Calculated formula: C32 H30 N6 O8 U
• SMILES: [U]123456(OC(=O)c7[n]3c(ccc7)CN(Cc3[n]4c(ccc3)C(=O)O1)CC)OC(=O)c1[n]5c(ccc1)CN(Cc1[n]6c(ccc1)C(=O)O2)CC
• Title of publication: Synthesis and Characterization of a Water Stable Uranyl(V) Complex.
• Authors of publication: Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13554 - 13557
• a: 10.3525 ± 0.0003 Å
• b: 19.8443 ± 0.0005 Å
• c: 19.8538 ± 0.0005 Å
• α: 84.793 ± 0.002°
• β: 78.643 ± 0.002°
• γ: 77.371 ± 0.002°
• Cell volume: 3897.26 ± 0.18 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No