Information card for entry 1565764

Structure parameters

• Formula: C32 H30 N4 O6 U
• Calculated formula: C32 H30 N4 O6 U
• SMILES: [U]12([n]3ccc(cc3)/C=C/c3ccncc3)([n]3ccc(cc3)/C=C/c3ccncc3)(=O)(=O)([O]=C(/C=C/C)O1)[O]=C(/C=C/C)O2
• Title of publication: Highly conjugated systems with pedal motion in uranyl crotonate compounds with 1,2-bis(4-pyridyl)ethylene as a neutral ligand or a counter cation
• Authors of publication: Savchenkov, Anton V.; Vologzhanina, Anna V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119089
• a: 7.5075 ± 0.0012 Å
• b: 9.1655 ± 0.0014 Å
• c: 11.1631 ± 0.0017 Å
• α: 96.608 ± 0.003°
• β: 91.184 ± 0.003°
• γ: 99.148 ± 0.003°
• Cell volume: 752.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0361
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No