Information card for entry 7211431

Structure parameters

• Formula: C48 H51 Cu2 N9 O19 U
• Calculated formula: C48 H51 Cu2 N9 O19 U
• Title of publication: Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)–uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds
• Authors of publication: Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10374
• a: 14.195 ± 0.0015 Å
• b: 14.5483 ± 0.0015 Å
• c: 15.8562 ± 0.0016 Å
• α: 64.927 ± 0.004°
• β: 74.116 ± 0.004°
• γ: 63.15 ± 0.004°
• Cell volume: 2632.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No