Information card for entry 7211430

Structure parameters

• Formula: C23 H27 Cu N5 O12 U
• Calculated formula: C23 H27 Cu N5 O12 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: 9.1507 ± 0.0008 Å
• b: 15.0173 ± 0.0012 Å
• c: 10.8775 ± 0.0009 Å
• α: 90°
• β: 102.155 ± 0.003°
• γ: 90°
• Cell volume: 1461.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No