Information card for entry 7211432

Structure parameters

• Formula: C18 H19 Cu N5 O18 U2
• Calculated formula: C18 H19 Cu N5 O18 U2
• 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: 14.6991 ± 0.0017 Å
• b: 16.299 ± 0.002 Å
• c: 23.209 ± 0.003 Å
• α: 90°
• β: 96.525 ± 0.005°
• γ: 90°
• Cell volume: 5524.4 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No