Information card for entry 7023333

Structure parameters

• Formula: C15 H35 Cl2 N5 O15 U
• Calculated formula: C15 H35 Cl2 N5 O15 U
• SMILES: [U](=O)(=O)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Uranyl-halide complexation in N,N-dimethylformamide: halide coordination trend manifests hardness of [UO2]2+.
• Authors of publication: Takao, Koichiro; Takao, Shinobu; Ikeda, Yasuhisa; Bernhard, Gert; Hennig, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13101 - 13111
• a: 21.4665 ± 0.0007 Å
• b: 13.2801 ± 0.0005 Å
• c: 11.3188 ± 0.0004 Å
• α: 90°
• β: 112.445 ± 0.001°
• γ: 90°
• Cell volume: 2982.3 ± 0.18 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No