Information card for entry 7018437

Structure parameters

• Formula: C10 H10 Br4 Cl2 N2 O2 U
• Calculated formula: C10 H10 Br4 Cl2 N2 O2 U
• SMILES: c1c[nH+]ccc1Cl.O=[U](=O)(Br)(Br)(Br)Br.c1cc(cc[nH+]1)Cl
• Title of publication: Utilizing hydrogen bonds and halogen-halogen interactions in the design of uranyl hybrid materials.
• Authors of publication: Andrews, Michael B.; Cahill, Christopher L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 3911 - 3914
• a: 7.1299 ± 0.0001 Å
• b: 8.1429 ± 0.0002 Å
• c: 9.2897 ± 0.0002 Å
• α: 89.208 ± 0.001°
• β: 73.853 ± 0.001°
• γ: 71.952 ± 0.001°
• Cell volume: 491.028 ± 0.018 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No