Information card for entry 7018439

Structure parameters

• Formula: C10 H10 Br4 I2 N2 O2 U
• Calculated formula: C10 H10 Br4 I2 N2 O2 U
• SMILES: Ic1cc[nH+]cc1.O=[U](Br)(Br)(=O)(Br)Br.c1cc(cc[nH+]1)I
• 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: 7.8092 ± 0.0003 Å
• b: 8.4706 ± 0.0003 Å
• c: 8.8452 ± 0.0003 Å
• α: 87.171 ± 0.001°
• β: 70.308 ± 0.001°
• γ: 71.225 ± 0.001°
• Cell volume: 520.42 ± 0.03 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: 0.0512
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No