Information card for entry 7018436

Structure parameters

• Formula: C10 H10 Cl4 I2 N2 O2 U
• Calculated formula: C10 H10 Cl4 I2 N2 O2 U
• SMILES: c1cc(I)cc[nH+]1.O=[U](Cl)(=O)(Cl)(Cl)Cl.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: 16.0625 ± 0.0011 Å
• b: 8.6269 ± 0.0006 Å
• c: 6.9848 ± 0.0005 Å
• α: 90°
• β: 102.847 ± 0.002°
• γ: 90°
• Cell volume: 943.65 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No