Information card for entry 7015301

Structure parameters

• Formula: C38 H34 As2 Cl6 O4 U
• Calculated formula: C38 H34 As2 Cl6 O4 U
• SMILES: c1ccccc1[As](c1ccccc1)(=[O][U](=O)(=O)([O]=[As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.ClCCl.C(Cl)Cl
• Title of publication: Probing the local coordination environment and nuclearity of uranyl(VI) complexes in non-aqueous media by emission spectroscopy.
• Authors of publication: Redmond, Michael P.; Cornet, Stephanie M.; Woodall, Sean D.; Whittaker, Daniel; Collison, David; Helliwell, Madeleine; Natrajan, Louise S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 15
• Pages of publication: 3914 - 3926
• a: 9.736 ± 0.005 Å
• b: 15.284 ± 0.005 Å
• c: 14.026 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.671 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2044 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No