Information card for entry 4309783

Structure parameters

• Formula: C38 H36 Cl6 N2 O2 P2 U
• Calculated formula: C38 H36 Cl6 N2 O2 P2 U
• SMILES: O=[U]([NH]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([NH]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Preference for Nitrogen versus Oxygen Donor Coordination in Uranyl- and Neptunyl(VI) Complexes
• Authors of publication: Mark J. Sarsfield; Iain May; Stephanie M. Cornet; Madeleine Helliwell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7310 - 7312
• a: 9.7149 ± 0.0006 Å
• b: 11.3826 ± 0.0007 Å
• c: 19.0621 ± 0.0011 Å
• α: 90°
• β: 102.725 ± 0.001°
• γ: 90°
• Cell volume: 2056.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0177
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No