Information card for entry 7106378

Structure parameters

• Formula: C35 H35 I2 K N7 Np O2
• Calculated formula: C35 H35 I2 K N7 Np O2
• SMILES: c1cccc[n]1[Np]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(=O)=O.[K](I)(I)([n]1ccccc1)[n]1ccccc1
• Title of publication: A versatile precursor for non-aqueous neptunyl(V) chemistry
• Authors of publication: Roy Copping; Victor Mougel; Sebastien Petit; Christophe Den Auwer; Philippe Moisy; Marinella Mazzanti
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5497
• a: 12.8718 ± 0.0011 Å
• b: 19.2117 ± 0.0017 Å
• c: 16.0401 ± 0.0014 Å
• α: 90°
• β: 100.612 ± 0.001°
• γ: 90°
• Cell volume: 3898.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.019
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No