Information card for entry 7053089

Structure parameters

• Formula: C48 H79 Fe3 N28 O14 Th2
• Calculated formula: C48 H79 Fe3 N28 O14 Th2
• Title of publication: Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds
• Authors of publication: Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 10
• Pages of publication: 3003
• a: 9.5896 ± 0.0001 Å
• b: 13.9112 ± 0.0002 Å
• c: 16.3886 ± 0.0003 Å
• α: 109.382 ± 0.001°
• β: 94.1999 ± 0.0011°
• γ: 107.952 ± 0.0009°
• Cell volume: 1924.07 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No