Information card for entry 2004620

Structure parameters

• Common name: neptunocene
• Chemical name: Bis(cyclooctatetraenyl)neptunium(IV)
• Formula: C16 H16 Np
• Calculated formula: C16 H16 Np
• SMILES: [CH]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]1[Np]19%10%11%12%13%142345678[CH]2=[CH]1[CH]%10=[CH]%12[CH]%14=[CH]%13[CH]%11=[CH]92
• Title of publication: Bis(cyclooctatetraenyl)neptunium(IV)
• Authors of publication: De Ridder, D. J. A.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.; Dornberger, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 597 - 600
• a: 7.124 ± 0.004 Å
• b: 8.687 ± 0.003 Å
• c: 10.6064 ± 0.0013 Å
• α: 90°
• β: 98.85 ± 0.04°
• γ: 90°
• Cell volume: 648.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.054
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections: 0
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes