Information card for entry 7704082

Structure parameters

• Formula: C16 H40 Cl6 N4 Np O6
• Calculated formula: C16 H40 Cl6 N4 Np O6
• Title of publication: Impacts of hydrogen bonding interactions with Np(v/vi)O₂Cl₄ complexes: vibrational spectroscopy, redox behavior, and computational analysis.
• Authors of publication: Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M.; Parr Iv, Daniel L.; Mason, Sara E.; Leddy, Johna; Forbes, Tori Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6854 - 6866
• a: 9.1938 ± 0.0008 Å
• b: 9.302 ± 0.001 Å
• c: 10.8819 ± 0.0011 Å
• α: 92.223 ± 0.004°
• β: 113.075 ± 0.003°
• γ: 113.397 ± 0.004°
• Cell volume: 764.66 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0197
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No