Information card for entry 7715012

Structure parameters

• Formula: C2 H12 Cl3 N6 Np O2
• Calculated formula: C2 H12 Cl3 N6 Np O2
• Title of publication: Synthesis, characterization, and density functional theory investigation of (CH₆N₃)₂[NpO₂Cl₃] and Rb[NpO₂Cl₂(H₂O)] chain structures.
• Authors of publication: Rajapaksha, Harindu; Benthin, Grant C.; Markun, Emma L.; Mason, Sara E.; Forbes, Tori Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3397 - 3406
• a: 8.6197 ± 0.0003 Å
• b: 9.7216 ± 0.0004 Å
• c: 14.5517 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1219.39 ± 0.08 ų
• Cell temperature: 136.01 K
• Ambient diffraction temperature: 136.01 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0071
• Residual factor for significantly intense reflections: 0.007
• Weighted residual factors for significantly intense reflections: 0.0174
• Weighted residual factors for all reflections included in the refinement: 0.0174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No