Information card for entry 2216731

Structure parameters

• Chemical name: Tetraaquatetraureaneodymium(III) triiodide
• Formula: C4 H24 I3 N8 Nd O8
• Calculated formula: C4 H24 I3 N8 Nd O8
• SMILES: C(N)(=[O][Nd]([OH2])([OH2])([O]=C(N)N)([O]=C(N)N)([O]=C(N)N)([OH2])[OH2])N.[I-].[I-].[I-]
• Title of publication: Tetraaquatetraureaneodymium(III) triiodide
• Authors of publication: Ludmila Yu. Alikberova; Dmitry V. Albov; Denis V. Golubev; Valery V. Kravchenko; Nataliya S. Rukk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3078 - m3078
• a: 7.7633 ± 0.0019 Å
• b: 10.597 ± 0.004 Å
• c: 15.14 ± 0.004 Å
• α: 90°
• β: 108.136 ± 0.019°
• γ: 90°
• Cell volume: 1183.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes